9-[4-(2-methylphenyl)-2-pyridinyl]-2-[2-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]propan-2-yl]-1H-carbazol-1-ide;platinum(2+)

C43H38N4Pt — CID 167381560

About 9-[4-(2-methylphenyl)-2-pyridinyl]-2-[2-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]propan-2-yl]-1H-carbazol-1-ide;platinum(2+)

9-[4-(2-methylphenyl)-2-pyridinyl]-2-[2-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]propan-2-yl]-1H-carbazol-1-ide;platinum(2+) (PubChem CID 167381560) has the molecular formula C43H38N4Pt and a molecular weight of 805.88 g/mol. Its IUPAC name is 9-[4-(2-methylphenyl)-2-pyridinyl]-2-[2-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]propan-2-yl]-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 9-[4-(2-methylphenyl)-2-pyridinyl]-2-[2-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]propan-2-yl]-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 167381560
• Molecular Formula: C43H38N4Pt
• Molecular Weight: 805.88 g/mol
• Exact Mass: 805.27
• IUPAC Name: 9-[4-(2-methylphenyl)-2-pyridinyl]-2-[2-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]propan-2-yl]-1H-carbazol-1-ide;platinum(2+)
• SMILES: Cc1ccccc1-c1ccnc(-n2c3[c-]c(C(C)(C)c4[c-]c(N5CN(C(C)C)c6ccccc65)ccc4)ccc3c3ccccc32)c1.[Pt+2]
• InChI: InChI=1S/C43H38N4.Pt/c1-29(2)45-28-46(40-20-11-10-19-39(40)45)34-15-12-14-32(26-34)43(4,5)33-21-22-37-36-17-8-9-18-38(36)47(41(37)27-33)42-25-31(23-24-44-42)35-16-7-6-13-30(35)3;/h6-25,29H,28H2,1-5H3;/q-2;+2
• InChIKey: ZJGFGOPCGFIQFB-UHFFFAOYSA-N
• XLogP: 10.40
• TPSA: 24.30 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	805.88
LogP ≤ 5	10.40
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 9-[4-(2-methylphenyl)-2-pyridinyl]-2-[2-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]propan-2-yl]-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 9-[4-(2-methylphenyl)-2-pyridinyl]-2-[2-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]propan-2-yl]-1H-carbazol-1-ide;platinum(2+) (CID 167381560) is 9-[4-(2-methylphenyl)-2-pyridinyl]-2-[2-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]propan-2-yl]-1H-carbazol-1-ide;platinum(2+).

What is the SMILES notation for 9-[4-(2-methylphenyl)-2-pyridinyl]-2-[2-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]propan-2-yl]-1H-carbazol-1-ide;platinum(2+)?

The canonical SMILES for 9-[4-(2-methylphenyl)-2-pyridinyl]-2-[2-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]propan-2-yl]-1H-carbazol-1-ide;platinum(2+) is Cc1ccccc1-c1ccnc(-n2c3[c-]c(C(C)(C)c4[c-]c(N5CN(C(C)C)c6ccccc65)ccc4)ccc3c3ccccc32)c1.[Pt+2].

What is the InChIKey of 9-[4-(2-methylphenyl)-2-pyridinyl]-2-[2-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]propan-2-yl]-1H-carbazol-1-ide;platinum(2+)?

The InChIKey is ZJGFGOPCGFIQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H38N4.Pt/c1-29(2)45-28-46(40-20-11-10-19-39(40)45)34-15-12-14-32(26-34)43(4,5)33-21-22-37-36-17-8-9-18-38(36)47(41(37)27-33)42-25-31(23-24-44-42)35-16-7-6-13-30(35)3;/h6-25,29H,28H2,1-5H3;/q-2;+2.

What are the key properties of 9-[4-(2-methylphenyl)-2-pyridinyl]-2-[2-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]propan-2-yl]-1H-carbazol-1-ide;platinum(2+)?

9-[4-(2-methylphenyl)-2-pyridinyl]-2-[2-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]propan-2-yl]-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 805.88 g/mol, XLogP of 10.40, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-(2-methylphenyl)-2-pyridinyl]-2-[2-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]propan-2-yl]-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 167381560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).