9-[1-(4-tert-butyl-2-phenylphenyl)-4-(4-phenyl-6-phenyl-2-pyridinyl)benzimidazol-2-yl]-4-phenyl-1H-carbazol-1-ide;platinum(2+)

C58H42N4Pt — CID 164845274

About 9-[1-(4-tert-butyl-2-phenylphenyl)-4-(4-phenyl-6-phenyl-2-pyridinyl)benzimidazol-2-yl]-4-phenyl-1H-carbazol-1-ide;platinum(2+)

9-[1-(4-tert-butyl-2-phenylphenyl)-4-(4-phenyl-6-phenyl-2-pyridinyl)benzimidazol-2-yl]-4-phenyl-1H-carbazol-1-ide;platinum(2+) (PubChem CID 164845274) has the molecular formula C58H42N4Pt and a molecular weight of 990.08 g/mol. Its IUPAC name is 9-[1-(4-tert-butyl-2-phenylphenyl)-4-(4-phenyl-6-phenyl-2-pyridinyl)benzimidazol-2-yl]-4-phenyl-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 9-[1-(4-tert-butyl-2-phenylphenyl)-4-(4-phenyl-6-phenyl-2-pyridinyl)benzimidazol-2-yl]-4-phenyl-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 164845274
• Molecular Formula: C58H42N4Pt
• Molecular Weight: 990.08 g/mol
• Exact Mass: 989.31
• IUPAC Name: 9-[1-(4-tert-butyl-2-phenylphenyl)-4-(4-phenyl-6-phenyl-2-pyridinyl)benzimidazol-2-yl]-4-phenyl-1H-carbazol-1-ide;platinum(2+)
• SMILES: CC(C)(C)c1ccc(-n2c(-n3c4[c-]ccc(-c5ccccc5)c4c4ccccc43)nc3c(-c4cc(-c5ccccc5)cc(-c5[c-]cccc5)n4)cccc32)c(-c2ccccc2)c1.[Pt+2]
• InChI: InChI=1S/C58H42N4.Pt/c1-58(2,3)44-34-35-52(48(38-44)41-24-12-6-13-25-41)62-54-33-19-30-46(50-37-43(39-20-8-4-9-21-39)36-49(59-50)42-26-14-7-15-27-42)56(54)60-57(62)61-51-31-17-16-28-47(51)55-45(29-18-32-53(55)61)40-22-10-5-11-23-40;/h4-26,28-31,33-38H,1-3H3;/q-2;+2
• InChIKey: NKLRIDTXSJZNGT-UHFFFAOYSA-N
• XLogP: 14.75
• TPSA: 35.64 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	990.08
LogP ≤ 5	14.75
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-[1-(4-tert-butyl-2-phenylphenyl)-4-(4-phenyl-6-phenyl-2-pyridinyl)benzimidazol-2-yl]-4-phenyl-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 9-[1-(4-tert-butyl-2-phenylphenyl)-4-(4-phenyl-6-phenyl-2-pyridinyl)benzimidazol-2-yl]-4-phenyl-1H-carbazol-1-ide;platinum(2+) (CID 164845274) is 9-[1-(4-tert-butyl-2-phenylphenyl)-4-(4-phenyl-6-phenyl-2-pyridinyl)benzimidazol-2-yl]-4-phenyl-1H-carbazol-1-ide;platinum(2+).

What is the SMILES notation for 9-[1-(4-tert-butyl-2-phenylphenyl)-4-(4-phenyl-6-phenyl-2-pyridinyl)benzimidazol-2-yl]-4-phenyl-1H-carbazol-1-ide;platinum(2+)?

The canonical SMILES for 9-[1-(4-tert-butyl-2-phenylphenyl)-4-(4-phenyl-6-phenyl-2-pyridinyl)benzimidazol-2-yl]-4-phenyl-1H-carbazol-1-ide;platinum(2+) is CC(C)(C)c1ccc(-n2c(-n3c4[c-]ccc(-c5ccccc5)c4c4ccccc43)nc3c(-c4cc(-c5ccccc5)cc(-c5[c-]cccc5)n4)cccc32)c(-c2ccccc2)c1.[Pt+2].

What is the InChIKey of 9-[1-(4-tert-butyl-2-phenylphenyl)-4-(4-phenyl-6-phenyl-2-pyridinyl)benzimidazol-2-yl]-4-phenyl-1H-carbazol-1-ide;platinum(2+)?

The InChIKey is NKLRIDTXSJZNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H42N4.Pt/c1-58(2,3)44-34-35-52(48(38-44)41-24-12-6-13-25-41)62-54-33-19-30-46(50-37-43(39-20-8-4-9-21-39)36-49(59-50)42-26-14-7-15-27-42)56(54)60-57(62)61-51-31-17-16-28-47(51)55-45(29-18-32-53(55)61)40-22-10-5-11-23-40;/h4-26,28-31,33-38H,1-3H3;/q-2;+2.

What are the key properties of 9-[1-(4-tert-butyl-2-phenylphenyl)-4-(4-phenyl-6-phenyl-2-pyridinyl)benzimidazol-2-yl]-4-phenyl-1H-carbazol-1-ide;platinum(2+)?

9-[1-(4-tert-butyl-2-phenylphenyl)-4-(4-phenyl-6-phenyl-2-pyridinyl)benzimidazol-2-yl]-4-phenyl-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 990.08 g/mol, XLogP of 14.75, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[1-(4-tert-butyl-2-phenylphenyl)-4-(4-phenyl-6-phenyl-2-pyridinyl)benzimidazol-2-yl]-4-phenyl-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 164845274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).