(1E,3E,5Z)-7-methyl-3-[4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]phenyl]cycloocta-1,3,5-triene

C34H27F3 — CID 170397759

IUPAC(1E,3E,5Z)-7-methyl-3-[4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]phenyl]cycloocta-1,3,5-triene
SMILESCC1/C=C\C=C(c2ccc(-c3ccc(-c4ccc(-c5ccc(C(F)(F)F)cc5)cc4)cc3)cc2)/C=C\C1
InChIInChI=1S/C34H27F3/c1-24-4-2-6-25(7-3-5-24)26-8-10-27(11-9-26)28-12-14-29(15-13-28)30-16-18-31(19-17-30)32-20-22-33(23-21-32)34(35,36)37/h2-4,6-24H,5H2,1H3/b4-2-,7-3-,25-6+
InChIKeyPFOGBXUWNQPDOL-LTCKCKJISA-N
MW492.58 g/mol
LogP10.24
Rot. Bonds4

About (1E,3E,5Z)-7-methyl-3-[4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]phenyl]cycloocta-1,3,5-triene

(1E,3E,5Z)-7-methyl-3-[4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]phenyl]cycloocta-1,3,5-triene (PubChem CID 170397759) has the molecular formula C34H27F3 and a molecular weight of 492.58 g/mol. Its IUPAC name is (1E,3E,5Z)-7-methyl-3-[4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]phenyl]cycloocta-1,3,5-triene.

Molecular Properties

Compound Name(1E,3E,5Z)-7-methyl-3-[4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]phenyl]cycloocta-1,3,5-triene
PubChem CID170397759
Molecular FormulaC34H27F3
Molecular Weight492.58 g/mol
Exact Mass492.21
IUPAC Name(1E,3E,5Z)-7-methyl-3-[4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]phenyl]cycloocta-1,3,5-triene
SMILESCC1/C=C\C=C(c2ccc(-c3ccc(-c4ccc(-c5ccc(C(F)(F)F)cc5)cc4)cc3)cc2)/C=C\C1
InChIInChI=1S/C34H27F3/c1-24-4-2-6-25(7-3-5-24)26-8-10-27(11-9-26)28-12-14-29(15-13-28)30-16-18-31(19-17-30)32-20-22-33(23-21-32)34(35,36)37/h2-4,6-24H,5H2,1H3/b4-2-,7-3-,25-6+
InChIKeyPFOGBXUWNQPDOL-LTCKCKJISA-N
XLogP10.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.58
LogP ≤ 510.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (1E,3E,5Z)-7-methyl-3-[4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]phenyl]cycloocta-1,3,5-triene with MolForge

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

Launch Full Analysis

Related Compounds

trimethyl-[4-[4-[(1E,3Z,7E)-5-methylcycloocta-1,3,7-trien-1-yl]phenyl]phenyl]silane
CID 174151690
(1R)-3-[4-(trifluoromethyl)phenyl]cyclohexa-2,4-dien-1-ol
CID 163923607
1-methyl-4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]benzene
CID 59630308
(1E,3Z,5Z)-1-[4-[4-(trifluoromethyl)phenyl]phenyl]cycloocta-1,3,5-triene
CID 170397618
1-[(3R)-3,4-dimethylcyclopentyl]-4-(trifluoromethyl)benzene
CID 118423626
[2,3,5,6-tetramethyl-4-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]phenyl]-bis[2,3,5,6-tetramethyl-4-[4-(trifluoromethyl)phenyl]phenyl]borane
CID 162554062
dimethyl-[4-[4-(trifluoromethyl)phenyl]phenyl]sulfanium
CID 175896101
1-ethyl-4-[4-(trifluoromethyl)phenyl]benzene
CID 19095059
1-[(1R,2R)-2-methylcyclopropyl]-4-(trifluoromethyl)benzene
CID 11063442
ethyl-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]cyclohexyl]silane
CID 123492543
1-[2-(4-methylcyclohexyl)ethyl]-4-[4-(trifluoromethyl)phenyl]benzene
CID 22886828
trimethyl-[(1E,3Z,5Z,7Z)-2-[4-(trifluoromethyl)phenyl]-3,4-bis(trimethylsilyl)cycloocta-1,3,5,7-tetraen-1-yl]silane
CID 177431862

Frequently Asked Questions

What is the IUPAC name of (1E,3E,5Z)-7-methyl-3-[4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]phenyl]cycloocta-1,3,5-triene?
The IUPAC name of (1E,3E,5Z)-7-methyl-3-[4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]phenyl]cycloocta-1,3,5-triene (CID 170397759) is (1E,3E,5Z)-7-methyl-3-[4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]phenyl]cycloocta-1,3,5-triene.
What is the SMILES notation for (1E,3E,5Z)-7-methyl-3-[4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]phenyl]cycloocta-1,3,5-triene?
The canonical SMILES for (1E,3E,5Z)-7-methyl-3-[4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]phenyl]cycloocta-1,3,5-triene is CC1/C=C\C=C(c2ccc(-c3ccc(-c4ccc(-c5ccc(C(F)(F)F)cc5)cc4)cc3)cc2)/C=C\C1.
What is the InChIKey of (1E,3E,5Z)-7-methyl-3-[4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]phenyl]cycloocta-1,3,5-triene?
The InChIKey is PFOGBXUWNQPDOL-LTCKCKJISA-N. The full InChI is InChI=1S/C34H27F3/c1-24-4-2-6-25(7-3-5-24)26-8-10-27(11-9-26)28-12-14-29(15-13-28)30-16-18-31(19-17-30)32-20-22-33(23-21-32)34(35,36)37/h2-4,6-24H,5H2,1H3/b4-2-,7-3-,25-6+.
What are the key properties of (1E,3E,5Z)-7-methyl-3-[4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]phenyl]cycloocta-1,3,5-triene?
(1E,3E,5Z)-7-methyl-3-[4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]phenyl]cycloocta-1,3,5-triene has a molecular weight of 492.58 g/mol, XLogP of 10.24, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E,5Z)-7-methyl-3-[4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]phenyl]cycloocta-1,3,5-triene is sourced from PubChem (CID 170397759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).