(Z)-1-[2-[3,5-bis[2-(4,6-diphenyl-3-pyridinyl)phenyl]phenyl]phenyl]-6,6,6-trifluoro-5-hydroxyhex-4-en-3-one

C64H45F3N2O2 — CID 137457137

IUPAC(Z)-1-[2-[3,5-bis[2-(4,6-diphenyl-3-pyridinyl)phenyl]phenyl]phenyl]-6,6,6-trifluoro-5-hydroxyhex-4-en-3-one
SMILESO=C(/C=C(\O)C(F)(F)F)CCc1ccccc1-c1cc(-c2ccccc2-c2cnc(-c3ccccc3)cc2-c2ccccc2)cc(-c2ccccc2-c2cnc(-c3ccccc3)cc2-c2ccccc2)c1
InChIInChI=1S/C64H45F3N2O2/c65-64(66,67)63(71)38-51(70)34-33-45-23-13-14-28-52(45)48-35-49(53-29-15-17-31-55(53)59-41-68-61(46-24-9-3-10-25-46)39-57(59)43-19-5-1-6-20-43)37-50(36-48)54-30-16-18-32-56(54)60-42-69-62(47-26-11-4-12-27-47)40-58(60)44-21-7-2-8-22-44/h1-32,35-42,71H,33-34H2/b63-38-
InChIKeyYQNULRQKIZJVML-ZJUGCIOXSA-N
MW931.07 g/mol
LogP16.99
Rot. Bonds13

About (Z)-1-[2-[3,5-bis[2-(4,6-diphenyl-3-pyridinyl)phenyl]phenyl]phenyl]-6,6,6-trifluoro-5-hydroxyhex-4-en-3-one

(Z)-1-[2-[3,5-bis[2-(4,6-diphenyl-3-pyridinyl)phenyl]phenyl]phenyl]-6,6,6-trifluoro-5-hydroxyhex-4-en-3-one (PubChem CID 137457137) has the molecular formula C64H45F3N2O2 and a molecular weight of 931.07 g/mol. Its IUPAC name is (Z)-1-[2-[3,5-bis[2-(4,6-diphenyl-3-pyridinyl)phenyl]phenyl]phenyl]-6,6,6-trifluoro-5-hydroxyhex-4-en-3-one.

Molecular Properties

Compound Name(Z)-1-[2-[3,5-bis[2-(4,6-diphenyl-3-pyridinyl)phenyl]phenyl]phenyl]-6,6,6-trifluoro-5-hydroxyhex-4-en-3-one
PubChem CID137457137
Molecular FormulaC64H45F3N2O2
Molecular Weight931.07 g/mol
Exact Mass930.34
IUPAC Name(Z)-1-[2-[3,5-bis[2-(4,6-diphenyl-3-pyridinyl)phenyl]phenyl]phenyl]-6,6,6-trifluoro-5-hydroxyhex-4-en-3-one
SMILESO=C(/C=C(\O)C(F)(F)F)CCc1ccccc1-c1cc(-c2ccccc2-c2cnc(-c3ccccc3)cc2-c2ccccc2)cc(-c2ccccc2-c2cnc(-c3ccccc3)cc2-c2ccccc2)c1
InChIInChI=1S/C64H45F3N2O2/c65-64(66,67)63(71)38-51(70)34-33-45-23-13-14-28-52(45)48-35-49(53-29-15-17-31-55(53)59-41-68-61(46-24-9-3-10-25-46)39-57(59)43-19-5-1-6-20-43)37-50(36-48)54-30-16-18-32-56(54)60-42-69-62(47-26-11-4-12-27-47)40-58(60)44-21-7-2-8-22-44/h1-32,35-42,71H,33-34H2/b63-38-
InChIKeyYQNULRQKIZJVML-ZJUGCIOXSA-N
XLogP16.99
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500931.07
LogP ≤ 516.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (Z)-1-[2-[3,5-bis[2-(4,6-diphenyl-3-pyridinyl)phenyl]phenyl]phenyl]-6,6,6-trifluoro-5-hydroxyhex-4-en-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[2-[3,5-bis[2-(4,6-diphenyl-3-pyridinyl)phenyl]phenyl]phenyl]-6,6,6-trifluoro-5-hydroxyhex-4-en-3-one?
The IUPAC name of (Z)-1-[2-[3,5-bis[2-(4,6-diphenyl-3-pyridinyl)phenyl]phenyl]phenyl]-6,6,6-trifluoro-5-hydroxyhex-4-en-3-one (CID 137457137) is (Z)-1-[2-[3,5-bis[2-(4,6-diphenyl-3-pyridinyl)phenyl]phenyl]phenyl]-6,6,6-trifluoro-5-hydroxyhex-4-en-3-one.
What is the SMILES notation for (Z)-1-[2-[3,5-bis[2-(4,6-diphenyl-3-pyridinyl)phenyl]phenyl]phenyl]-6,6,6-trifluoro-5-hydroxyhex-4-en-3-one?
The canonical SMILES for (Z)-1-[2-[3,5-bis[2-(4,6-diphenyl-3-pyridinyl)phenyl]phenyl]phenyl]-6,6,6-trifluoro-5-hydroxyhex-4-en-3-one is O=C(/C=C(\O)C(F)(F)F)CCc1ccccc1-c1cc(-c2ccccc2-c2cnc(-c3ccccc3)cc2-c2ccccc2)cc(-c2ccccc2-c2cnc(-c3ccccc3)cc2-c2ccccc2)c1.
What is the InChIKey of (Z)-1-[2-[3,5-bis[2-(4,6-diphenyl-3-pyridinyl)phenyl]phenyl]phenyl]-6,6,6-trifluoro-5-hydroxyhex-4-en-3-one?
The InChIKey is YQNULRQKIZJVML-ZJUGCIOXSA-N. The full InChI is InChI=1S/C64H45F3N2O2/c65-64(66,67)63(71)38-51(70)34-33-45-23-13-14-28-52(45)48-35-49(53-29-15-17-31-55(53)59-41-68-61(46-24-9-3-10-25-46)39-57(59)43-19-5-1-6-20-43)37-50(36-48)54-30-16-18-32-56(54)60-42-69-62(47-26-11-4-12-27-47)40-58(60)44-21-7-2-8-22-44/h1-32,35-42,71H,33-34H2/b63-38-.
What are the key properties of (Z)-1-[2-[3,5-bis[2-(4,6-diphenyl-3-pyridinyl)phenyl]phenyl]phenyl]-6,6,6-trifluoro-5-hydroxyhex-4-en-3-one?
(Z)-1-[2-[3,5-bis[2-(4,6-diphenyl-3-pyridinyl)phenyl]phenyl]phenyl]-6,6,6-trifluoro-5-hydroxyhex-4-en-3-one has a molecular weight of 931.07 g/mol, XLogP of 16.99, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[2-[3,5-bis[2-(4,6-diphenyl-3-pyridinyl)phenyl]phenyl]phenyl]-6,6,6-trifluoro-5-hydroxyhex-4-en-3-one is sourced from PubChem (CID 137457137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).