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

C48H42N3OPt- — CID 177110552

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

4-tert-butyl-2-[4-[3-(6-tert-butyl-4-phenylquinolin-8-yl)benzene-2-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;platinum (PubChem CID 177110552) has the molecular formula C48H42N3OPt- and a molecular weight of 871.96 g/mol. Its IUPAC name is 4-tert-butyl-2-[4-[3-(6-tert-butyl-4-phenylquinolin-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-phenylquinolin-8-yl)benzene-2-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;platinum
• PubChem CID: 177110552
• Molecular Formula: C48H42N3OPt-
• Molecular Weight: 871.96 g/mol
• Exact Mass: 871.30
• IUPAC Name: 4-tert-butyl-2-[4-[3-(6-tert-butyl-4-phenylquinolin-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)cc6c(-c7ccccc7)ccnc56)ccc4)cccc3n2-c2ccccc2)c1.[Pt]
• InChI: InChI=1S/C48H42N3O.Pt/c1-47(2,3)34-23-24-43(52)41(28-34)46-50-45-38(21-14-22-42(45)51(46)36-19-11-8-12-20-36)32-17-13-18-33(27-32)39-29-35(48(4,5)6)30-40-37(25-26-49-44(39)40)31-15-9-7-10-16-31;/h7-26,28-30,52H,1-6H3;/q-1
• InChIKey: HVWIUZNDZITMPI-UHFFFAOYSA-N
• XLogP: 12.34
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	871.96
LogP ≤ 5	12.34
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-phenylquinolin-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-phenylquinolin-8-yl)benzene-2-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;platinum (CID 177110552) is 4-tert-butyl-2-[4-[3-(6-tert-butyl-4-phenylquinolin-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-phenylquinolin-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-phenylquinolin-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)cc6c(-c7ccccc7)ccnc56)ccc4)cccc3n2-c2ccccc2)c1.[Pt].

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

The InChIKey is HVWIUZNDZITMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H42N3O.Pt/c1-47(2,3)34-23-24-43(52)41(28-34)46-50-45-38(21-14-22-42(45)51(46)36-19-11-8-12-20-36)32-17-13-18-33(27-32)39-29-35(48(4,5)6)30-40-37(25-26-49-44(39)40)31-15-9-7-10-16-31;/h7-26,28-30,52H,1-6H3;/q-1;.

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

4-tert-butyl-2-[4-[3-(6-tert-butyl-4-phenylquinolin-8-yl)benzene-2-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;platinum has a molecular weight of 871.96 g/mol, XLogP of 12.34, 5 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-phenylquinolin-8-yl)benzene-2-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 177110552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).