2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-9-(4-methyl-2-pyridinyl)-7-phenyl-1H-carbazol-1-ide;platinum(2+)

C49H31N5Pt — CID 176643407

About 2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-9-(4-methyl-2-pyridinyl)-7-phenyl-1H-carbazol-1-ide;platinum(2+)

2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-9-(4-methyl-2-pyridinyl)-7-phenyl-1H-carbazol-1-ide;platinum(2+) (PubChem CID 176643407) has the molecular formula C49H31N5Pt and a molecular weight of 884.90 g/mol. Its IUPAC name is 2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-9-(4-methyl-2-pyridinyl)-7-phenyl-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-9-(4-methyl-2-pyridinyl)-7-phenyl-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 176643407
• Molecular Formula: C49H31N5Pt
• Molecular Weight: 884.90 g/mol
• Exact Mass: 884.22
• IUPAC Name: 2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-9-(4-methyl-2-pyridinyl)-7-phenyl-1H-carbazol-1-ide;platinum(2+)
• SMILES: Cc1ccnc(-n2c3[c-]c(-c4cccc5c4nc(-c4cccc6c4[n-]c4ccccc46)n5-c4ccccc4)ccc3c3ccc(-c4ccccc4)cc32)c1.[Pt+2]
• InChI: InChI=1S/C49H31N5.Pt/c1-31-26-27-50-46(28-31)54-44-29-33(32-12-4-2-5-13-32)22-24-38(44)39-25-23-34(30-45(39)54)36-17-11-21-43-48(36)52-49(53(43)35-14-6-3-7-15-35)41-19-10-18-40-37-16-8-9-20-42(37)51-47(40)41;/h2-29H,1H3;/q-2;+2
• InChIKey: DMQRZJPBQBKDRE-UHFFFAOYSA-N
• XLogP: 11.89
• TPSA: 49.74 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	884.90
LogP ≤ 5	11.89
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-(4-methyl-2-pyridinyl)-7-phenyl-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-9-(4-methyl-2-pyridinyl)-7-phenyl-1H-carbazol-1-ide;platinum(2+) (CID 176643407) is 2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-9-(4-methyl-2-pyridinyl)-7-phenyl-1H-carbazol-1-ide;platinum(2+).

What is the SMILES notation for 2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-9-(4-methyl-2-pyridinyl)-7-phenyl-1H-carbazol-1-ide;platinum(2+)?

The canonical SMILES for 2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-9-(4-methyl-2-pyridinyl)-7-phenyl-1H-carbazol-1-ide;platinum(2+) is Cc1ccnc(-n2c3[c-]c(-c4cccc5c4nc(-c4cccc6c4[n-]c4ccccc46)n5-c4ccccc4)ccc3c3ccc(-c4ccccc4)cc32)c1.[Pt+2].

What is the InChIKey of 2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-9-(4-methyl-2-pyridinyl)-7-phenyl-1H-carbazol-1-ide;platinum(2+)?

The InChIKey is DMQRZJPBQBKDRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H31N5.Pt/c1-31-26-27-50-46(28-31)54-44-29-33(32-12-4-2-5-13-32)22-24-38(44)39-25-23-34(30-45(39)54)36-17-11-21-43-48(36)52-49(53(43)35-14-6-3-7-15-35)41-19-10-18-40-37-16-8-9-20-42(37)51-47(40)41;/h2-29H,1H3;/q-2;+2.

What are the key properties of 2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-9-(4-methyl-2-pyridinyl)-7-phenyl-1H-carbazol-1-ide;platinum(2+)?

2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-9-(4-methyl-2-pyridinyl)-7-phenyl-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 884.90 g/mol, XLogP of 11.89, 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-(4-methyl-2-pyridinyl)-7-phenyl-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 176643407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).