1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dimethyl-2H-imidazol-2-ylium;1-(5-tert-butyl-2-methylphenyl)-3-(2,5-dimethylphenyl)-4-(4-methoxyphenyl)-5-(4-methylphenyl)-2H-imidazol-2-ylium;carbanide;tris(dichlororuthenium);4,5-dimethyl-1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ylium;tris(1-methyl-4-propan-2-ylbenzene)

C121H160Cl6N6ORu3 — CID 158078608

About 1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dimethyl-2H-imidazol-2-ylium;1-(5-tert-butyl-2-methylphenyl)-3-(2,5-dimethylphenyl)-4-(4-methoxyphenyl)-5-(4-methylphenyl)-2H-imidazol-2-ylium;carbanide;tris(dichlororuthenium);4,5-dimethyl-1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ylium;tris(1-methyl-4-propan-2-ylbenzene)

1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dimethyl-2H-imidazol-2-ylium;1-(5-tert-butyl-2-methylphenyl)-3-(2,5-dimethylphenyl)-4-(4-methoxyphenyl)-5-(4-methylphenyl)-2H-imidazol-2-ylium;carbanide;tris(dichlororuthenium);4,5-dimethyl-1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ylium;tris(1-methyl-4-propan-2-ylbenzene) (PubChem CID 158078608) has the molecular formula C121H160Cl6N6ORu3 and a molecular weight of 2230.58 g/mol. Its IUPAC name is 1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dimethyl-2H-imidazol-2-ylium;1-(5-tert-butyl-2-methylphenyl)-3-(2,5-dimethylphenyl)-4-(4-methoxyphenyl)-5-(4-methylphenyl)-2H-imidazol-2-ylium;carbanide;tris(dichlororuthenium);4,5-dimethyl-1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ylium;tris(1-methyl-4-propan-2-ylbenzene).

Molecular Properties

• Compound Name: 1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dimethyl-2H-imidazol-2-ylium;1-(5-tert-butyl-2-methylphenyl)-3-(2,5-dimethylphenyl)-4-(4-methoxyphenyl)-5-(4-methylphenyl)-2H-imidazol-2-ylium;carbanide;tris(dichlororuthenium);4,5-dimethyl-1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ylium;tris(1-methyl-4-propan-2-ylbenzene)
• PubChem CID: 158078608
• Molecular Formula: C121H160Cl6N6ORu3
• Molecular Weight: 2230.58 g/mol
• Exact Mass: 2228.79
• IUPAC Name: 1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dimethyl-2H-imidazol-2-ylium;1-(5-tert-butyl-2-methylphenyl)-3-(2,5-dimethylphenyl)-4-(4-methoxyphenyl)-5-(4-methylphenyl)-2H-imidazol-2-ylium;carbanide;tris(dichlororuthenium);4,5-dimethyl-1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ylium;tris(1-methyl-4-propan-2-ylbenzene)
• SMILES: COc1ccc(-c2c(-c3ccc(C)cc3)n(-c3cc(C(C)(C)C)ccc3C)[cH+]n2-c2cc(C)ccc2C)cc1.Cc1c(C)n(-c2c(C(C)C)cccc2C(C)C)[cH+]n1-c1c(C(C)C)cccc1C(C)C.Cc1cc(C)c(-n2[cH+]n(-c3c(C)cc(C)cc3C)c(C)c2C)c(C)c1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cl[Ru]Cl.Cl[Ru]Cl.Cl[Ru]Cl.[CH3-].[CH3-].[CH3-]
• InChI: InChI=1S/C36H39N2O.C29H41N2.C23H29N2.3C10H14.3CH3.6ClH.3Ru/c1-24-10-14-28(15-11-24)34-35(29-16-19-31(39-8)20-17-29)37(32-21-25(2)9-12-26(32)3)23-38(34)33-22-30(36(5,6)7)18-13-27(33)4;1-18(2)24-13-11-14-25(19(3)4)28(24)30-17-31(23(10)22(30)9)29-26(20(5)6)15-12-16-27(29)21(7)8;1-14-9-16(3)22(17(4)10-14)24-13-25(21(8)20(24)7)23-18(5)11-15(2)12-19(23)6;3*1-8(2)10-6-4-9(3)5-7-10;;;;;;;;;;;;/h9-23H,1-8H3;11-21H,1-10H3;9-13H,1-8H3;3*4-8H,1-3H3;3*1H3;6*1H;;;/q3*+1;;;;3*-1;;;;;;;3*+2/p-6
• InChIKey: YXTLSOKOLJIGKX-UHFFFAOYSA-H
• XLogP: 38.93
• TPSA: 38.81 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 16
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2230.58
LogP ≤ 5	38.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dimethyl-2H-imidazol-2-ylium;1-(5-tert-butyl-2-methylphenyl)-3-(2,5-dimethylphenyl)-4-(4-methoxyphenyl)-5-(4-methylphenyl)-2H-imidazol-2-ylium;carbanide;tris(dichlororuthenium);4,5-dimethyl-1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ylium;tris(1-methyl-4-propan-2-ylbenzene)?

