9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-methyl-5-phenoxyimidazol-3-ium-1-yl)phenoxy]carbazole;platinum(2+)

C37H33N4O2Pt+3 — CID 175822532

About 9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-methyl-5-phenoxyimidazol-3-ium-1-yl)phenoxy]carbazole;platinum(2+)

9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-methyl-5-phenoxyimidazol-3-ium-1-yl)phenoxy]carbazole;platinum(2+) (PubChem CID 175822532) has the molecular formula C37H33N4O2Pt+3 and a molecular weight of 760.78 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-methyl-5-phenoxyimidazol-3-ium-1-yl)phenoxy]carbazole;platinum(2+).

Molecular Properties

• Compound Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-methyl-5-phenoxyimidazol-3-ium-1-yl)phenoxy]carbazole;platinum(2+)
• PubChem CID: 175822532
• Molecular Formula: C37H33N4O2Pt+3
• Molecular Weight: 760.78 g/mol
• Exact Mass: 760.22
• IUPAC Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-methyl-5-phenoxyimidazol-3-ium-1-yl)phenoxy]carbazole;platinum(2+)
• SMILES: C[n+]1cc(Oc2ccccc2)n(-c2cccc(Oc3ccc4c5ccccc5n(-c5cc(C(C)(C)C)ccn5)c4c3)c2)c1.[Pt+2]
• InChI: InChI=1S/C37H33N4O2.Pt/c1-37(2,3)26-19-20-38-35(21-26)41-33-16-9-8-15-31(33)32-18-17-30(23-34(32)41)42-29-14-10-11-27(22-29)40-25-39(4)24-36(40)43-28-12-6-5-7-13-28;/h5-25H,1-4H3;/q+1;+2
• InChIKey: XGLIQSWIOJOVNQ-UHFFFAOYSA-N
• XLogP: 8.67
• TPSA: 45.09 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	760.78
LogP ≤ 5	8.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-methyl-5-phenoxyimidazol-3-ium-1-yl)phenoxy]carbazole;platinum(2+)?

The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-methyl-5-phenoxyimidazol-3-ium-1-yl)phenoxy]carbazole;platinum(2+) (CID 175822532) is 9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-methyl-5-phenoxyimidazol-3-ium-1-yl)phenoxy]carbazole;platinum(2+).

What is the SMILES notation for 9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-methyl-5-phenoxyimidazol-3-ium-1-yl)phenoxy]carbazole;platinum(2+)?

The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-methyl-5-phenoxyimidazol-3-ium-1-yl)phenoxy]carbazole;platinum(2+) is C[n+]1cc(Oc2ccccc2)n(-c2cccc(Oc3ccc4c5ccccc5n(-c5cc(C(C)(C)C)ccn5)c4c3)c2)c1.[Pt+2].

What is the InChIKey of 9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-methyl-5-phenoxyimidazol-3-ium-1-yl)phenoxy]carbazole;platinum(2+)?

The InChIKey is XGLIQSWIOJOVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H33N4O2.Pt/c1-37(2,3)26-19-20-38-35(21-26)41-33-16-9-8-15-31(33)32-18-17-30(23-34(32)41)42-29-14-10-11-27(22-29)40-25-39(4)24-36(40)43-28-12-6-5-7-13-28;/h5-25H,1-4H3;/q+1;+2.

What are the key properties of 9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-methyl-5-phenoxyimidazol-3-ium-1-yl)phenoxy]carbazole;platinum(2+)?

9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-methyl-5-phenoxyimidazol-3-ium-1-yl)phenoxy]carbazole;platinum(2+) has a molecular weight of 760.78 g/mol, XLogP of 8.67, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-methyl-5-phenoxyimidazol-3-ium-1-yl)phenoxy]carbazole;platinum(2+) is sourced from PubChem (CID 175822532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).