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Ruthenium,[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)(tricyclohexylphosphine)-,(SP-5-41)- (246047-72-3)

Identification
Name:Ruthenium,[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)(tricyclohexylphosphine)-,(SP-5-41)-
Synonyms:(1,3-Dimesitylimidazolidin-2-ylidene)(tricyclohexylphosphine)benzylideneruthenium dichloride;(1,3-Dimesitylimidazolin-2-ylidene)(tricyclohexylphosphine)rutheniumdichloride;Benzylidene(1,3-dimesitylimidazolidin-2-ylidene)(tricyclohexylphosphine)rutheniumdichloride;Benzylidenedichloro(1,3-dimesitylimidazolidin-2-ylidene)(tricyclohexylphosphine)ruthenium;Grubbs Catalyst 2nd. generation;Grubbs II catalyst;Grubbs-Herrmann catalyst;Grubbs'Ru-dihydroimidazolylidene catalyst;Second generation Grubbs catalyst;[1,3-Bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)(tricyclohexylphosphine)ruthenium;
CAS:246047-72-3
Molecular Formula: C46H65Cl2N2PRu
Molecular Weight: 848.97
Molecular Structure: (C46H65Cl2N2PRu) (1,3-Dimesitylimidazolidin-2-ylidene)(tricyclohexylphosphine)benzylideneruthenium dichloride;(1,3-Di...
Properties
Melting Point: 143-149 oC
Appearance:pink-brown to red-purple crystals or powder
Specification:

The CAS register number of Grubbs Catalyst 2nd Generation is 246047-72-3. It also can be called as 1,3-Bis(2,4,6-trimethylphenyl)-2-(imidazolidinylidene)(dichlorophenylmethylene)(tricyclohexylphosphine)ruthenium and the IUPAC name about this chemical is benzylidene-[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]-dichlororuthenium; tricyclohexylphosphanium. The molecular formula about this chemical is C46H65Cl2N2PRu and the molecular weight is 848.97.

Physical properties about Grubbs Catalyst 2nd Generation are: (1)#H bond acceptors: 2; (2)#Freely Rotating Bonds: 6; (3)Polar Surface Area: 16.29Å2; (4)H-Bond Acceptor: 2; (5)Rotatable Bond Count: 6; (6)Exact Mass: 849.338417; (7)MonoIsotopic Mass: 849.338417; (8)Topological Polar Surface Area: 6.5; (9)Heavy Atom Count: 52; (10)Formal Charge: 1; (11)Complexity: 1090; (12)Covalently-Bonded Unit Count: 2.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1cc(c(c(c1)C)N2CCN(C2=[Ru](=Cc3ccccc3)(=P(C4CCCCC4)(C5CCCCC5)C6CCCCC6)(Cl)Cl)c7c(cc(cc7C)C)C)C
(2)InChI: InChI=1/C21H26N2.C18H33P.C7H6.2ClH.Ru/c1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-7-5-3-2-4-6-7;;;/h9-12H,7-8H2,1-6H3;16-18H,1-15H2;1-6H;2*1H;/q;;;;;+2/p-2/rC46H65Cl2N2PRu/c1-34-29-36(3)44(37(4)30-34)49-27-28-50(45-38(5)31-35(2)32-39(45)6)46(49)52(47,48,33-40-19-11-7-12-20-40)51(41-21-13-8-14-22-41,42-23-15-9-16-24-42)43-25-17-10-18-26-43/h7,11-12,19-20,29-33,41-43H,8-10,13-18,21-28H2,1-6H3
(3)InChIKey: FCDPQMAOJARMTG-IPDLWRNEA
(4)Std. InChI: InChI=1S/C21H26N2.C18H33P.C7H6.2ClH.Ru/c1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-7-5-3-2-4-6-7;;;/h9-12H,7-8H2,1-6H3;16-18H,1-15H2;1-6H;2*1H;/q;;;;;+2/p-2
(5)Std. InChIKey: FCDPQMAOJARMTG-UHFFFAOYSA-L

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