2-[1-phenyl-2-(7-phenylcarbazol-9-id-1-yl)benzimidazol-4-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)

C48H29N5Pt — CID 176642871

About 2-[1-phenyl-2-(7-phenylcarbazol-9-id-1-yl)benzimidazol-4-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)

2-[1-phenyl-2-(7-phenylcarbazol-9-id-1-yl)benzimidazol-4-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) (PubChem CID 176642871) has the molecular formula C48H29N5Pt and a molecular weight of 870.87 g/mol. Its IUPAC name is 2-[1-phenyl-2-(7-phenylcarbazol-9-id-1-yl)benzimidazol-4-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 2-[1-phenyl-2-(7-phenylcarbazol-9-id-1-yl)benzimidazol-4-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 176642871
• Molecular Formula: C48H29N5Pt
• Molecular Weight: 870.87 g/mol
• Exact Mass: 870.21
• IUPAC Name: 2-[1-phenyl-2-(7-phenylcarbazol-9-id-1-yl)benzimidazol-4-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)
• SMILES: [Pt+2].[c-]1c(-c2cccc3c2nc(-c2cccc4c2[n-]c2cc(-c5ccccc5)ccc24)n3-c2ccccc2)ccc2c3ccccc3n(-c3ccccn3)c12
• InChI: InChI=1S/C48H29N5.Pt/c1-3-13-31(14-4-1)32-24-26-36-39-19-11-20-40(46(39)50-41(36)29-32)48-51-47-35(18-12-22-43(47)52(48)34-15-5-2-6-16-34)33-25-27-38-37-17-7-8-21-42(37)53(44(38)30-33)45-23-9-10-28-49-45;/h1-29H;/q-2;+2
• InChIKey: CLRIDACKKPFTJI-UHFFFAOYSA-N
• XLogP: 11.58
• TPSA: 49.74 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	870.87
LogP ≤ 5	11.58
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-[1-phenyl-2-(7-phenylcarbazol-9-id-1-yl)benzimidazol-4-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 2-[1-phenyl-2-(7-phenylcarbazol-9-id-1-yl)benzimidazol-4-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) (CID 176642871) is 2-[1-phenyl-2-(7-phenylcarbazol-9-id-1-yl)benzimidazol-4-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+).

What is the SMILES notation for 2-[1-phenyl-2-(7-phenylcarbazol-9-id-1-yl)benzimidazol-4-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)?

The canonical SMILES for 2-[1-phenyl-2-(7-phenylcarbazol-9-id-1-yl)benzimidazol-4-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) is [Pt+2].[c-]1c(-c2cccc3c2nc(-c2cccc4c2[n-]c2cc(-c5ccccc5)ccc24)n3-c2ccccc2)ccc2c3ccccc3n(-c3ccccn3)c12.

What is the InChIKey of 2-[1-phenyl-2-(7-phenylcarbazol-9-id-1-yl)benzimidazol-4-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)?

The InChIKey is CLRIDACKKPFTJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29N5.Pt/c1-3-13-31(14-4-1)32-24-26-36-39-19-11-20-40(46(39)50-41(36)29-32)48-51-47-35(18-12-22-43(47)52(48)34-15-5-2-6-16-34)33-25-27-38-37-17-7-8-21-42(37)53(44(38)30-33)45-23-9-10-28-49-45;/h1-29H;/q-2;+2.

What are the key properties of 2-[1-phenyl-2-(7-phenylcarbazol-9-id-1-yl)benzimidazol-4-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)?

2-[1-phenyl-2-(7-phenylcarbazol-9-id-1-yl)benzimidazol-4-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 870.87 g/mol, XLogP of 11.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-phenyl-2-(7-phenylcarbazol-9-id-1-yl)benzimidazol-4-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 176642871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).