2-(1-methylbenzimidazol-2-yl)-4,6-diphenyl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+)

C43H28N4Pt — CID 153285370

About 2-(1-methylbenzimidazol-2-yl)-4,6-diphenyl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+)

2-(1-methylbenzimidazol-2-yl)-4,6-diphenyl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153285370) has the molecular formula C43H28N4Pt and a molecular weight of 795.80 g/mol. Its IUPAC name is 2-(1-methylbenzimidazol-2-yl)-4,6-diphenyl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 2-(1-methylbenzimidazol-2-yl)-4,6-diphenyl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153285370
• Molecular Formula: C43H28N4Pt
• Molecular Weight: 795.80 g/mol
• Exact Mass: 795.20
• IUPAC Name: 2-(1-methylbenzimidazol-2-yl)-4,6-diphenyl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+)
• SMILES: Cn1c(-c2[c-]c3c(c(-c4ccccc4)c2)c2cc(-c4ccccc4)ccc2n3-c2[c-]c(-c3ccccn3)ccc2)nc2ccccc21.[Pt+2]
• InChI: InChI=1S/C43H28N4.Pt/c1-46-40-21-9-8-20-38(40)45-43(46)33-27-35(30-15-6-3-7-16-30)42-36-26-31(29-13-4-2-5-14-29)22-23-39(36)47(41(42)28-33)34-18-12-17-32(25-34)37-19-10-11-24-44-37;/h2-24,26-27H,1H3;/q-2;+2
• InChIKey: PXJVYMOQRRUQOH-UHFFFAOYSA-N
• XLogP: 10.33
• TPSA: 35.64 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	795.80
LogP ≤ 5	10.33
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-methylbenzimidazol-2-yl)-4,6-diphenyl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 2-(1-methylbenzimidazol-2-yl)-4,6-diphenyl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+) (CID 153285370) is 2-(1-methylbenzimidazol-2-yl)-4,6-diphenyl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+).

What is the SMILES notation for 2-(1-methylbenzimidazol-2-yl)-4,6-diphenyl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+)?

The canonical SMILES for 2-(1-methylbenzimidazol-2-yl)-4,6-diphenyl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+) is Cn1c(-c2[c-]c3c(c(-c4ccccc4)c2)c2cc(-c4ccccc4)ccc2n3-c2[c-]c(-c3ccccn3)ccc2)nc2ccccc21.[Pt+2].

What is the InChIKey of 2-(1-methylbenzimidazol-2-yl)-4,6-diphenyl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+)?

The InChIKey is PXJVYMOQRRUQOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28N4.Pt/c1-46-40-21-9-8-20-38(40)45-43(46)33-27-35(30-15-6-3-7-16-30)42-36-26-31(29-13-4-2-5-14-29)22-23-39(36)47(41(42)28-33)34-18-12-17-32(25-34)37-19-10-11-24-44-37;/h2-24,26-27H,1H3;/q-2;+2.

What are the key properties of 2-(1-methylbenzimidazol-2-yl)-4,6-diphenyl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+)?

2-(1-methylbenzimidazol-2-yl)-4,6-diphenyl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 795.80 g/mol, XLogP of 10.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1-methylbenzimidazol-2-yl)-4,6-diphenyl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153285370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).