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

C46H46N3OPt- — CID 177110719

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

4-tert-butyl-2-[1-(4-tert-butylphenyl)-4-[3-(6-tert-butylquinolin-8-yl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum (PubChem CID 177110719) has the molecular formula C46H46N3OPt- and a molecular weight of 851.97 g/mol. Its IUPAC name is 4-tert-butyl-2-[1-(4-tert-butylphenyl)-4-[3-(6-tert-butylquinolin-8-yl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum.

Molecular Properties

• Compound Name: 4-tert-butyl-2-[1-(4-tert-butylphenyl)-4-[3-(6-tert-butylquinolin-8-yl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum
• PubChem CID: 177110719
• Molecular Formula: C46H46N3OPt-
• Molecular Weight: 851.97 g/mol
• Exact Mass: 851.33
• IUPAC Name: 4-tert-butyl-2-[1-(4-tert-butylphenyl)-4-[3-(6-tert-butylquinolin-8-yl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum
• SMILES: CC(C)(C)c1ccc(-n2c(-c3cc(C(C)(C)C)ccc3O)nc3c(-c4[c-]c(-c5cc(C(C)(C)C)cc6cccnc56)ccc4)cccc32)cc1.[Pt]
• InChI: InChI=1S/C46H46N3O.Pt/c1-44(2,3)32-18-21-35(22-19-32)49-39-17-11-16-36(42(39)48-43(49)38-27-33(45(4,5)6)20-23-40(38)50)29-13-10-14-30(25-29)37-28-34(46(7,8)9)26-31-15-12-24-47-41(31)37;/h10-24,26-28,50H,1-9H3;/q-1
• InChIKey: UJTNTBXGNDCOBK-UHFFFAOYSA-N
• XLogP: 11.97
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	851.97
LogP ≤ 5	11.97
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-[1-(4-tert-butylphenyl)-4-[3-(6-tert-butylquinolin-8-yl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum?

The IUPAC name of 4-tert-butyl-2-[1-(4-tert-butylphenyl)-4-[3-(6-tert-butylquinolin-8-yl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum (CID 177110719) is 4-tert-butyl-2-[1-(4-tert-butylphenyl)-4-[3-(6-tert-butylquinolin-8-yl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum.

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

The canonical SMILES for 4-tert-butyl-2-[1-(4-tert-butylphenyl)-4-[3-(6-tert-butylquinolin-8-yl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum is CC(C)(C)c1ccc(-n2c(-c3cc(C(C)(C)C)ccc3O)nc3c(-c4[c-]c(-c5cc(C(C)(C)C)cc6cccnc56)ccc4)cccc32)cc1.[Pt].

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

The InChIKey is UJTNTBXGNDCOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H46N3O.Pt/c1-44(2,3)32-18-21-35(22-19-32)49-39-17-11-16-36(42(39)48-43(49)38-27-33(45(4,5)6)20-23-40(38)50)29-13-10-14-30(25-29)37-28-34(46(7,8)9)26-31-15-12-24-47-41(31)37;/h10-24,26-28,50H,1-9H3;/q-1;.

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

4-tert-butyl-2-[1-(4-tert-butylphenyl)-4-[3-(6-tert-butylquinolin-8-yl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum has a molecular weight of 851.97 g/mol, XLogP of 11.97, 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-[1-(4-tert-butylphenyl)-4-[3-(6-tert-butylquinolin-8-yl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 177110719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).