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

C27H21F3 — CID 170397813

IUPAC(1E,3Z,5Z)-1-[4-[3-[3-(trifluoromethyl)phenyl]phenyl]phenyl]cycloocta-1,3,5-triene
SMILESFC(F)(F)c1cccc(-c2cccc(-c3ccc(/C4=C/C=C\C=C/CC4)cc3)c2)c1
InChIInChI=1S/C27H21F3/c28-27(29,30)26-13-7-12-25(19-26)24-11-6-10-23(18-24)22-16-14-21(15-17-22)20-8-4-2-1-3-5-9-20/h1-4,6-8,10-19H,5,9H2/b3-1-,4-2-,20-8+
InChIKeyNMNHTTSSYAMYED-WLKXKGKGSA-N
MW402.46 g/mol
LogP8.33
Rot. Bonds3

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

(1E,3Z,5Z)-1-[4-[3-[3-(trifluoromethyl)phenyl]phenyl]phenyl]cycloocta-1,3,5-triene (PubChem CID 170397813) has the molecular formula C27H21F3 and a molecular weight of 402.46 g/mol. Its IUPAC name is (1E,3Z,5Z)-1-[4-[3-[3-(trifluoromethyl)phenyl]phenyl]phenyl]cycloocta-1,3,5-triene.

Molecular Properties

Compound Name(1E,3Z,5Z)-1-[4-[3-[3-(trifluoromethyl)phenyl]phenyl]phenyl]cycloocta-1,3,5-triene
PubChem CID170397813
Molecular FormulaC27H21F3
Molecular Weight402.46 g/mol
Exact Mass402.16
IUPAC Name(1E,3Z,5Z)-1-[4-[3-[3-(trifluoromethyl)phenyl]phenyl]phenyl]cycloocta-1,3,5-triene
SMILESFC(F)(F)c1cccc(-c2cccc(-c3ccc(/C4=C/C=C\C=C/CC4)cc3)c2)c1
InChIInChI=1S/C27H21F3/c28-27(29,30)26-13-7-12-25(19-26)24-11-6-10-23(18-24)22-16-14-21(15-17-22)20-8-4-2-1-3-5-9-20/h1-4,6-8,10-19H,5,9H2/b3-1-,4-2-,20-8+
InChIKeyNMNHTTSSYAMYED-WLKXKGKGSA-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

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

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Related Compounds

(1E,3Z,5Z)-1-[4-[3-(trifluoromethyl)phenyl]phenyl]cycloocta-1,3,5-triene
CID 170402726
(1E,3Z,5Z)-1-[4-[3-[4-(trifluoromethyl)phenyl]phenyl]phenyl]cycloocta-1,3,5-triene
CID 170397812
(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
4-[3-(trifluoromethyl)phenyl]aniline
CID 2760739
4-[4-[3-(trifluoromethyl)phenyl]phenyl]phenol
CID 142750929
1-[(1R,2R)-2-[4-[3-(trifluoromethyl)phenyl]phenyl]cyclopropyl]cyclobutane-1,3-diamine
CID 129216221
1-[2-[4-[3-(trifluoromethyl)phenyl]phenyl]cyclopropyl]cyclobutane-1,3-diamine
CID 129216220

Frequently Asked Questions

What is the IUPAC name of (1E,3Z,5Z)-1-[4-[3-[3-(trifluoromethyl)phenyl]phenyl]phenyl]cycloocta-1,3,5-triene?
The IUPAC name of (1E,3Z,5Z)-1-[4-[3-[3-(trifluoromethyl)phenyl]phenyl]phenyl]cycloocta-1,3,5-triene (CID 170397813) is (1E,3Z,5Z)-1-[4-[3-[3-(trifluoromethyl)phenyl]phenyl]phenyl]cycloocta-1,3,5-triene.
What is the SMILES notation for (1E,3Z,5Z)-1-[4-[3-[3-(trifluoromethyl)phenyl]phenyl]phenyl]cycloocta-1,3,5-triene?
The canonical SMILES for (1E,3Z,5Z)-1-[4-[3-[3-(trifluoromethyl)phenyl]phenyl]phenyl]cycloocta-1,3,5-triene is FC(F)(F)c1cccc(-c2cccc(-c3ccc(/C4=C/C=C\C=C/CC4)cc3)c2)c1.
What is the InChIKey of (1E,3Z,5Z)-1-[4-[3-[3-(trifluoromethyl)phenyl]phenyl]phenyl]cycloocta-1,3,5-triene?
The InChIKey is NMNHTTSSYAMYED-WLKXKGKGSA-N. The full InChI is InChI=1S/C27H21F3/c28-27(29,30)26-13-7-12-25(19-26)24-11-6-10-23(18-24)22-16-14-21(15-17-22)20-8-4-2-1-3-5-9-20/h1-4,6-8,10-19H,5,9H2/b3-1-,4-2-,20-8+.
What are the key properties of (1E,3Z,5Z)-1-[4-[3-[3-(trifluoromethyl)phenyl]phenyl]phenyl]cycloocta-1,3,5-triene?
(1E,3Z,5Z)-1-[4-[3-[3-(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-[3-(trifluoromethyl)phenyl]phenyl]phenyl]cycloocta-1,3,5-triene is sourced from PubChem (CID 170397813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).