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

C59H47N5Pt — CID 155622914

About N-[3-(3-tert-butyl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-N-(2,6-diphenylphenyl)-9-[4-(2-methylphenyl)-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-diphenylphenyl)-9-[4-(2-methylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;platinum(2+) (PubChem CID 155622914) has the molecular formula C59H47N5Pt and a molecular weight of 1021.14 g/mol. Its IUPAC name is N-[3-(3-tert-butyl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-N-(2,6-diphenylphenyl)-9-[4-(2-methylphenyl)-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-diphenylphenyl)-9-[4-(2-methylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;platinum(2+)
• PubChem CID: 155622914
• Molecular Formula: C59H47N5Pt
• Molecular Weight: 1021.14 g/mol
• Exact Mass: 1020.35
• IUPAC Name: N-[3-(3-tert-butyl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-N-(2,6-diphenylphenyl)-9-[4-(2-methylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;platinum(2+)
• SMILES: Cc1ccccc1-c1ccnc(-n2c3[c-]c(N(c4[c-]c(N5CN(C(C)(C)C)c6ccccc65)ccc4)c4c(-c5ccccc5)cccc4-c4ccccc4)ccc3c3ccccc32)c1.[Pt+2]
• InChI: InChI=1S/C59H47N5.Pt/c1-41-19-11-12-26-48(41)44-35-36-60-57(37-44)64-53-30-14-13-27-51(53)52-34-33-47(39-56(52)64)63(58-49(42-20-7-5-8-21-42)28-18-29-50(58)43-22-9-6-10-23-43)46-25-17-24-45(38-46)61-40-62(59(2,3)4)55-32-16-15-31-54(55)61;/h5-37H,40H2,1-4H3;/q-2;+2
• InChIKey: HYMHYPIZMNHOGC-UHFFFAOYSA-N
• XLogP: 15.27
• TPSA: 27.54 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1021.14
LogP ≤ 5	15.27
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-diphenylphenyl)-9-[4-(2-methylphenyl)-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-diphenylphenyl)-9-[4-(2-methylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;platinum(2+) (CID 155622914) is N-[3-(3-tert-butyl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-N-(2,6-diphenylphenyl)-9-[4-(2-methylphenyl)-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-diphenylphenyl)-9-[4-(2-methylphenyl)-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-diphenylphenyl)-9-[4-(2-methylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;platinum(2+) is Cc1ccccc1-c1ccnc(-n2c3[c-]c(N(c4[c-]c(N5CN(C(C)(C)C)c6ccccc65)ccc4)c4c(-c5ccccc5)cccc4-c4ccccc4)ccc3c3ccccc32)c1.[Pt+2].

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

The InChIKey is HYMHYPIZMNHOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H47N5.Pt/c1-41-19-11-12-26-48(41)44-35-36-60-57(37-44)64-53-30-14-13-27-51(53)52-34-33-47(39-56(52)64)63(58-49(42-20-7-5-8-21-42)28-18-29-50(58)43-22-9-6-10-23-43)46-25-17-24-45(38-46)61-40-62(59(2,3)4)55-32-16-15-31-54(55)61;/h5-37H,40H2,1-4H3;/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-diphenylphenyl)-9-[4-(2-methylphenyl)-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-diphenylphenyl)-9-[4-(2-methylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;platinum(2+) has a molecular weight of 1021.14 g/mol, XLogP of 15.27, 8 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-diphenylphenyl)-9-[4-(2-methylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;platinum(2+) is sourced from PubChem (CID 155622914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).