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

C43H38N4PtS — CID 167401813

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

2-[3-(3-tert-butyl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]sulfanyl-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+) (PubChem CID 167401813) has the molecular formula C43H38N4PtS and a molecular weight of 837.95 g/mol. Its IUPAC name is 2-[3-(3-tert-butyl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]sulfanyl-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 2-[3-(3-tert-butyl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]sulfanyl-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 167401813
• Molecular Formula: C43H38N4PtS
• Molecular Weight: 837.95 g/mol
• Exact Mass: 837.25
• IUPAC Name: 2-[3-(3-tert-butyl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]sulfanyl-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)
• SMILES: CC(C)c1ccccc1-c1ccnc(-n2c3[c-]c(Sc4[c-]c(N5CN(C(C)(C)C)c6ccccc65)ccc4)ccc3c3ccccc32)c1.[Pt+2]
• InChI: InChI=1S/C43H38N4S.Pt/c1-29(2)34-15-6-7-16-35(34)30-23-24-44-42(25-30)47-38-18-9-8-17-36(38)37-22-21-33(27-41(37)47)48-32-14-12-13-31(26-32)45-28-46(43(3,4)5)40-20-11-10-19-39(40)45;/h6-25,29H,28H2,1-5H3;/q-2;+2
• InChIKey: VHUHWVYKTNAOIM-UHFFFAOYSA-N
• XLogP: 11.43
• TPSA: 24.30 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	837.95
LogP ≤ 5	11.43
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 2-[3-(3-tert-butyl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]sulfanyl-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 2-[3-(3-tert-butyl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]sulfanyl-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+) (CID 167401813) is 2-[3-(3-tert-butyl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]sulfanyl-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+).

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

The canonical SMILES for 2-[3-(3-tert-butyl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]sulfanyl-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+) is CC(C)c1ccccc1-c1ccnc(-n2c3[c-]c(Sc4[c-]c(N5CN(C(C)(C)C)c6ccccc65)ccc4)ccc3c3ccccc32)c1.[Pt+2].

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

The InChIKey is VHUHWVYKTNAOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H38N4S.Pt/c1-29(2)34-15-6-7-16-35(34)30-23-24-44-42(25-30)47-38-18-9-8-17-36(38)37-22-21-33(27-41(37)47)48-32-14-12-13-31(26-32)45-28-46(43(3,4)5)40-20-11-10-19-39(40)45;/h6-25,29H,28H2,1-5H3;/q-2;+2.

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

2-[3-(3-tert-butyl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]sulfanyl-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 837.95 g/mol, XLogP of 11.43, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(3-tert-butyl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]sulfanyl-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 167401813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).