1-methyl-3-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide;platinum(4+);pyrido[3,4-b]indol-9-ide

C42H36N6Pt — CID 155650630

IUPAC1-methyl-3-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide;platinum(4+);pyrido[3,4-b]indol-9-ide
SMILESCc1cc(C)c(-c2cc(N3[CH-]N(C)c4ccccc43)[c-]c(N3[CH-]N(C)c4ccccc43)c2)c(C)c1.[Pt+4].c1ccc2c(c1)[n-]c1cnccc12
InChIInChI=1S/C31H29N4.C11H7N2.Pt/c1-21-14-22(2)31(23(3)15-21)24-16-25(34-19-32(4)27-10-6-8-12-29(27)34)18-26(17-24)35-20-33(5)28-11-7-9-13-30(28)35;1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10;/h6-17,19-20H,1-5H3;1-7H;/q-3;-1;+4
InChIKeyGEKOPJFCFPNBSS-UHFFFAOYSA-N
MW819.87 g/mol
LogP9.84
Rot. Bonds3

About 1-methyl-3-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide;platinum(4+);pyrido[3,4-b]indol-9-ide

1-methyl-3-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide;platinum(4+);pyrido[3,4-b]indol-9-ide (PubChem CID 155650630) has the molecular formula C42H36N6Pt and a molecular weight of 819.87 g/mol. Its IUPAC name is 1-methyl-3-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide;platinum(4+);pyrido[3,4-b]indol-9-ide.

Molecular Properties

Compound Name1-methyl-3-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide;platinum(4+);pyrido[3,4-b]indol-9-ide
PubChem CID155650630
Molecular FormulaC42H36N6Pt
Molecular Weight819.87 g/mol
Exact Mass819.26
IUPAC Name1-methyl-3-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide;platinum(4+);pyrido[3,4-b]indol-9-ide
SMILESCc1cc(C)c(-c2cc(N3[CH-]N(C)c4ccccc43)[c-]c(N3[CH-]N(C)c4ccccc43)c2)c(C)c1.[Pt+4].c1ccc2c(c1)[n-]c1cnccc12
InChIInChI=1S/C31H29N4.C11H7N2.Pt/c1-21-14-22(2)31(23(3)15-21)24-16-25(34-19-32(4)27-10-6-8-12-29(27)34)18-26(17-24)35-20-33(5)28-11-7-9-13-30(28)35;1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10;/h6-17,19-20H,1-5H3;1-7H;/q-3;-1;+4
InChIKeyGEKOPJFCFPNBSS-UHFFFAOYSA-N
XLogP9.84
TPSA39.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500819.87
LogP ≤ 59.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3,6-bis(trifluoromethyl)carbazol-9-ide;bis(platinum(4+));pyrido[3,4-b]indol-9-ide;bis(1-(trideuteriomethyl)-3-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-id-1-yl]-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide)
CID 158905275
3,6-bis(trifluoromethyl)carbazol-9-ide;bis(1-methyl-3-[3-(1-methyl-2H-imidazo[4,5-b]pyridin-2-id-3-yl)-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-2H-imidazo[4,5-b]pyridin-2-ide);bis(platinum(4+));pyrido[3,4-b]indol-9-ide
CID 161442839
1-methyl-3-[3-(1-methyl-2H-imidazo[4,5-b]pyridin-2-id-3-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-2H-imidazo[4,5-b]pyridin-2-ide;platinum(4+);pyrido[3,4-b]indol-9-ide
CID 155650562
N'-methyl-N-[3-(1-methyl-2H-imidazo[4,5-b]pyrazin-2-id-3-yl)-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-N'-(3-methylpyrazin-2-yl)methanediamine;platinum(4+);pyrido[3,4-b]indol-9-ide
CID 155650636
carbazol-9-ide-3-carbonitrile;1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-2H-imidazol-2-ide;platinum(4+)
CID 155650596
carbazol-9-ide-3,6-dicarbonitrile;platinum(4+);1-(trideuteriomethyl)-3-[3-[1-(trideuteriomethyl)-2H-imidazo[4,5-b]pyridin-2-id-3-yl]-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-2H-imidazo[4,5-b]pyridin-2-ide
CID 155650505
chlorocopper;1-methyl-3-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide
CID 58544736
1-[3-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]-3,5-dimethylpyrazole;1-[3,5-dimethyl-4-(4-phenylphenyl)benzene-6-id-1-yl]-3,5-dimethylpyrazole;1-[4-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]-3,5-dimethylpyrazole;1-[4-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]-3-methyl-2H-benzimidazol-2-ide;1-[3,5-dimethyl-4-(4-phenylphenyl)benzene-6-id-1-yl]pyrazole;1-[4-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]pyrazole;hexakis(iridium)
CID 158894466
carbazol-9-ide-3-carbonitrile;N'-methyl-N-[3-(1-methyl-2H-imidazo[4,5-b]pyridin-2-id-3-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-N'-(2-methyl-3-pyridinyl)methanediamine;platinum(4+)
CID 155650367
9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-methyl-2-pyridinyl]-2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)-5-phenylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
CID 169288998
3,6-bis(trifluoromethyl)carbazol-9-ide;carbazol-9-ide-3,6-dicarbonitrile;tris(N'-(2-methylphenyl)-N'-(trideuteriomethyl)-N-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-id-1-yl]-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]methanediamine);tris(platinum(4+));3-(trifluoromethyl)carbazol-9-ide
CID 157160149
lawrencium;1-methyl-3-phenyl-2H-benzimidazol-2-ide
CID 170209546

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide;platinum(4+);pyrido[3,4-b]indol-9-ide?
The IUPAC name of 1-methyl-3-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide;platinum(4+);pyrido[3,4-b]indol-9-ide (CID 155650630) is 1-methyl-3-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide;platinum(4+);pyrido[3,4-b]indol-9-ide.
What is the SMILES notation for 1-methyl-3-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide;platinum(4+);pyrido[3,4-b]indol-9-ide?
The canonical SMILES for 1-methyl-3-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide;platinum(4+);pyrido[3,4-b]indol-9-ide is Cc1cc(C)c(-c2cc(N3[CH-]N(C)c4ccccc43)[c-]c(N3[CH-]N(C)c4ccccc43)c2)c(C)c1.[Pt+4].c1ccc2c(c1)[n-]c1cnccc12.
What is the InChIKey of 1-methyl-3-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide;platinum(4+);pyrido[3,4-b]indol-9-ide?
The InChIKey is GEKOPJFCFPNBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29N4.C11H7N2.Pt/c1-21-14-22(2)31(23(3)15-21)24-16-25(34-19-32(4)27-10-6-8-12-29(27)34)18-26(17-24)35-20-33(5)28-11-7-9-13-30(28)35;1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10;/h6-17,19-20H,1-5H3;1-7H;/q-3;-1;+4.
What are the key properties of 1-methyl-3-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide;platinum(4+);pyrido[3,4-b]indol-9-ide?
1-methyl-3-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide;platinum(4+);pyrido[3,4-b]indol-9-ide has a molecular weight of 819.87 g/mol, XLogP of 9.84, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide;platinum(4+);pyrido[3,4-b]indol-9-ide is sourced from PubChem (CID 155650630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).