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

C43H27N5Pt — CID 176642809

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

2-[2-carbazol-9-id-1-yl-1-(2-methylphenyl)benzimidazol-4-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) (PubChem CID 176642809) 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-(2-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-(2-methylphenyl)benzimidazol-4-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 176642809
• Molecular Formula: C43H27N5Pt
• Molecular Weight: 808.80 g/mol
• Exact Mass: 808.19
• IUPAC Name: 2-[2-carbazol-9-id-1-yl-1-(2-methylphenyl)benzimidazol-4-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)
• SMILES: Cc1ccccc1-n1c(-c2cccc3c2[n-]c2ccccc23)nc2c(-c3[c-]c4c(cc3)c3ccccc3n4-c3ccccn3)cccc21.[Pt+2]
• InChI: InChI=1S/C43H27N5.Pt/c1-27-12-2-6-19-36(27)48-38-21-11-15-29(42(38)46-43(48)34-17-10-16-33-30-13-3-5-18-35(30)45-41(33)34)28-23-24-32-31-14-4-7-20-37(31)47(39(32)26-28)40-22-8-9-25-44-40;/h2-25H,1H3;/q-2;+2
• InChIKey: JSNPMRXYHBHZHD-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-(2-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-(2-methylphenyl)benzimidazol-4-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) (CID 176642809) is 2-[2-carbazol-9-id-1-yl-1-(2-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-(2-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-(2-methylphenyl)benzimidazol-4-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) is Cc1ccccc1-n1c(-c2cccc3c2[n-]c2ccccc23)nc2c(-c3[c-]c4c(cc3)c3ccccc3n4-c3ccccn3)cccc21.[Pt+2].

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

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

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

2-[2-carbazol-9-id-1-yl-1-(2-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-(2-methylphenyl)benzimidazol-4-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 176642809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).