N-[3-(3-tert-butyl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-N-(2,6-dimethylphenyl)-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;platinum(2+)

C₅₁H₄₇N₅Pt — CID 155622929

About N-[3-(3-tert-butyl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-N-(2,6-dimethylphenyl)-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;platinum(2+)

N-[3-(3-tert-butyl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-N-(2,6-dimethylphenyl)-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;platinum(2+) (PubChem CID 155622929) has the molecular formula C₅₁H₄₇N₅Pt and a molecular weight of 925.05 g/mol. Its IUPAC name is N-[3-(3-tert-butyl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-N-(2,6-dimethylphenyl)-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;platinum(2+).

Molecular Properties

• Compound Name: N-[3-(3-tert-butyl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-N-(2,6-dimethylphenyl)-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;platinum(2+)
• PubChem CID: 155622929
• Molecular Formula: C₅₁H₄₇N₅Pt
• Molecular Weight: 925.05 g/mol
• Exact Mass: 924.35
• IUPAC Name: N-[3-(3-tert-butyl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-N-(2,6-dimethylphenyl)-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;platinum(2+)
• SMILES: Cc1cccc(C)c1N(c1[c-]c(N2CN(C(C)(C)C)c3ccccc32)ccc1)c1[c-]c2c(cc1)c1ccccc1n2-c1cc(-c2ccccc2C(C)C)ccn1.[Pt+2]
• InChI: InChI=1S/C51H47N5.Pt/c1-34(2)41-20-8-9-21-42(41)37-28-29-52-49(30-37)56-45-23-11-10-22-43(45)44-27-26-40(32-48(44)56)55(50-35(3)16-14-17-36(50)4)39-19-15-18-38(31-39)53-33-54(51(5,6)7)47-25-13-12-24-46(47)53;/h8-30,34H,33H2,1-7H3;/q-2;+2
• InChIKey: NKSSDBXKZLMSHZ-UHFFFAOYSA-N
• XLogP: 13.37
• TPSA: 27.54 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	925.05
LogP ≤ 5	13.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-tert-butyl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-N-(2,6-dimethylphenyl)-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;platinum(2+)?

The IUPAC name of N-[3-(3-tert-butyl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-N-(2,6-dimethylphenyl)-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;platinum(2+) (CID 155622929) is N-[3-(3-tert-butyl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-N-(2,6-dimethylphenyl)-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;platinum(2+).

What is the SMILES notation for N-[3-(3-tert-butyl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-N-(2,6-dimethylphenyl)-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;platinum(2+)?

The canonical SMILES for N-[3-(3-tert-butyl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-N-(2,6-dimethylphenyl)-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;platinum(2+) is Cc1cccc(C)c1N(c1[c-]c(N2CN(C(C)(C)C)c3ccccc32)ccc1)c1[c-]c2c(cc1)c1ccccc1n2-c1cc(-c2ccccc2C(C)C)ccn1.[Pt+2].

What is the InChIKey of N-[3-(3-tert-butyl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-N-(2,6-dimethylphenyl)-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;platinum(2+)?

The InChIKey is NKSSDBXKZLMSHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H47N5.Pt/c1-34(2)41-20-8-9-21-42(41)37-28-29-52-49(30-37)56-45-23-11-10-22-43(45)44-27-26-40(32-48(44)56)55(50-35(3)16-14-17-36(50)4)39-19-15-18-38(31-39)53-33-54(51(5,6)7)47-25-13-12-24-46(47)53;/h8-30,34H,33H2,1-7H3;/q-2;+2.

What are the key properties of N-[3-(3-tert-butyl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-N-(2,6-dimethylphenyl)-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;platinum(2+)?

N-[3-(3-tert-butyl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-N-(2,6-dimethylphenyl)-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;platinum(2+) has a molecular weight of 925.05 g/mol, XLogP of 13.37, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(3-tert-butyl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-N-(2,6-dimethylphenyl)-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;platinum(2+) is sourced from PubChem (CID 155622929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155622929 — identifiers, structure, computed properties (public domain)

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