N-phenyl-N-[3-(3-phenyl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-9-[4-(2-phenylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;platinum(2+)

C54H37N5Pt — CID 167382622

About N-phenyl-N-[3-(3-phenyl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-9-[4-(2-phenylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;platinum(2+)

N-phenyl-N-[3-(3-phenyl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-9-[4-(2-phenylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;platinum(2+) (PubChem CID 167382622) has the molecular formula C54H37N5Pt and a molecular weight of 951.00 g/mol. Its IUPAC name is N-phenyl-N-[3-(3-phenyl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-9-[4-(2-phenylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;platinum(2+).

Molecular Properties

• Compound Name: N-phenyl-N-[3-(3-phenyl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-9-[4-(2-phenylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;platinum(2+)
• PubChem CID: 167382622
• Molecular Formula: C54H37N5Pt
• Molecular Weight: 951.00 g/mol
• Exact Mass: 950.27
• IUPAC Name: N-phenyl-N-[3-(3-phenyl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-9-[4-(2-phenylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;platinum(2+)
• SMILES: [Pt+2].[c-]1c(N2CN(c3ccccc3)c3ccccc32)cccc1N(c1[c-]c2c(cc1)c1ccccc1n2-c1cc(-c2ccccc2-c2ccccc2)ccn1)c1ccccc1
• InChI: InChI=1S/C54H37N5.Pt/c1-4-17-39(18-5-1)46-25-10-11-26-47(46)40-33-34-55-54(35-40)59-50-28-13-12-27-48(50)49-32-31-45(37-53(49)59)58(42-21-8-3-9-22-42)44-24-16-23-43(36-44)57-38-56(41-19-6-2-7-20-41)51-29-14-15-30-52(51)57;/h1-35H,38H2;/q-2;+2
• InChIKey: BEAOHRZRRNGNQP-UHFFFAOYSA-N
• XLogP: 13.83
• TPSA: 27.54 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	951.00
LogP ≤ 5	13.83
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-phenyl-N-[3-(3-phenyl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-9-[4-(2-phenylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;platinum(2+)?

The IUPAC name of N-phenyl-N-[3-(3-phenyl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-9-[4-(2-phenylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;platinum(2+) (CID 167382622) is N-phenyl-N-[3-(3-phenyl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-9-[4-(2-phenylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;platinum(2+).

What is the SMILES notation for N-phenyl-N-[3-(3-phenyl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-9-[4-(2-phenylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;platinum(2+)?

The canonical SMILES for N-phenyl-N-[3-(3-phenyl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-9-[4-(2-phenylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;platinum(2+) is [Pt+2].[c-]1c(N2CN(c3ccccc3)c3ccccc32)cccc1N(c1[c-]c2c(cc1)c1ccccc1n2-c1cc(-c2ccccc2-c2ccccc2)ccn1)c1ccccc1.

What is the InChIKey of N-phenyl-N-[3-(3-phenyl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-9-[4-(2-phenylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;platinum(2+)?

The InChIKey is BEAOHRZRRNGNQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H37N5.Pt/c1-4-17-39(18-5-1)46-25-10-11-26-47(46)40-33-34-55-54(35-40)59-50-28-13-12-27-48(50)49-32-31-45(37-53(49)59)58(42-21-8-3-9-22-42)44-24-16-23-43(36-44)57-38-56(41-19-6-2-7-20-41)51-29-14-15-30-52(51)57;/h1-35H,38H2;/q-2;+2.

What are the key properties of N-phenyl-N-[3-(3-phenyl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-9-[4-(2-phenylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;platinum(2+)?

N-phenyl-N-[3-(3-phenyl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-9-[4-(2-phenylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;platinum(2+) has a molecular weight of 951.00 g/mol, XLogP of 13.83, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-phenyl-N-[3-(3-phenyl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-9-[4-(2-phenylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;platinum(2+) is sourced from PubChem (CID 167382622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).