[3,5-bis(trifluoromethyl)phenyl]-[4-(6-phenyl-3-pyridinyl)phenyl]methanone;(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;platinum

C37H34F6NO3Pt- — CID 59538619

About [3,5-bis(trifluoromethyl)phenyl]-[4-(6-phenyl-3-pyridinyl)phenyl]methanone;(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;platinum

[3,5-bis(trifluoromethyl)phenyl]-[4-(6-phenyl-3-pyridinyl)phenyl]methanone;(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;platinum (PubChem CID 59538619) has the molecular formula C37H34F6NO3Pt- and a molecular weight of 849.75 g/mol. Its IUPAC name is [3,5-bis(trifluoromethyl)phenyl]-[4-(6-phenyl-3-pyridinyl)phenyl]methanone;(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;platinum.

Molecular Properties

• Compound Name: [3,5-bis(trifluoromethyl)phenyl]-[4-(6-phenyl-3-pyridinyl)phenyl]methanone;(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;platinum
• PubChem CID: 59538619
• Molecular Formula: C37H34F6NO3Pt-
• Molecular Weight: 849.75 g/mol
• Exact Mass: 849.21
• IUPAC Name: [3,5-bis(trifluoromethyl)phenyl]-[4-(6-phenyl-3-pyridinyl)phenyl]methanone;(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;platinum
• SMILES: CC(C)(C)C(=O)/C=C(\O)C(C)(C)C.O=C(c1ccc(-c2ccc(-c3[c-]cccc3)nc2)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.[Pt]
• InChI: InChI=1S/C26H14F6NO.C11H20O2.Pt/c27-25(28,29)21-12-20(13-22(14-21)26(30,31)32)24(34)18-8-6-16(7-9-18)19-10-11-23(33-15-19)17-4-2-1-3-5-17;1-10(2,3)8(12)7-9(13)11(4,5)6;/h1-4,6-15H;7,12H,1-6H3;/q-1;;/b;8-7-
• InChIKey: CRYYSJYUGQVRFF-HXIBTQJOSA-N
• XLogP: 10.57
• TPSA: 67.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	849.75
LogP ≤ 5	10.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [3,5-bis(trifluoromethyl)phenyl]-[4-(6-phenyl-3-pyridinyl)phenyl]methanone;(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;platinum?

The IUPAC name of [3,5-bis(trifluoromethyl)phenyl]-[4-(6-phenyl-3-pyridinyl)phenyl]methanone;(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;platinum (CID 59538619) is [3,5-bis(trifluoromethyl)phenyl]-[4-(6-phenyl-3-pyridinyl)phenyl]methanone;(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;platinum.

What is the SMILES notation for [3,5-bis(trifluoromethyl)phenyl]-[4-(6-phenyl-3-pyridinyl)phenyl]methanone;(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;platinum?

The canonical SMILES for [3,5-bis(trifluoromethyl)phenyl]-[4-(6-phenyl-3-pyridinyl)phenyl]methanone;(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;platinum is CC(C)(C)C(=O)/C=C(\O)C(C)(C)C.O=C(c1ccc(-c2ccc(-c3[c-]cccc3)nc2)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.[Pt].

What is the InChIKey of [3,5-bis(trifluoromethyl)phenyl]-[4-(6-phenyl-3-pyridinyl)phenyl]methanone;(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;platinum?

The InChIKey is CRYYSJYUGQVRFF-HXIBTQJOSA-N. The full InChI is InChI=1S/C26H14F6NO.C11H20O2.Pt/c27-25(28,29)21-12-20(13-22(14-21)26(30,31)32)24(34)18-8-6-16(7-9-18)19-10-11-23(33-15-19)17-4-2-1-3-5-17;1-10(2,3)8(12)7-9(13)11(4,5)6;/h1-4,6-15H;7,12H,1-6H3;/q-1;;/b;8-7-;.

What are the key properties of [3,5-bis(trifluoromethyl)phenyl]-[4-(6-phenyl-3-pyridinyl)phenyl]methanone;(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;platinum?

[3,5-bis(trifluoromethyl)phenyl]-[4-(6-phenyl-3-pyridinyl)phenyl]methanone;(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;platinum has a molecular weight of 849.75 g/mol, XLogP of 10.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [3,5-bis(trifluoromethyl)phenyl]-[4-(6-phenyl-3-pyridinyl)phenyl]methanone;(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;platinum is sourced from PubChem (CID 59538619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).