2-[1-[3,5-bis[4-(trifluoromethyl)phenyl]phenyl]-4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)benzimidazol-2-yl]phenol;platinum

C48H34F6N3OPt- — CID 167355646

About 2-[1-[3,5-bis[4-(trifluoromethyl)phenyl]phenyl]-4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)benzimidazol-2-yl]phenol;platinum

2-[1-[3,5-bis[4-(trifluoromethyl)phenyl]phenyl]-4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)benzimidazol-2-yl]phenol;platinum (PubChem CID 167355646) has the molecular formula C48H34F6N3OPt- and a molecular weight of 977.89 g/mol. Its IUPAC name is 2-[1-[3,5-bis[4-(trifluoromethyl)phenyl]phenyl]-4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)benzimidazol-2-yl]phenol;platinum.

Molecular Properties

• Compound Name: 2-[1-[3,5-bis[4-(trifluoromethyl)phenyl]phenyl]-4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)benzimidazol-2-yl]phenol;platinum
• PubChem CID: 167355646
• Molecular Formula: C48H34F6N3OPt-
• Molecular Weight: 977.89 g/mol
• Exact Mass: 977.23
• IUPAC Name: 2-[1-[3,5-bis[4-(trifluoromethyl)phenyl]phenyl]-4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)benzimidazol-2-yl]phenol;platinum
• SMILES: CC(C)(C)c1cc(-c2ccccn2)[c-]c(-c2cccc3c2nc(-c2ccccc2O)n3-c2cc(-c3ccc(C(F)(F)F)cc3)cc(-c3ccc(C(F)(F)F)cc3)c2)c1.[Pt]
• InChI: InChI=1S/C48H34F6N3O.Pt/c1-46(2,3)37-25-33(24-34(26-37)41-11-6-7-22-55-41)39-10-8-12-42-44(39)56-45(40-9-4-5-13-43(40)58)57(42)38-27-31(29-14-18-35(19-15-29)47(49,50)51)23-32(28-38)30-16-20-36(21-17-30)48(52,53)54;/h4-23,25-28,58H,1-3H3;/q-1
• InChIKey: INYUDCATKFSZSR-UHFFFAOYSA-N
• XLogP: 13.59
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	977.89
LogP ≤ 5	13.59
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-[3,5-bis[4-(trifluoromethyl)phenyl]phenyl]-4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)benzimidazol-2-yl]phenol;platinum?

The IUPAC name of 2-[1-[3,5-bis[4-(trifluoromethyl)phenyl]phenyl]-4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)benzimidazol-2-yl]phenol;platinum (CID 167355646) is 2-[1-[3,5-bis[4-(trifluoromethyl)phenyl]phenyl]-4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)benzimidazol-2-yl]phenol;platinum.

What is the SMILES notation for 2-[1-[3,5-bis[4-(trifluoromethyl)phenyl]phenyl]-4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)benzimidazol-2-yl]phenol;platinum?

The canonical SMILES for 2-[1-[3,5-bis[4-(trifluoromethyl)phenyl]phenyl]-4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)benzimidazol-2-yl]phenol;platinum is CC(C)(C)c1cc(-c2ccccn2)[c-]c(-c2cccc3c2nc(-c2ccccc2O)n3-c2cc(-c3ccc(C(F)(F)F)cc3)cc(-c3ccc(C(F)(F)F)cc3)c2)c1.[Pt].

What is the InChIKey of 2-[1-[3,5-bis[4-(trifluoromethyl)phenyl]phenyl]-4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)benzimidazol-2-yl]phenol;platinum?

The InChIKey is INYUDCATKFSZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34F6N3O.Pt/c1-46(2,3)37-25-33(24-34(26-37)41-11-6-7-22-55-41)39-10-8-12-42-44(39)56-45(40-9-4-5-13-43(40)58)57(42)38-27-31(29-14-18-35(19-15-29)47(49,50)51)23-32(28-38)30-16-20-36(21-17-30)48(52,53)54;/h4-23,25-28,58H,1-3H3;/q-1;.

What are the key properties of 2-[1-[3,5-bis[4-(trifluoromethyl)phenyl]phenyl]-4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)benzimidazol-2-yl]phenol;platinum?

2-[1-[3,5-bis[4-(trifluoromethyl)phenyl]phenyl]-4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)benzimidazol-2-yl]phenol;platinum has a molecular weight of 977.89 g/mol, XLogP of 13.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[3,5-bis[4-(trifluoromethyl)phenyl]phenyl]-4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)benzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 167355646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).