1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dihydroimidazole-1,3-diium;1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);cyclohexylphosphane;dichloro-[3-(1-methylidenepyridin-1-ium-2-id-2-yl)propylidene]ruthenium;tris(dichloro-(3-phenylinden-1-ylidene)ruthenium);bis(dichloro(phenylsulfanylmethylidene)ruthenium);tris(dicyclohexylphosphane);bis(tricyclohexylphosphanium)

C242H333Cl12N9P7Ru6S2+ — CID 157080450

About 1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dihydroimidazole-1,3-diium;1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);cyclohexylphosphane;dichloro-[3-(1-methylidenepyridin-1-ium-2-id-2-yl)propylidene]ruthenium;tris(dichloro-(3-phenylinden-1-ylidene)ruthenium);bis(dichloro(phenylsulfanylmethylidene)ruthenium);tris(dicyclohexylphosphane);bis(tricyclohexylphosphanium)

1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dihydroimidazole-1,3-diium;1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);cyclohexylphosphane;dichloro-[3-(1-methylidenepyridin-1-ium-2-id-2-yl)propylidene]ruthenium;tris(dichloro-(3-phenylinden-1-ylidene)ruthenium);bis(dichloro(phenylsulfanylmethylidene)ruthenium);tris(dicyclohexylphosphane);bis(tricyclohexylphosphanium) (PubChem CID 157080450) has the molecular formula C242H333Cl12N9P7Ru6S2+ and a molecular weight of 4681.20 g/mol. Its IUPAC name is 1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dihydroimidazole-1,3-diium;1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);cyclohexylphosphane;dichloro-[3-(1-methylidenepyridin-1-ium-2-id-2-yl)propylidene]ruthenium;tris(dichloro-(3-phenylinden-1-ylidene)ruthenium);bis(dichloro(phenylsulfanylmethylidene)ruthenium);tris(dicyclohexylphosphane);bis(tricyclohexylphosphanium).

Molecular Properties

• Compound Name: 1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dihydroimidazole-1,3-diium;1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);cyclohexylphosphane;dichloro-[3-(1-methylidenepyridin-1-ium-2-id-2-yl)propylidene]ruthenium;tris(dichloro-(3-phenylinden-1-ylidene)ruthenium);bis(dichloro(phenylsulfanylmethylidene)ruthenium);tris(dicyclohexylphosphane);bis(tricyclohexylphosphanium)
• PubChem CID: 157080450
• Molecular Formula: C242H333Cl12N9P7Ru6S2+
• Molecular Weight: 4681.20 g/mol
• Exact Mass: 4677.45
• IUPAC Name: 1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dihydroimidazole-1,3-diium;1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);cyclohexylphosphane;dichloro-[3-(1-methylidenepyridin-1-ium-2-id-2-yl)propylidene]ruthenium;tris(dichloro-(3-phenylinden-1-ylidene)ruthenium);bis(dichloro(phenylsulfanylmethylidene)ruthenium);tris(dicyclohexylphosphane);bis(tricyclohexylphosphanium)
• SMILES: C1CCC(PC2CCCCC2)CC1.C1CCC(PC2CCCCC2)CC1.C1CCC(PC2CCCCC2)CC1.C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.C=[N+]1C=CC=C[C-]1CCC=[Ru](Cl)Cl.CC(C)c1cccc(C(C)C)c1[N+]1=C=[N+](c2c(C(C)C)cccc2C(C)C)CC1.Cc1cc(C)c(N2C=CN(c3c(C)cc(C)cc3C)[CH-]2)c(C)c1.Cc1cc(C)c(N2[CH-]N(c3c(C)cc(C)cc3C)CC2)c(C)c1.Cc1cc(C)c(N2[CH-]N(c3c(C)cc(C)cc3C)CC2)c(C)c1.Cl[Ru](Cl)=C1C=C(c2ccccc2)c2ccccc21.Cl[Ru](Cl)=C1C=C(c2ccccc2)c2ccccc21.Cl[Ru](Cl)=C1C=C(c2ccccc2)c2ccccc21.Cl[Ru](Cl)=CSc1ccccc1.Cl[Ru](Cl)=CSc1ccccc1.PC1CCCCC1.PC1CCCCC1
• InChI: InChI=1S/C27H38N2.2C21H27N2.C21H25N2.2C18H33P.3C15H10.3C12H23P.C9H11N.2C7H6S.2C6H13P.12ClH.6Ru/c1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8;3*1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;3*1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)15;3*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-3-6-9-7-4-5-8-10(9)2;2*1-8-7-5-3-2-4-6-7;2*7-6-4-2-1-3-5-6;;;;;;;;;;;;;;;;;;/h9-14,18-21H,15-16H2,1-8H3;2*9-13H,7-8H2,1-6H3;7-13H,1-6H3;2*16-18H,1-15H2;3*1-9,11H;3*11-13H,1-10H2;1,4-5,7-8H,2-3,6H2;2*1-6H;2*6H,1-5,7H2;12*1H;;;;;;/q+2;3*-1;;;;;;;;;;;;;;;;;;;;;;;;;;6*+2/p-10
• InChIKey: UYJBQWWRNSAIMX-UHFFFAOYSA-D
• XLogP: 76.04
• TPSA: 28.47 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 34
• Heavy Atoms: 278
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	4681.20
LogP ≤ 5	76.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dihydroimidazole-1,3-diium;1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);cyclohexylphosphane;dichloro-[3-(1-methylidenepyridin-1-ium-2-id-2-yl)propylidene]ruthenium;tris(dichloro-(3-phenylinden-1-ylidene)ruthenium);bis(dichloro(phenylsulfanylmethylidene)ruthenium);tris(dicyclohexylphosphane);bis(tricyclohexylphosphanium)?

