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

C48H33N5Pt — CID 167382684

About N-phenyl-N-[3-(3-phenyl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-9-(4-phenyl-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-phenyl-2-pyridinyl)-1H-carbazol-1-id-2-amine;platinum(2+) (PubChem CID 167382684) has the molecular formula C48H33N5Pt and a molecular weight of 874.91 g/mol. Its IUPAC name is N-phenyl-N-[3-(3-phenyl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-9-(4-phenyl-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-phenyl-2-pyridinyl)-1H-carbazol-1-id-2-amine;platinum(2+)
• PubChem CID: 167382684
• Molecular Formula: C48H33N5Pt
• Molecular Weight: 874.91 g/mol
• Exact Mass: 874.24
• IUPAC Name: N-phenyl-N-[3-(3-phenyl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-9-(4-phenyl-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)ccn1)c1ccccc1
• InChI: InChI=1S/C48H33N5.Pt/c1-4-15-35(16-5-1)36-29-30-49-48(31-36)53-44-24-11-10-23-42(44)43-28-27-41(33-47(43)53)52(38-19-8-3-9-20-38)40-22-14-21-39(32-40)51-34-50(37-17-6-2-7-18-37)45-25-12-13-26-46(45)51;/h1-31H,34H2;/q-2;+2
• InChIKey: IUHWFHRPFZOJEI-UHFFFAOYSA-N
• XLogP: 12.16
• TPSA: 27.54 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	874.91
LogP ≤ 5	12.16
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-phenyl-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-phenyl-2-pyridinyl)-1H-carbazol-1-id-2-amine;platinum(2+) (CID 167382684) is N-phenyl-N-[3-(3-phenyl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-9-(4-phenyl-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-phenyl-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-phenyl-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)ccn1)c1ccccc1.

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

The InChIKey is IUHWFHRPFZOJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33N5.Pt/c1-4-15-35(16-5-1)36-29-30-49-48(31-36)53-44-24-11-10-23-42(44)43-28-27-41(33-47(43)53)52(38-19-8-3-9-20-38)40-22-14-21-39(32-40)51-34-50(37-17-6-2-7-18-37)45-25-12-13-26-46(45)51;/h1-31H,34H2;/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-phenyl-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-phenyl-2-pyridinyl)-1H-carbazol-1-id-2-amine;platinum(2+) has a molecular weight of 874.91 g/mol, XLogP of 12.16, 7 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-phenyl-2-pyridinyl)-1H-carbazol-1-id-2-amine;platinum(2+) is sourced from PubChem (CID 167382684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).