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

C37H34N4PtS — CID 167401440

About 2-[3-(3-tert-butyl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]sulfanyl-9-(4-propan-2-yl-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-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (PubChem CID 167401440) has the molecular formula C37H34N4PtS and a molecular weight of 761.85 g/mol. Its IUPAC name is 2-[3-(3-tert-butyl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]sulfanyl-9-(4-propan-2-yl-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-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 167401440
• Molecular Formula: C37H34N4PtS
• Molecular Weight: 761.85 g/mol
• Exact Mass: 761.22
• IUPAC Name: 2-[3-(3-tert-butyl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]sulfanyl-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• SMILES: CC(C)c1ccnc(-n2c3[c-]c(Sc4[c-]c(N5CN(C(C)(C)C)c6ccccc65)ccc4)ccc3c3ccccc32)c1.[Pt+2]
• InChI: InChI=1S/C37H34N4S.Pt/c1-25(2)26-19-20-38-36(21-26)41-32-14-7-6-13-30(32)31-18-17-29(23-35(31)41)42-28-12-10-11-27(22-28)39-24-40(37(3,4)5)34-16-9-8-15-33(34)39;/h6-21,25H,24H2,1-5H3;/q-2;+2
• InChIKey: NLNXBNWHHAPZIP-UHFFFAOYSA-N
• XLogP: 9.77
• TPSA: 24.30 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	761.85
LogP ≤ 5	9.77
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-propan-2-yl-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-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (CID 167401440) is 2-[3-(3-tert-butyl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]sulfanyl-9-(4-propan-2-yl-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-propan-2-yl-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-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is CC(C)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-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?

The InChIKey is NLNXBNWHHAPZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H34N4S.Pt/c1-25(2)26-19-20-38-36(21-26)41-32-14-7-6-13-30(32)31-18-17-29(23-35(31)41)42-28-12-10-11-27(22-28)39-24-40(37(3,4)5)34-16-9-8-15-33(34)39;/h6-21,25H,24H2,1-5H3;/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-propan-2-yl-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-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 761.85 g/mol, XLogP of 9.77, 5 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-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 167401440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).