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

C43H27N5Pt — CID 176643174

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

2-[2-carbazol-9-id-1-yl-1-(4-methylphenyl)benzimidazol-4-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) (PubChem CID 176643174) has the molecular formula C43H27N5Pt and a molecular weight of 808.80 g/mol. Its IUPAC name is 2-[2-carbazol-9-id-1-yl-1-(4-methylphenyl)benzimidazol-4-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 2-[2-carbazol-9-id-1-yl-1-(4-methylphenyl)benzimidazol-4-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 176643174
• Molecular Formula: C43H27N5Pt
• Molecular Weight: 808.80 g/mol
• Exact Mass: 808.19
• IUPAC Name: 2-[2-carbazol-9-id-1-yl-1-(4-methylphenyl)benzimidazol-4-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)
• SMILES: Cc1ccc(-n2c(-c3cccc4c3[n-]c3ccccc34)nc3c(-c4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)cccc32)cc1.[Pt+2]
• InChI: InChI=1S/C43H27N5.Pt/c1-27-19-22-29(23-20-27)47-38-17-9-12-30(42(38)46-43(47)35-14-8-13-34-31-10-2-4-15-36(31)45-41(34)35)28-21-24-33-32-11-3-5-16-37(32)48(39(33)26-28)40-18-6-7-25-44-40;/h2-25H,1H3;/q-2;+2
• InChIKey: CRPHUHHJPFAONE-UHFFFAOYSA-N
• XLogP: 10.22
• TPSA: 49.74 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	808.80
LogP ≤ 5	10.22
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-(4-methylphenyl)benzimidazol-4-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 2-[2-carbazol-9-id-1-yl-1-(4-methylphenyl)benzimidazol-4-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) (CID 176643174) is 2-[2-carbazol-9-id-1-yl-1-(4-methylphenyl)benzimidazol-4-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+).

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

The canonical SMILES for 2-[2-carbazol-9-id-1-yl-1-(4-methylphenyl)benzimidazol-4-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) is Cc1ccc(-n2c(-c3cccc4c3[n-]c3ccccc34)nc3c(-c4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)cccc32)cc1.[Pt+2].

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

The InChIKey is CRPHUHHJPFAONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27N5.Pt/c1-27-19-22-29(23-20-27)47-38-17-9-12-30(42(38)46-43(47)35-14-8-13-34-31-10-2-4-15-36(31)45-41(34)35)28-21-24-33-32-11-3-5-16-37(32)48(39(33)26-28)40-18-6-7-25-44-40;/h2-25H,1H3;/q-2;+2.

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

2-[2-carbazol-9-id-1-yl-1-(4-methylphenyl)benzimidazol-4-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 808.80 g/mol, XLogP of 10.22, 4 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-(4-methylphenyl)benzimidazol-4-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 176643174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).