2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-9-pyridin-2-yl-6-(2,4,6-trimethylphenyl)-1H-carbazol-1-ide;platinum(2+)

C51H35N5Pt — CID 176642958

About 2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-9-pyridin-2-yl-6-(2,4,6-trimethylphenyl)-1H-carbazol-1-ide;platinum(2+)

2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-9-pyridin-2-yl-6-(2,4,6-trimethylphenyl)-1H-carbazol-1-ide;platinum(2+) (PubChem CID 176642958) has the molecular formula C51H35N5Pt and a molecular weight of 912.95 g/mol. Its IUPAC name is 2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-9-pyridin-2-yl-6-(2,4,6-trimethylphenyl)-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-9-pyridin-2-yl-6-(2,4,6-trimethylphenyl)-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 176642958
• Molecular Formula: C51H35N5Pt
• Molecular Weight: 912.95 g/mol
• Exact Mass: 912.25
• IUPAC Name: 2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-9-pyridin-2-yl-6-(2,4,6-trimethylphenyl)-1H-carbazol-1-ide;platinum(2+)
• SMILES: Cc1cc(C)c(-c2ccc3c(c2)c2ccc(-c4cccc5c4nc(-c4cccc6c4[n-]c4ccccc46)n5-c4ccccc4)[c-]c2n3-c2ccccn2)c(C)c1.[Pt+2]
• InChI: InChI=1S/C51H35N5.Pt/c1-31-27-32(2)48(33(3)28-31)35-23-25-44-42(29-35)39-24-22-34(30-46(39)56(44)47-21-9-10-26-52-47)37-16-12-20-45-50(37)54-51(55(45)36-13-5-4-6-14-36)41-18-11-17-40-38-15-7-8-19-43(38)53-49(40)41;/h4-29H,1-3H3;/q-2;+2
• InChIKey: WEDFCBYBZWQSIZ-UHFFFAOYSA-N
• XLogP: 12.51
• TPSA: 49.74 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	912.95
LogP ≤ 5	12.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-9-pyridin-2-yl-6-(2,4,6-trimethylphenyl)-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-9-pyridin-2-yl-6-(2,4,6-trimethylphenyl)-1H-carbazol-1-ide;platinum(2+) (CID 176642958) is 2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-9-pyridin-2-yl-6-(2,4,6-trimethylphenyl)-1H-carbazol-1-ide;platinum(2+).

What is the SMILES notation for 2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-9-pyridin-2-yl-6-(2,4,6-trimethylphenyl)-1H-carbazol-1-ide;platinum(2+)?

The canonical SMILES for 2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-9-pyridin-2-yl-6-(2,4,6-trimethylphenyl)-1H-carbazol-1-ide;platinum(2+) is Cc1cc(C)c(-c2ccc3c(c2)c2ccc(-c4cccc5c4nc(-c4cccc6c4[n-]c4ccccc46)n5-c4ccccc4)[c-]c2n3-c2ccccn2)c(C)c1.[Pt+2].

What is the InChIKey of 2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-9-pyridin-2-yl-6-(2,4,6-trimethylphenyl)-1H-carbazol-1-ide;platinum(2+)?

The InChIKey is WEDFCBYBZWQSIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H35N5.Pt/c1-31-27-32(2)48(33(3)28-31)35-23-25-44-42(29-35)39-24-22-34(30-46(39)56(44)47-21-9-10-26-52-47)37-16-12-20-45-50(37)54-51(55(45)36-13-5-4-6-14-36)41-18-11-17-40-38-15-7-8-19-43(38)53-49(40)41;/h4-29H,1-3H3;/q-2;+2.

What are the key properties of 2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-9-pyridin-2-yl-6-(2,4,6-trimethylphenyl)-1H-carbazol-1-ide;platinum(2+)?

2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-9-pyridin-2-yl-6-(2,4,6-trimethylphenyl)-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 912.95 g/mol, XLogP of 12.51, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-9-pyridin-2-yl-6-(2,4,6-trimethylphenyl)-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 176642958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).