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

C42H38N3OPt- — CID 177110396

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

4-tert-butyl-2-[4-[3-(6-tert-butylquinolin-8-yl)benzene-2-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;platinum (PubChem CID 177110396) has the molecular formula C42H38N3OPt- and a molecular weight of 795.86 g/mol. Its IUPAC name is 4-tert-butyl-2-[4-[3-(6-tert-butylquinolin-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-butylquinolin-8-yl)benzene-2-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;platinum
• PubChem CID: 177110396
• Molecular Formula: C42H38N3OPt-
• Molecular Weight: 795.86 g/mol
• Exact Mass: 795.27
• IUPAC Name: 4-tert-butyl-2-[4-[3-(6-tert-butylquinolin-8-yl)benzene-2-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;platinum
• SMILES: CC(C)(C)c1ccc(O)c(-c2nc3c(-c4[c-]c(-c5cc(C(C)(C)C)cc6cccnc56)ccc4)cccc3n2-c2ccccc2)c1.[Pt]
• InChI: InChI=1S/C42H38N3O.Pt/c1-41(2,3)30-20-21-37(46)35(25-30)40-44-39-33(18-11-19-36(39)45(40)32-16-8-7-9-17-32)27-13-10-14-28(23-27)34-26-31(42(4,5)6)24-29-15-12-22-43-38(29)34;/h7-22,24-26,46H,1-6H3;/q-1
• InChIKey: HHRJERKWVOIXJP-UHFFFAOYSA-N
• XLogP: 10.67
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	795.86
LogP ≤ 5	10.67
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-butylquinolin-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-butylquinolin-8-yl)benzene-2-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;platinum (CID 177110396) is 4-tert-butyl-2-[4-[3-(6-tert-butylquinolin-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-butylquinolin-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-butylquinolin-8-yl)benzene-2-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;platinum is CC(C)(C)c1ccc(O)c(-c2nc3c(-c4[c-]c(-c5cc(C(C)(C)C)cc6cccnc56)ccc4)cccc3n2-c2ccccc2)c1.[Pt].

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

The InChIKey is HHRJERKWVOIXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H38N3O.Pt/c1-41(2,3)30-20-21-37(46)35(25-30)40-44-39-33(18-11-19-36(39)45(40)32-16-8-7-9-17-32)27-13-10-14-28(23-27)34-26-31(42(4,5)6)24-29-15-12-22-43-38(29)34;/h7-22,24-26,46H,1-6H3;/q-1;.

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

4-tert-butyl-2-[4-[3-(6-tert-butylquinolin-8-yl)benzene-2-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;platinum has a molecular weight of 795.86 g/mol, XLogP of 10.67, 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-butylquinolin-8-yl)benzene-2-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 177110396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).