4-tert-butyl-2-[4-[3-(6-tert-butyl-4-methylquinolin-8-yl)benzene-2-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;platinum

C43H40N3OPt- — CID 177109975

About 4-tert-butyl-2-[4-[3-(6-tert-butyl-4-methylquinolin-8-yl)benzene-2-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;platinum

4-tert-butyl-2-[4-[3-(6-tert-butyl-4-methylquinolin-8-yl)benzene-2-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;platinum (PubChem CID 177109975) has the molecular formula C43H40N3OPt- and a molecular weight of 809.89 g/mol. Its IUPAC name is 4-tert-butyl-2-[4-[3-(6-tert-butyl-4-methylquinolin-8-yl)benzene-2-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;platinum.

Molecular Properties

• Compound Name: 4-tert-butyl-2-[4-[3-(6-tert-butyl-4-methylquinolin-8-yl)benzene-2-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;platinum
• PubChem CID: 177109975
• Molecular Formula: C43H40N3OPt-
• Molecular Weight: 809.89 g/mol
• Exact Mass: 809.28
• IUPAC Name: 4-tert-butyl-2-[4-[3-(6-tert-butyl-4-methylquinolin-8-yl)benzene-2-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;platinum
• SMILES: Cc1ccnc2c(-c3[c-]c(-c4cccc5c4nc(-c4cc(C(C)(C)C)ccc4O)n5-c4ccccc4)ccc3)cc(C(C)(C)C)cc12.[Pt]
• InChI: InChI=1S/C43H40N3O.Pt/c1-27-21-22-44-39-34(27)25-31(43(5,6)7)26-35(39)29-14-11-13-28(23-29)33-17-12-18-37-40(33)45-41(46(37)32-15-9-8-10-16-32)36-24-30(42(2,3)4)19-20-38(36)47;/h8-22,24-26,47H,1-7H3;/q-1
• InChIKey: CJRFCOIVDCOGHO-UHFFFAOYSA-N
• XLogP: 10.98
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	809.89
LogP ≤ 5	10.98
H-Bond Donors ≤ 5	1
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 4-tert-butyl-2-[4-[3-(6-tert-butyl-4-methylquinolin-8-yl)benzene-2-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;platinum?

The IUPAC name of 4-tert-butyl-2-[4-[3-(6-tert-butyl-4-methylquinolin-8-yl)benzene-2-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;platinum (CID 177109975) is 4-tert-butyl-2-[4-[3-(6-tert-butyl-4-methylquinolin-8-yl)benzene-2-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;platinum.

What is the SMILES notation for 4-tert-butyl-2-[4-[3-(6-tert-butyl-4-methylquinolin-8-yl)benzene-2-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;platinum?

The canonical SMILES for 4-tert-butyl-2-[4-[3-(6-tert-butyl-4-methylquinolin-8-yl)benzene-2-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;platinum is Cc1ccnc2c(-c3[c-]c(-c4cccc5c4nc(-c4cc(C(C)(C)C)ccc4O)n5-c4ccccc4)ccc3)cc(C(C)(C)C)cc12.[Pt].

What is the InChIKey of 4-tert-butyl-2-[4-[3-(6-tert-butyl-4-methylquinolin-8-yl)benzene-2-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;platinum?

The InChIKey is CJRFCOIVDCOGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H40N3O.Pt/c1-27-21-22-44-39-34(27)25-31(43(5,6)7)26-35(39)29-14-11-13-28(23-29)33-17-12-18-37-40(33)45-41(46(37)32-15-9-8-10-16-32)36-24-30(42(2,3)4)19-20-38(36)47;/h8-22,24-26,47H,1-7H3;/q-1;.

What are the key properties of 4-tert-butyl-2-[4-[3-(6-tert-butyl-4-methylquinolin-8-yl)benzene-2-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;platinum?

4-tert-butyl-2-[4-[3-(6-tert-butyl-4-methylquinolin-8-yl)benzene-2-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;platinum has a molecular weight of 809.89 g/mol, XLogP of 10.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-2-[4-[3-(6-tert-butyl-4-methylquinolin-8-yl)benzene-2-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 177109975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).