(1E,3Z,5Z)-1-[4-[3-[4-[4-(2,2,2-trifluoroethyl)phenyl]phenyl]phenyl]phenyl]cycloocta-1,3,5-triene

C34H27F3 — CID 170402900

IUPAC(1E,3Z,5Z)-1-[4-[3-[4-[4-(2,2,2-trifluoroethyl)phenyl]phenyl]phenyl]phenyl]cycloocta-1,3,5-triene
SMILESFC(F)(F)Cc1ccc(-c2ccc(-c3cccc(-c4ccc(/C5=C/C=C\C=C/CC5)cc4)c3)cc2)cc1
InChIInChI=1S/C34H27F3/c35-34(36,37)24-25-11-13-27(14-12-25)29-17-21-31(22-18-29)33-10-6-9-32(23-33)30-19-15-28(16-20-30)26-7-4-2-1-3-5-8-26/h1-4,6-7,9-23H,5,8,24H2/b3-1-,4-2-,26-7+
InChIKeyVXIYZVHUYUXTEW-LWJFDONPSA-N
MW492.58 g/mol
LogP10.08
Rot. Bonds5

About (1E,3Z,5Z)-1-[4-[3-[4-[4-(2,2,2-trifluoroethyl)phenyl]phenyl]phenyl]phenyl]cycloocta-1,3,5-triene

(1E,3Z,5Z)-1-[4-[3-[4-[4-(2,2,2-trifluoroethyl)phenyl]phenyl]phenyl]phenyl]cycloocta-1,3,5-triene (PubChem CID 170402900) has the molecular formula C34H27F3 and a molecular weight of 492.58 g/mol. Its IUPAC name is (1E,3Z,5Z)-1-[4-[3-[4-[4-(2,2,2-trifluoroethyl)phenyl]phenyl]phenyl]phenyl]cycloocta-1,3,5-triene.

Molecular Properties

Compound Name(1E,3Z,5Z)-1-[4-[3-[4-[4-(2,2,2-trifluoroethyl)phenyl]phenyl]phenyl]phenyl]cycloocta-1,3,5-triene
PubChem CID170402900
Molecular FormulaC34H27F3
Molecular Weight492.58 g/mol
Exact Mass492.21
IUPAC Name(1E,3Z,5Z)-1-[4-[3-[4-[4-(2,2,2-trifluoroethyl)phenyl]phenyl]phenyl]phenyl]cycloocta-1,3,5-triene
SMILESFC(F)(F)Cc1ccc(-c2ccc(-c3cccc(-c4ccc(/C5=C/C=C\C=C/CC5)cc4)c3)cc2)cc1
InChIInChI=1S/C34H27F3/c35-34(36,37)24-25-11-13-27(14-12-25)29-17-21-31(22-18-29)33-10-6-9-32(23-33)30-19-15-28(16-20-30)26-7-4-2-1-3-5-8-26/h1-4,6-7,9-23H,5,8,24H2/b3-1-,4-2-,26-7+
InChIKeyVXIYZVHUYUXTEW-LWJFDONPSA-N
XLogP10.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.58
LogP ≤ 510.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (1E,3Z,5Z)-1-[4-[3-[4-[4-(2,2,2-trifluoroethyl)phenyl]phenyl]phenyl]phenyl]cycloocta-1,3,5-triene?
The IUPAC name of (1E,3Z,5Z)-1-[4-[3-[4-[4-(2,2,2-trifluoroethyl)phenyl]phenyl]phenyl]phenyl]cycloocta-1,3,5-triene (CID 170402900) is (1E,3Z,5Z)-1-[4-[3-[4-[4-(2,2,2-trifluoroethyl)phenyl]phenyl]phenyl]phenyl]cycloocta-1,3,5-triene.
What is the SMILES notation for (1E,3Z,5Z)-1-[4-[3-[4-[4-(2,2,2-trifluoroethyl)phenyl]phenyl]phenyl]phenyl]cycloocta-1,3,5-triene?
The canonical SMILES for (1E,3Z,5Z)-1-[4-[3-[4-[4-(2,2,2-trifluoroethyl)phenyl]phenyl]phenyl]phenyl]cycloocta-1,3,5-triene is FC(F)(F)Cc1ccc(-c2ccc(-c3cccc(-c4ccc(/C5=C/C=C\C=C/CC5)cc4)c3)cc2)cc1.
What is the InChIKey of (1E,3Z,5Z)-1-[4-[3-[4-[4-(2,2,2-trifluoroethyl)phenyl]phenyl]phenyl]phenyl]cycloocta-1,3,5-triene?
The InChIKey is VXIYZVHUYUXTEW-LWJFDONPSA-N. The full InChI is InChI=1S/C34H27F3/c35-34(36,37)24-25-11-13-27(14-12-25)29-17-21-31(22-18-29)33-10-6-9-32(23-33)30-19-15-28(16-20-30)26-7-4-2-1-3-5-8-26/h1-4,6-7,9-23H,5,8,24H2/b3-1-,4-2-,26-7+.
What are the key properties of (1E,3Z,5Z)-1-[4-[3-[4-[4-(2,2,2-trifluoroethyl)phenyl]phenyl]phenyl]phenyl]cycloocta-1,3,5-triene?
(1E,3Z,5Z)-1-[4-[3-[4-[4-(2,2,2-trifluoroethyl)phenyl]phenyl]phenyl]phenyl]cycloocta-1,3,5-triene has a molecular weight of 492.58 g/mol, XLogP of 10.08, 5 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-[4-(2,2,2-trifluoroethyl)phenyl]phenyl]phenyl]phenyl]cycloocta-1,3,5-triene is sourced from PubChem (CID 170402900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).