4-[(E)-5,5-dimethylhex-2-en-2-yl]-1-[3-[3-[(E)-pent-2-en-2-yl]phenyl]phenyl]-2-(trifluoromethyl)benzene

C32H35F3 — CID 130368625

IUPAC4-[(E)-5,5-dimethylhex-2-en-2-yl]-1-[3-[3-[(E)-pent-2-en-2-yl]phenyl]phenyl]-2-(trifluoromethyl)benzene
SMILESCC/C=C(\C)c1cccc(-c2cccc(-c3ccc(/C(C)=C/CC(C)(C)C)cc3C(F)(F)F)c2)c1
InChIInChI=1S/C32H35F3/c1-7-10-22(2)24-11-8-12-26(19-24)27-13-9-14-28(20-27)29-16-15-25(21-30(29)32(33,34)35)23(3)17-18-31(4,5)6/h8-17,19-21H,7,18H2,1-6H3/b22-10+,23-17+
InChIKeyVBQVTSGKNDERDT-FUGLAMTBSA-N
MW476.63 g/mol
LogP10.69
Rot. Bonds6

About 4-[(E)-5,5-dimethylhex-2-en-2-yl]-1-[3-[3-[(E)-pent-2-en-2-yl]phenyl]phenyl]-2-(trifluoromethyl)benzene

4-[(E)-5,5-dimethylhex-2-en-2-yl]-1-[3-[3-[(E)-pent-2-en-2-yl]phenyl]phenyl]-2-(trifluoromethyl)benzene (PubChem CID 130368625) has the molecular formula C32H35F3 and a molecular weight of 476.63 g/mol. Its IUPAC name is 4-[(E)-5,5-dimethylhex-2-en-2-yl]-1-[3-[3-[(E)-pent-2-en-2-yl]phenyl]phenyl]-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name4-[(E)-5,5-dimethylhex-2-en-2-yl]-1-[3-[3-[(E)-pent-2-en-2-yl]phenyl]phenyl]-2-(trifluoromethyl)benzene
PubChem CID130368625
Molecular FormulaC32H35F3
Molecular Weight476.63 g/mol
Exact Mass476.27
IUPAC Name4-[(E)-5,5-dimethylhex-2-en-2-yl]-1-[3-[3-[(E)-pent-2-en-2-yl]phenyl]phenyl]-2-(trifluoromethyl)benzene
SMILESCC/C=C(\C)c1cccc(-c2cccc(-c3ccc(/C(C)=C/CC(C)(C)C)cc3C(F)(F)F)c2)c1
InChIInChI=1S/C32H35F3/c1-7-10-22(2)24-11-8-12-26(19-24)27-13-9-14-28(20-27)29-16-15-25(21-30(29)32(33,34)35)23(3)17-18-31(4,5)6/h8-17,19-21H,7,18H2,1-6H3/b22-10+,23-17+
InChIKeyVBQVTSGKNDERDT-FUGLAMTBSA-N
XLogP10.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.63
LogP ≤ 510.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-5,5-dimethylhex-2-en-2-yl]-1-[3-[3-[(E)-pent-2-en-2-yl]phenyl]phenyl]-2-(trifluoromethyl)benzene?
The IUPAC name of 4-[(E)-5,5-dimethylhex-2-en-2-yl]-1-[3-[3-[(E)-pent-2-en-2-yl]phenyl]phenyl]-2-(trifluoromethyl)benzene (CID 130368625) is 4-[(E)-5,5-dimethylhex-2-en-2-yl]-1-[3-[3-[(E)-pent-2-en-2-yl]phenyl]phenyl]-2-(trifluoromethyl)benzene.
What is the SMILES notation for 4-[(E)-5,5-dimethylhex-2-en-2-yl]-1-[3-[3-[(E)-pent-2-en-2-yl]phenyl]phenyl]-2-(trifluoromethyl)benzene?
The canonical SMILES for 4-[(E)-5,5-dimethylhex-2-en-2-yl]-1-[3-[3-[(E)-pent-2-en-2-yl]phenyl]phenyl]-2-(trifluoromethyl)benzene is CC/C=C(\C)c1cccc(-c2cccc(-c3ccc(/C(C)=C/CC(C)(C)C)cc3C(F)(F)F)c2)c1.
What is the InChIKey of 4-[(E)-5,5-dimethylhex-2-en-2-yl]-1-[3-[3-[(E)-pent-2-en-2-yl]phenyl]phenyl]-2-(trifluoromethyl)benzene?
The InChIKey is VBQVTSGKNDERDT-FUGLAMTBSA-N. The full InChI is InChI=1S/C32H35F3/c1-7-10-22(2)24-11-8-12-26(19-24)27-13-9-14-28(20-27)29-16-15-25(21-30(29)32(33,34)35)23(3)17-18-31(4,5)6/h8-17,19-21H,7,18H2,1-6H3/b22-10+,23-17+.
What are the key properties of 4-[(E)-5,5-dimethylhex-2-en-2-yl]-1-[3-[3-[(E)-pent-2-en-2-yl]phenyl]phenyl]-2-(trifluoromethyl)benzene?
4-[(E)-5,5-dimethylhex-2-en-2-yl]-1-[3-[3-[(E)-pent-2-en-2-yl]phenyl]phenyl]-2-(trifluoromethyl)benzene has a molecular weight of 476.63 g/mol, XLogP of 10.69, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-5,5-dimethylhex-2-en-2-yl]-1-[3-[3-[(E)-pent-2-en-2-yl]phenyl]phenyl]-2-(trifluoromethyl)benzene is sourced from PubChem (CID 130368625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).