The IUPAC name of 1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dimethyl-2H-imidazol-2-ylium;1-(5-tert-butyl-2-methylphenyl)-3-(2,5-dimethylphenyl)-4-(4-methoxyphenyl)-5-(4-methylphenyl)-2H-imidazol-2-ylium;carbanide;tris(dichlororuthenium);4,5-dimethyl-1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ylium;tris(1-methyl-4-propan-2-ylbenzene) (CID 158078608) is 1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dimethyl-2H-imidazol-2-ylium;1-(5-tert-butyl-2-methylphenyl)-3-(2,5-dimethylphenyl)-4-(4-methoxyphenyl)-5-(4-methylphenyl)-2H-imidazol-2-ylium;carbanide;tris(dichlororuthenium);4,5-dimethyl-1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ylium;tris(1-methyl-4-propan-2-ylbenzene).

What is the SMILES notation for 1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dimethyl-2H-imidazol-2-ylium;1-(5-tert-butyl-2-methylphenyl)-3-(2,5-dimethylphenyl)-4-(4-methoxyphenyl)-5-(4-methylphenyl)-2H-imidazol-2-ylium;carbanide;tris(dichlororuthenium);4,5-dimethyl-1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ylium;tris(1-methyl-4-propan-2-ylbenzene)?

The canonical SMILES for 1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dimethyl-2H-imidazol-2-ylium;1-(5-tert-butyl-2-methylphenyl)-3-(2,5-dimethylphenyl)-4-(4-methoxyphenyl)-5-(4-methylphenyl)-2H-imidazol-2-ylium;carbanide;tris(dichlororuthenium);4,5-dimethyl-1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ylium;tris(1-methyl-4-propan-2-ylbenzene) is COc1ccc(-c2c(-c3ccc(C)cc3)n(-c3cc(C(C)(C)C)ccc3C)[cH+]n2-c2cc(C)ccc2C)cc1.Cc1c(C)n(-c2c(C(C)C)cccc2C(C)C)[cH+]n1-c1c(C(C)C)cccc1C(C)C.Cc1cc(C)c(-n2[cH+]n(-c3c(C)cc(C)cc3C)c(C)c2C)c(C)c1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cl[Ru]Cl.Cl[Ru]Cl.Cl[Ru]Cl.[CH3-].[CH3-].[CH3-].

What is the InChIKey of 1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dimethyl-2H-imidazol-2-ylium;1-(5-tert-butyl-2-methylphenyl)-3-(2,5-dimethylphenyl)-4-(4-methoxyphenyl)-5-(4-methylphenyl)-2H-imidazol-2-ylium;carbanide;tris(dichlororuthenium);4,5-dimethyl-1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ylium;tris(1-methyl-4-propan-2-ylbenzene)?

The InChIKey is YXTLSOKOLJIGKX-UHFFFAOYSA-H. The full InChI is InChI=1S/C36H39N2O.C29H41N2.C23H29N2.3C10H14.3CH3.6ClH.3Ru/c1-24-10-14-28(15-11-24)34-35(29-16-19-31(39-8)20-17-29)37(32-21-25(2)9-12-26(32)3)23-38(34)33-22-30(36(5,6)7)18-13-27(33)4;1-18(2)24-13-11-14-25(19(3)4)28(24)30-17-31(23(10)22(30)9)29-26(20(5)6)15-12-16-27(29)21(7)8;1-14-9-16(3)22(17(4)10-14)24-13-25(21(8)20(24)7)23-18(5)11-15(2)12-19(23)6;3*1-8(2)10-6-4-9(3)5-7-10;;;;;;;;;;;;/h9-23H,1-8H3;11-21H,1-10H3;9-13H,1-8H3;3*4-8H,1-3H3;3*1H3;6*1H;;;/q3*+1;;;;3*-1;;;;;;;3*+2/p-6.

What are the key properties of 1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dimethyl-2H-imidazol-2-ylium;1-(5-tert-butyl-2-methylphenyl)-3-(2,5-dimethylphenyl)-4-(4-methoxyphenyl)-5-(4-methylphenyl)-2H-imidazol-2-ylium;carbanide;tris(dichlororuthenium);4,5-dimethyl-1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ylium;tris(1-methyl-4-propan-2-ylbenzene)?

1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dimethyl-2H-imidazol-2-ylium;1-(5-tert-butyl-2-methylphenyl)-3-(2,5-dimethylphenyl)-4-(4-methoxyphenyl)-5-(4-methylphenyl)-2H-imidazol-2-ylium;carbanide;tris(dichlororuthenium);4,5-dimethyl-1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ylium;tris(1-methyl-4-propan-2-ylbenzene) has a molecular weight of 2230.58 g/mol, XLogP of 38.93, 16 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dimethyl-2H-imidazol-2-ylium;1-(5-tert-butyl-2-methylphenyl)-3-(2,5-dimethylphenyl)-4-(4-methoxyphenyl)-5-(4-methylphenyl)-2H-imidazol-2-ylium;carbanide;tris(dichlororuthenium);4,5-dimethyl-1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ylium;tris(1-methyl-4-propan-2-ylbenzene) is sourced from PubChem (CID 158078608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).