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

C43H38N4Pt — CID 167381532

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

2-[2-[3-(3-tert-butyl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]propan-2-yl]-9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (PubChem CID 167381532) has the molecular formula C43H38N4Pt and a molecular weight of 805.88 g/mol. Its IUPAC name is 2-[2-[3-(3-tert-butyl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]propan-2-yl]-9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 2-[2-[3-(3-tert-butyl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]propan-2-yl]-9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 167381532
• Molecular Formula: C43H38N4Pt
• Molecular Weight: 805.88 g/mol
• Exact Mass: 805.27
• IUPAC Name: 2-[2-[3-(3-tert-butyl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]propan-2-yl]-9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• SMILES: CC(C)(c1[c-]c(N2CN(C(C)(C)C)c3ccccc32)ccc1)c1[c-]c2c(cc1)c1ccccc1n2-c1cc(-c2ccccc2)ccn1.[Pt+2]
• InChI: InChI=1S/C43H38N4.Pt/c1-42(2,3)46-29-45(38-20-11-12-21-39(38)46)34-17-13-16-32(27-34)43(4,5)33-22-23-36-35-18-9-10-19-37(35)47(40(36)28-33)41-26-31(24-25-44-41)30-14-7-6-8-15-30;/h6-26H,29H2,1-5H3;/q-2;+2
• InChIKey: HFUMXJMXZKWSPQ-UHFFFAOYSA-N
• XLogP: 10.48
• TPSA: 24.30 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	805.88
LogP ≤ 5	10.48
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 2-[2-[3-(3-tert-butyl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]propan-2-yl]-9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 2-[2-[3-(3-tert-butyl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]propan-2-yl]-9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (CID 167381532) is 2-[2-[3-(3-tert-butyl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]propan-2-yl]-9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+).

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

The canonical SMILES for 2-[2-[3-(3-tert-butyl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]propan-2-yl]-9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is CC(C)(c1[c-]c(N2CN(C(C)(C)C)c3ccccc32)ccc1)c1[c-]c2c(cc1)c1ccccc1n2-c1cc(-c2ccccc2)ccn1.[Pt+2].

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

The InChIKey is HFUMXJMXZKWSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H38N4.Pt/c1-42(2,3)46-29-45(38-20-11-12-21-39(38)46)34-17-13-16-32(27-34)43(4,5)33-22-23-36-35-18-9-10-19-37(35)47(40(36)28-33)41-26-31(24-25-44-41)30-14-7-6-8-15-30;/h6-26H,29H2,1-5H3;/q-2;+2.

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

2-[2-[3-(3-tert-butyl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]propan-2-yl]-9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 805.88 g/mol, XLogP of 10.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[3-(3-tert-butyl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]propan-2-yl]-9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 167381532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).