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

C43H39N5Pt — CID 167381741

About N-[3-(3-tert-butyl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-N-phenyl-9-(4-propan-2-yl-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-phenyl-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-amine;platinum(2+) (PubChem CID 167381741) has the molecular formula C43H39N5Pt and a molecular weight of 820.90 g/mol. Its IUPAC name is N-[3-(3-tert-butyl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-N-phenyl-9-(4-propan-2-yl-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-phenyl-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-amine;platinum(2+)
• PubChem CID: 167381741
• Molecular Formula: C43H39N5Pt
• Molecular Weight: 820.90 g/mol
• Exact Mass: 820.29
• IUPAC Name: N-[3-(3-tert-butyl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-N-phenyl-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-amine;platinum(2+)
• SMILES: CC(C)c1ccnc(-n2c3[c-]c(N(c4[c-]c(N5CN(C(C)(C)C)c6ccccc65)ccc4)c4ccccc4)ccc3c3ccccc32)c1.[Pt+2]
• InChI: InChI=1S/C43H39N5.Pt/c1-30(2)31-24-25-44-42(26-31)48-38-19-10-9-18-36(38)37-23-22-35(28-41(37)48)47(32-14-7-6-8-15-32)34-17-13-16-33(27-34)45-29-46(43(3,4)5)40-21-12-11-20-39(40)45;/h6-26,30H,29H2,1-5H3;/q-2;+2
• InChIKey: ZNKOAUWPLOCPLN-UHFFFAOYSA-N
• XLogP: 11.08
• TPSA: 27.54 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	820.90
LogP ≤ 5	11.08
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-phenyl-9-(4-propan-2-yl-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-phenyl-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-amine;platinum(2+) (CID 167381741) is N-[3-(3-tert-butyl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-N-phenyl-9-(4-propan-2-yl-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-phenyl-9-(4-propan-2-yl-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-phenyl-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-amine;platinum(2+) is CC(C)c1ccnc(-n2c3[c-]c(N(c4[c-]c(N5CN(C(C)(C)C)c6ccccc65)ccc4)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-phenyl-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-amine;platinum(2+)?

The InChIKey is ZNKOAUWPLOCPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H39N5.Pt/c1-30(2)31-24-25-44-42(26-31)48-38-19-10-9-18-36(38)37-23-22-35(28-41(37)48)47(32-14-7-6-8-15-32)34-17-13-16-33(27-34)45-29-46(43(3,4)5)40-21-12-11-20-39(40)45;/h6-26,30H,29H2,1-5H3;/q-2;+2.

What are the key properties of N-[3-(3-tert-butyl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-N-phenyl-9-(4-propan-2-yl-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-phenyl-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-amine;platinum(2+) has a molecular weight of 820.90 g/mol, XLogP of 11.08, 6 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-phenyl-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-amine;platinum(2+) is sourced from PubChem (CID 167381741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).