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

C48H41N5Pt — CID 167382386

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

N-phenyl-N-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;platinum(2+) (PubChem CID 167382386) has the molecular formula C48H41N5Pt and a molecular weight of 882.97 g/mol. Its IUPAC name is N-phenyl-N-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;platinum(2+).

Molecular Properties

• Compound Name: N-phenyl-N-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;platinum(2+)
• PubChem CID: 167382386
• Molecular Formula: C48H41N5Pt
• Molecular Weight: 882.97 g/mol
• Exact Mass: 882.30
• IUPAC Name: N-phenyl-N-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;platinum(2+)
• SMILES: CC(C)c1ccccc1-c1ccnc(-n2c3[c-]c(N(c4[c-]c(N5CN(C(C)C)c6ccccc65)ccc4)c4ccccc4)ccc3c3ccccc32)c1.[Pt+2]
• InChI: InChI=1S/C48H41N5.Pt/c1-33(2)40-19-8-9-20-41(40)35-27-28-49-48(29-35)53-44-22-11-10-21-42(44)43-26-25-39(31-47(43)53)52(36-15-6-5-7-16-36)38-18-14-17-37(30-38)51-32-50(34(3)4)45-23-12-13-24-46(45)51;/h5-29,33-34H,32H2,1-4H3;/q-2;+2
• InChIKey: NGAFRJZILIDRMA-UHFFFAOYSA-N
• XLogP: 12.36
• TPSA: 27.54 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	882.97
LogP ≤ 5	12.36
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-propan-2-yl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;platinum(2+)?

The IUPAC name of N-phenyl-N-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;platinum(2+) (CID 167382386) is N-phenyl-N-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;platinum(2+).

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

The canonical SMILES for N-phenyl-N-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;platinum(2+) is CC(C)c1ccccc1-c1ccnc(-n2c3[c-]c(N(c4[c-]c(N5CN(C(C)C)c6ccccc65)ccc4)c4ccccc4)ccc3c3ccccc32)c1.[Pt+2].

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

The InChIKey is NGAFRJZILIDRMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H41N5.Pt/c1-33(2)40-19-8-9-20-41(40)35-27-28-49-48(29-35)53-44-22-11-10-21-42(44)43-26-25-39(31-47(43)53)52(36-15-6-5-7-16-36)38-18-14-17-37(30-38)51-32-50(34(3)4)45-23-12-13-24-46(45)51;/h5-29,33-34H,32H2,1-4H3;/q-2;+2.

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

N-phenyl-N-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;platinum(2+) has a molecular weight of 882.97 g/mol, XLogP of 12.36, 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-propan-2-yl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;platinum(2+) is sourced from PubChem (CID 167382386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).