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

C27H21F3 — CID 170397812

IUPAC(1E,3Z,5Z)-1-[4-[3-[4-(trifluoromethyl)phenyl]phenyl]phenyl]cycloocta-1,3,5-triene
SMILESFC(F)(F)c1ccc(-c2cccc(-c3ccc(/C4=C/C=C\C=C/CC4)cc3)c2)cc1
InChIInChI=1S/C27H21F3/c28-27(29,30)26-17-15-23(16-18-26)25-10-6-9-24(19-25)22-13-11-21(12-14-22)20-7-4-2-1-3-5-8-20/h1-4,6-7,9-19H,5,8H2/b3-1-,4-2-,20-7+
InChIKeyBIRLSERANMYETN-QGICRZPGSA-N
MW402.46 g/mol
LogP8.33
Rot. Bonds3

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

(1E,3Z,5Z)-1-[4-[3-[4-(trifluoromethyl)phenyl]phenyl]phenyl]cycloocta-1,3,5-triene (PubChem CID 170397812) has the molecular formula C27H21F3 and a molecular weight of 402.46 g/mol. Its IUPAC name is (1E,3Z,5Z)-1-[4-[3-[4-(trifluoromethyl)phenyl]phenyl]phenyl]cycloocta-1,3,5-triene.

Molecular Properties

Compound Name(1E,3Z,5Z)-1-[4-[3-[4-(trifluoromethyl)phenyl]phenyl]phenyl]cycloocta-1,3,5-triene
PubChem CID170397812
Molecular FormulaC27H21F3
Molecular Weight402.46 g/mol
Exact Mass402.16
IUPAC Name(1E,3Z,5Z)-1-[4-[3-[4-(trifluoromethyl)phenyl]phenyl]phenyl]cycloocta-1,3,5-triene
SMILESFC(F)(F)c1ccc(-c2cccc(-c3ccc(/C4=C/C=C\C=C/CC4)cc3)c2)cc1
InChIInChI=1S/C27H21F3/c28-27(29,30)26-17-15-23(16-18-26)25-10-6-9-24(19-25)22-13-11-21(12-14-22)20-7-4-2-1-3-5-8-20/h1-4,6-7,9-19H,5,8H2/b3-1-,4-2-,20-7+
InChIKeyBIRLSERANMYETN-QGICRZPGSA-N
XLogP8.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.46
LogP ≤ 58.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(1E,3Z,5Z)-1-[4-[3-[3-(trifluoromethyl)phenyl]phenyl]phenyl]cycloocta-1,3,5-triene
CID 170397813
(1E,3Z,5Z)-1-[4-[3-(trifluoromethyl)phenyl]phenyl]cycloocta-1,3,5-triene
CID 170402726
(1E,3Z,5Z)-1-[4-[4-(trifluoromethyl)phenyl]phenyl]cycloocta-1,3,5-triene
CID 170397618
(1E,3Z,5Z)-1-[4-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]phenyl]cycloocta-1,3,5-triene
CID 170397624
(1E,3Z,5Z)-1-[4-[3-[4-[4-(2,2,2-trifluoroethyl)phenyl]phenyl]phenyl]phenyl]cycloocta-1,3,5-triene
CID 170402900
1-cyclohexa-1,3-dien-1-yl-3-phenylbenzene;ethane
CID 144938549
1-cyclohexa-1,3-dien-1-yl-4-phenylbenzene
CID 123265998
[4-[4-[4-[4-[(1E,3Z,5Z)-cycloocta-1,3,5-trien-1-yl]phenyl]phenyl]phenyl]phenyl]-trimethylsilane
CID 174151684
[4-[4-[(1E,3Z,5Z)-cycloocta-1,3,5-trien-1-yl]phenyl]phenyl]-trimethylsilane
CID 174151682
N-[4-[4-[4-[4-(4-cyclohexa-1,3-dien-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 145063466
4-(4-cyclohexa-1,3-dien-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 166859893
2-[4-[3-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]phenyl]dibenzothiophene
CID 171056615

Frequently Asked Questions

What is the IUPAC name of (1E,3Z,5Z)-1-[4-[3-[4-(trifluoromethyl)phenyl]phenyl]phenyl]cycloocta-1,3,5-triene?
The IUPAC name of (1E,3Z,5Z)-1-[4-[3-[4-(trifluoromethyl)phenyl]phenyl]phenyl]cycloocta-1,3,5-triene (CID 170397812) is (1E,3Z,5Z)-1-[4-[3-[4-(trifluoromethyl)phenyl]phenyl]phenyl]cycloocta-1,3,5-triene.
What is the SMILES notation for (1E,3Z,5Z)-1-[4-[3-[4-(trifluoromethyl)phenyl]phenyl]phenyl]cycloocta-1,3,5-triene?
The canonical SMILES for (1E,3Z,5Z)-1-[4-[3-[4-(trifluoromethyl)phenyl]phenyl]phenyl]cycloocta-1,3,5-triene is FC(F)(F)c1ccc(-c2cccc(-c3ccc(/C4=C/C=C\C=C/CC4)cc3)c2)cc1.
What is the InChIKey of (1E,3Z,5Z)-1-[4-[3-[4-(trifluoromethyl)phenyl]phenyl]phenyl]cycloocta-1,3,5-triene?
The InChIKey is BIRLSERANMYETN-QGICRZPGSA-N. The full InChI is InChI=1S/C27H21F3/c28-27(29,30)26-17-15-23(16-18-26)25-10-6-9-24(19-25)22-13-11-21(12-14-22)20-7-4-2-1-3-5-8-20/h1-4,6-7,9-19H,5,8H2/b3-1-,4-2-,20-7+.
What are the key properties of (1E,3Z,5Z)-1-[4-[3-[4-(trifluoromethyl)phenyl]phenyl]phenyl]cycloocta-1,3,5-triene?
(1E,3Z,5Z)-1-[4-[3-[4-(trifluoromethyl)phenyl]phenyl]phenyl]cycloocta-1,3,5-triene has a molecular weight of 402.46 g/mol, XLogP of 8.33, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z,5Z)-1-[4-[3-[4-(trifluoromethyl)phenyl]phenyl]phenyl]cycloocta-1,3,5-triene is sourced from PubChem (CID 170397812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).