7-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[2,6-di(propan-2-yl)phenyl]-6-(2,2,2-trifluoroethyl)benzimidazol-2-yl]quinolin-8-ol;platinum

C51H46F3N4OPt- — CID 177293741

About 7-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[2,6-di(propan-2-yl)phenyl]-6-(2,2,2-trifluoroethyl)benzimidazol-2-yl]quinolin-8-ol;platinum

7-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[2,6-di(propan-2-yl)phenyl]-6-(2,2,2-trifluoroethyl)benzimidazol-2-yl]quinolin-8-ol;platinum (PubChem CID 177293741) has the molecular formula C51H46F3N4OPt- and a molecular weight of 983.03 g/mol. Its IUPAC name is 7-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[2,6-di(propan-2-yl)phenyl]-6-(2,2,2-trifluoroethyl)benzimidazol-2-yl]quinolin-8-ol;platinum.

Molecular Properties

• Compound Name: 7-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[2,6-di(propan-2-yl)phenyl]-6-(2,2,2-trifluoroethyl)benzimidazol-2-yl]quinolin-8-ol;platinum
• PubChem CID: 177293741
• Molecular Formula: C51H46F3N4OPt-
• Molecular Weight: 983.03 g/mol
• Exact Mass: 982.33
• IUPAC Name: 7-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[2,6-di(propan-2-yl)phenyl]-6-(2,2,2-trifluoroethyl)benzimidazol-2-yl]quinolin-8-ol;platinum
• SMILES: CC(C)c1cccc(C(C)C)c1-n1c(-c2ccc3cccnc3c2O)nc2c(-c3[c-]c(-c4cc(-c5ccccc5)ccn4)cc(C(C)(C)C)c3)cc(CC(F)(F)F)cc21.[Pt]
• InChI: InChI=1S/C51H46F3N4O.Pt/c1-30(2)39-16-11-17-40(31(3)4)47(39)58-44-24-32(29-51(52,53)54)23-42(46(44)57-49(58)41-19-18-34-15-12-21-56-45(34)48(41)59)36-25-37(27-38(26-36)50(5,6)7)43-28-35(20-22-55-43)33-13-9-8-10-14-33;/h8-24,26-28,30-31,59H,29H2,1-7H3;/q-1
• InChIKey: JCVCHFBNTCCULT-UHFFFAOYSA-N
• XLogP: 13.79
• TPSA: 63.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	983.03
LogP ≤ 5	13.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[2,6-di(propan-2-yl)phenyl]-6-(2,2,2-trifluoroethyl)benzimidazol-2-yl]quinolin-8-ol;platinum?

The IUPAC name of 7-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[2,6-di(propan-2-yl)phenyl]-6-(2,2,2-trifluoroethyl)benzimidazol-2-yl]quinolin-8-ol;platinum (CID 177293741) is 7-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[2,6-di(propan-2-yl)phenyl]-6-(2,2,2-trifluoroethyl)benzimidazol-2-yl]quinolin-8-ol;platinum.

What is the SMILES notation for 7-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[2,6-di(propan-2-yl)phenyl]-6-(2,2,2-trifluoroethyl)benzimidazol-2-yl]quinolin-8-ol;platinum?

The canonical SMILES for 7-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[2,6-di(propan-2-yl)phenyl]-6-(2,2,2-trifluoroethyl)benzimidazol-2-yl]quinolin-8-ol;platinum is CC(C)c1cccc(C(C)C)c1-n1c(-c2ccc3cccnc3c2O)nc2c(-c3[c-]c(-c4cc(-c5ccccc5)ccn4)cc(C(C)(C)C)c3)cc(CC(F)(F)F)cc21.[Pt].

What is the InChIKey of 7-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[2,6-di(propan-2-yl)phenyl]-6-(2,2,2-trifluoroethyl)benzimidazol-2-yl]quinolin-8-ol;platinum?

The InChIKey is JCVCHFBNTCCULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H46F3N4O.Pt/c1-30(2)39-16-11-17-40(31(3)4)47(39)58-44-24-32(29-51(52,53)54)23-42(46(44)57-49(58)41-19-18-34-15-12-21-56-45(34)48(41)59)36-25-37(27-38(26-36)50(5,6)7)43-28-35(20-22-55-43)33-13-9-8-10-14-33;/h8-24,26-28,30-31,59H,29H2,1-7H3;/q-1;.

What are the key properties of 7-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[2,6-di(propan-2-yl)phenyl]-6-(2,2,2-trifluoroethyl)benzimidazol-2-yl]quinolin-8-ol;platinum?

7-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[2,6-di(propan-2-yl)phenyl]-6-(2,2,2-trifluoroethyl)benzimidazol-2-yl]quinolin-8-ol;platinum has a molecular weight of 983.03 g/mol, XLogP of 13.79, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[2,6-di(propan-2-yl)phenyl]-6-(2,2,2-trifluoroethyl)benzimidazol-2-yl]quinolin-8-ol;platinum is sourced from PubChem (CID 177293741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).