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

C53H42N4Pt — CID 167399637

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

2-[diphenyl-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]methyl]-9-[4-(2-methylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+) (PubChem CID 167399637) has the molecular formula C53H42N4Pt and a molecular weight of 930.03 g/mol. Its IUPAC name is 2-[diphenyl-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]methyl]-9-[4-(2-methylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 2-[diphenyl-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]methyl]-9-[4-(2-methylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 167399637
• Molecular Formula: C53H42N4Pt
• Molecular Weight: 930.03 g/mol
• Exact Mass: 929.31
• IUPAC Name: 2-[diphenyl-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]methyl]-9-[4-(2-methylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)
• SMILES: Cc1ccccc1-c1ccnc(-n2c3[c-]c(C(c4[c-]c(N5CN(C(C)C)c6ccccc65)ccc4)(c4ccccc4)c4ccccc4)ccc3c3ccccc32)c1.[Pt+2]
• InChI: InChI=1S/C53H42N4.Pt/c1-37(2)55-36-56(50-28-15-14-27-49(50)55)44-23-16-22-42(34-44)53(40-18-6-4-7-19-40,41-20-8-5-9-21-41)43-29-30-47-46-25-12-13-26-48(46)57(51(47)35-43)52-33-39(31-32-54-52)45-24-11-10-17-38(45)3;/h4-33,37H,36H2,1-3H3;/q-2;+2
• InChIKey: OVRDYGKWYAZTBA-UHFFFAOYSA-N
• XLogP: 12.46
• TPSA: 24.30 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	930.03
LogP ≤ 5	12.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 2-[diphenyl-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]methyl]-9-[4-(2-methylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+) (CID 167399637) is 2-[diphenyl-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]methyl]-9-[4-(2-methylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+).

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

The canonical SMILES for 2-[diphenyl-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]methyl]-9-[4-(2-methylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+) is Cc1ccccc1-c1ccnc(-n2c3[c-]c(C(c4[c-]c(N5CN(C(C)C)c6ccccc65)ccc4)(c4ccccc4)c4ccccc4)ccc3c3ccccc32)c1.[Pt+2].

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

The InChIKey is OVRDYGKWYAZTBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H42N4.Pt/c1-37(2)55-36-56(50-28-15-14-27-49(50)55)44-23-16-22-42(34-44)53(40-18-6-4-7-19-40,41-20-8-5-9-21-41)43-29-30-47-46-25-12-13-26-48(46)57(51(47)35-43)52-33-39(31-32-54-52)45-24-11-10-17-38(45)3;/h4-33,37H,36H2,1-3H3;/q-2;+2.

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

2-[diphenyl-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]methyl]-9-[4-(2-methylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 930.03 g/mol, XLogP of 12.46, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[diphenyl-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]methyl]-9-[4-(2-methylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 167399637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).