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

C40H40N4Pt — CID 167382175

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

9-(4-tert-butyl-2-pyridinyl)-2-[2-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]propan-2-yl]-1H-carbazol-1-ide;platinum(2+) (PubChem CID 167382175) has the molecular formula C40H40N4Pt and a molecular weight of 771.87 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[2-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]propan-2-yl]-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 9-(4-tert-butyl-2-pyridinyl)-2-[2-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]propan-2-yl]-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 167382175
• Molecular Formula: C40H40N4Pt
• Molecular Weight: 771.87 g/mol
• Exact Mass: 771.29
• IUPAC Name: 9-(4-tert-butyl-2-pyridinyl)-2-[2-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]propan-2-yl]-1H-carbazol-1-ide;platinum(2+)
• SMILES: CC(C)N1CN(c2[c-]c(C(C)(C)c3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(C)(C)C)ccn3)ccc2)c2ccccc21.[Pt+2]
• InChI: InChI=1S/C40H40N4.Pt/c1-27(2)42-26-43(36-18-11-10-17-35(36)42)31-14-12-13-29(23-31)40(6,7)30-19-20-33-32-15-8-9-16-34(32)44(37(33)24-30)38-25-28(21-22-41-38)39(3,4)5;/h8-22,25,27H,26H2,1-7H3;/q-2;+2
• InChIKey: WXTGJSQDPXBYSA-UHFFFAOYSA-N
• XLogP: 9.72
• TPSA: 24.30 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	771.87
LogP ≤ 5	9.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[2-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]propan-2-yl]-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[2-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]propan-2-yl]-1H-carbazol-1-ide;platinum(2+) (CID 167382175) is 9-(4-tert-butyl-2-pyridinyl)-2-[2-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]propan-2-yl]-1H-carbazol-1-ide;platinum(2+).

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

The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-[2-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]propan-2-yl]-1H-carbazol-1-ide;platinum(2+) is CC(C)N1CN(c2[c-]c(C(C)(C)c3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(C)(C)C)ccn3)ccc2)c2ccccc21.[Pt+2].

What is the InChIKey of 9-(4-tert-butyl-2-pyridinyl)-2-[2-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]propan-2-yl]-1H-carbazol-1-ide;platinum(2+)?

The InChIKey is WXTGJSQDPXBYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H40N4.Pt/c1-27(2)42-26-43(36-18-11-10-17-35(36)42)31-14-12-13-29(23-31)40(6,7)30-19-20-33-32-15-8-9-16-34(32)44(37(33)24-30)38-25-28(21-22-41-38)39(3,4)5;/h8-22,25,27H,26H2,1-7H3;/q-2;+2.

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

9-(4-tert-butyl-2-pyridinyl)-2-[2-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]propan-2-yl]-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 771.87 g/mol, XLogP of 9.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-tert-butyl-2-pyridinyl)-2-[2-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]propan-2-yl]-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 167382175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).