The IUPAC name of 1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dihydroimidazole-1,3-diium;1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);cyclohexylphosphane;dichloro-[3-(1-methylidenepyridin-1-ium-2-id-2-yl)propylidene]ruthenium;tris(dichloro-(3-phenylinden-1-ylidene)ruthenium);bis(dichloro(phenylsulfanylmethylidene)ruthenium);tris(dicyclohexylphosphane);bis(tricyclohexylphosphanium) (CID 157080450) is 1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dihydroimidazole-1,3-diium;1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);cyclohexylphosphane;dichloro-[3-(1-methylidenepyridin-1-ium-2-id-2-yl)propylidene]ruthenium;tris(dichloro-(3-phenylinden-1-ylidene)ruthenium);bis(dichloro(phenylsulfanylmethylidene)ruthenium);tris(dicyclohexylphosphane);bis(tricyclohexylphosphanium).

What is the SMILES notation for 1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dihydroimidazole-1,3-diium;1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);cyclohexylphosphane;dichloro-[3-(1-methylidenepyridin-1-ium-2-id-2-yl)propylidene]ruthenium;tris(dichloro-(3-phenylinden-1-ylidene)ruthenium);bis(dichloro(phenylsulfanylmethylidene)ruthenium);tris(dicyclohexylphosphane);bis(tricyclohexylphosphanium)?

The canonical SMILES for 1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dihydroimidazole-1,3-diium;1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);cyclohexylphosphane;dichloro-[3-(1-methylidenepyridin-1-ium-2-id-2-yl)propylidene]ruthenium;tris(dichloro-(3-phenylinden-1-ylidene)ruthenium);bis(dichloro(phenylsulfanylmethylidene)ruthenium);tris(dicyclohexylphosphane);bis(tricyclohexylphosphanium) is C1CCC(PC2CCCCC2)CC1.C1CCC(PC2CCCCC2)CC1.C1CCC(PC2CCCCC2)CC1.C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.C=[N+]1C=CC=C[C-]1CCC=[Ru](Cl)Cl.CC(C)c1cccc(C(C)C)c1[N+]1=C=[N+](c2c(C(C)C)cccc2C(C)C)CC1.Cc1cc(C)c(N2C=CN(c3c(C)cc(C)cc3C)[CH-]2)c(C)c1.Cc1cc(C)c(N2[CH-]N(c3c(C)cc(C)cc3C)CC2)c(C)c1.Cc1cc(C)c(N2[CH-]N(c3c(C)cc(C)cc3C)CC2)c(C)c1.Cl[Ru](Cl)=C1C=C(c2ccccc2)c2ccccc21.Cl[Ru](Cl)=C1C=C(c2ccccc2)c2ccccc21.Cl[Ru](Cl)=C1C=C(c2ccccc2)c2ccccc21.Cl[Ru](Cl)=CSc1ccccc1.Cl[Ru](Cl)=CSc1ccccc1.PC1CCCCC1.PC1CCCCC1.

What is the InChIKey of 1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dihydroimidazole-1,3-diium;1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);cyclohexylphosphane;dichloro-[3-(1-methylidenepyridin-1-ium-2-id-2-yl)propylidene]ruthenium;tris(dichloro-(3-phenylinden-1-ylidene)ruthenium);bis(dichloro(phenylsulfanylmethylidene)ruthenium);tris(dicyclohexylphosphane);bis(tricyclohexylphosphanium)?

The InChIKey is UYJBQWWRNSAIMX-UHFFFAOYSA-D. The full InChI is InChI=1S/C27H38N2.2C21H27N2.C21H25N2.2C18H33P.3C15H10.3C12H23P.C9H11N.2C7H6S.2C6H13P.12ClH.6Ru/c1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8;3*1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;3*1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)15;3*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-3-6-9-7-4-5-8-10(9)2;2*1-8-7-5-3-2-4-6-7;2*7-6-4-2-1-3-5-6;;;;;;;;;;;;;;;;;;/h9-14,18-21H,15-16H2,1-8H3;2*9-13H,7-8H2,1-6H3;7-13H,1-6H3;2*16-18H,1-15H2;3*1-9,11H;3*11-13H,1-10H2;1,4-5,7-8H,2-3,6H2;2*1-6H;2*6H,1-5,7H2;12*1H;;;;;;/q+2;3*-1;;;;;;;;;;;;;;;;;;;;;;;;;;6*+2/p-10.

What are the key properties of 1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dihydroimidazole-1,3-diium;1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);cyclohexylphosphane;dichloro-[3-(1-methylidenepyridin-1-ium-2-id-2-yl)propylidene]ruthenium;tris(dichloro-(3-phenylinden-1-ylidene)ruthenium);bis(dichloro(phenylsulfanylmethylidene)ruthenium);tris(dicyclohexylphosphane);bis(tricyclohexylphosphanium)?

1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dihydroimidazole-1,3-diium;1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);cyclohexylphosphane;dichloro-[3-(1-methylidenepyridin-1-ium-2-id-2-yl)propylidene]ruthenium;tris(dichloro-(3-phenylinden-1-ylidene)ruthenium);bis(dichloro(phenylsulfanylmethylidene)ruthenium);tris(dicyclohexylphosphane);bis(tricyclohexylphosphanium) has a molecular weight of 4681.20 g/mol, XLogP of 76.04, 34 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dihydroimidazole-1,3-diium;1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);cyclohexylphosphane;dichloro-[3-(1-methylidenepyridin-1-ium-2-id-2-yl)propylidene]ruthenium;tris(dichloro-(3-phenylinden-1-ylidene)ruthenium);bis(dichloro(phenylsulfanylmethylidene)ruthenium);tris(dicyclohexylphosphane);bis(tricyclohexylphosphanium) is sourced from PubChem (CID 157080450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).