2-[1-(4-tert-butylphenyl)-4-(4-tert-butyl-3-quinolin-8-ylbenzene-2-id-1-yl)-7-(trifluoromethyl)benzimidazol-2-yl]phenol;platinum

C43H37F3N3OPt- — CID 177110141

About 2-[1-(4-tert-butylphenyl)-4-(4-tert-butyl-3-quinolin-8-ylbenzene-2-id-1-yl)-7-(trifluoromethyl)benzimidazol-2-yl]phenol;platinum

2-[1-(4-tert-butylphenyl)-4-(4-tert-butyl-3-quinolin-8-ylbenzene-2-id-1-yl)-7-(trifluoromethyl)benzimidazol-2-yl]phenol;platinum (PubChem CID 177110141) has the molecular formula C43H37F3N3OPt- and a molecular weight of 863.86 g/mol. Its IUPAC name is 2-[1-(4-tert-butylphenyl)-4-(4-tert-butyl-3-quinolin-8-ylbenzene-2-id-1-yl)-7-(trifluoromethyl)benzimidazol-2-yl]phenol;platinum.

Molecular Properties

• Compound Name: 2-[1-(4-tert-butylphenyl)-4-(4-tert-butyl-3-quinolin-8-ylbenzene-2-id-1-yl)-7-(trifluoromethyl)benzimidazol-2-yl]phenol;platinum
• PubChem CID: 177110141
• Molecular Formula: C43H37F3N3OPt-
• Molecular Weight: 863.86 g/mol
• Exact Mass: 863.25
• IUPAC Name: 2-[1-(4-tert-butylphenyl)-4-(4-tert-butyl-3-quinolin-8-ylbenzene-2-id-1-yl)-7-(trifluoromethyl)benzimidazol-2-yl]phenol;platinum
• SMILES: CC(C)(C)c1ccc(-n2c(-c3ccccc3O)nc3c(-c4[c-]c(-c5cccc6cccnc56)c(C(C)(C)C)cc4)ccc(C(F)(F)F)c32)cc1.[Pt]
• InChI: InChI=1S/C43H37F3N3O.Pt/c1-41(2,3)28-17-19-29(20-18-28)49-39-35(43(44,45)46)23-21-30(38(39)48-40(49)32-13-7-8-15-36(32)50)27-16-22-34(42(4,5)6)33(25-27)31-14-9-11-26-12-10-24-47-37(26)31;/h7-24,50H,1-6H3;/q-1
• InChIKey: SJZXZIGFGSRNAV-UHFFFAOYSA-N
• XLogP: 11.69
• 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	863.86
LogP ≤ 5	11.69
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 2-[1-(4-tert-butylphenyl)-4-(4-tert-butyl-3-quinolin-8-ylbenzene-2-id-1-yl)-7-(trifluoromethyl)benzimidazol-2-yl]phenol;platinum?

The IUPAC name of 2-[1-(4-tert-butylphenyl)-4-(4-tert-butyl-3-quinolin-8-ylbenzene-2-id-1-yl)-7-(trifluoromethyl)benzimidazol-2-yl]phenol;platinum (CID 177110141) is 2-[1-(4-tert-butylphenyl)-4-(4-tert-butyl-3-quinolin-8-ylbenzene-2-id-1-yl)-7-(trifluoromethyl)benzimidazol-2-yl]phenol;platinum.

What is the SMILES notation for 2-[1-(4-tert-butylphenyl)-4-(4-tert-butyl-3-quinolin-8-ylbenzene-2-id-1-yl)-7-(trifluoromethyl)benzimidazol-2-yl]phenol;platinum?

The canonical SMILES for 2-[1-(4-tert-butylphenyl)-4-(4-tert-butyl-3-quinolin-8-ylbenzene-2-id-1-yl)-7-(trifluoromethyl)benzimidazol-2-yl]phenol;platinum is CC(C)(C)c1ccc(-n2c(-c3ccccc3O)nc3c(-c4[c-]c(-c5cccc6cccnc56)c(C(C)(C)C)cc4)ccc(C(F)(F)F)c32)cc1.[Pt].

What is the InChIKey of 2-[1-(4-tert-butylphenyl)-4-(4-tert-butyl-3-quinolin-8-ylbenzene-2-id-1-yl)-7-(trifluoromethyl)benzimidazol-2-yl]phenol;platinum?

The InChIKey is SJZXZIGFGSRNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H37F3N3O.Pt/c1-41(2,3)28-17-19-29(20-18-28)49-39-35(43(44,45)46)23-21-30(38(39)48-40(49)32-13-7-8-15-36(32)50)27-16-22-34(42(4,5)6)33(25-27)31-14-9-11-26-12-10-24-47-37(26)31;/h7-24,50H,1-6H3;/q-1;.

What are the key properties of 2-[1-(4-tert-butylphenyl)-4-(4-tert-butyl-3-quinolin-8-ylbenzene-2-id-1-yl)-7-(trifluoromethyl)benzimidazol-2-yl]phenol;platinum?

2-[1-(4-tert-butylphenyl)-4-(4-tert-butyl-3-quinolin-8-ylbenzene-2-id-1-yl)-7-(trifluoromethyl)benzimidazol-2-yl]phenol;platinum has a molecular weight of 863.86 g/mol, XLogP of 11.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(4-tert-butylphenyl)-4-(4-tert-butyl-3-quinolin-8-ylbenzene-2-id-1-yl)-7-(trifluoromethyl)benzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 177110141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).