(2E,4E,6Z,8E)-3-methyl-7-phenyl-9-[4-(trifluoromethyl)phenyl]nona-2,4,6,8-tetraenal

C23H19F3O — CID 121364385

IUPAC(2E,4E,6Z,8E)-3-methyl-7-phenyl-9-[4-(trifluoromethyl)phenyl]nona-2,4,6,8-tetraenal
SMILESCC(/C=C/C=C(/C=C/c1ccc(C(F)(F)F)cc1)c1ccccc1)=C\C=O
InChIInChI=1S/C23H19F3O/c1-18(16-17-27)6-5-9-21(20-7-3-2-4-8-20)13-10-19-11-14-22(15-12-19)23(24,25)26/h2-17H,1H3/b6-5+,13-10+,18-16+,21-9-
InChIKeyRTCBZELCIGMCJJ-FYHRZTQGSA-N
MW368.40 g/mol
LogP6.50
Rot. Bonds6

About (2E,4E,6Z,8E)-3-methyl-7-phenyl-9-[4-(trifluoromethyl)phenyl]nona-2,4,6,8-tetraenal

(2E,4E,6Z,8E)-3-methyl-7-phenyl-9-[4-(trifluoromethyl)phenyl]nona-2,4,6,8-tetraenal (PubChem CID 121364385) has the molecular formula C23H19F3O and a molecular weight of 368.40 g/mol. Its IUPAC name is (2E,4E,6Z,8E)-3-methyl-7-phenyl-9-[4-(trifluoromethyl)phenyl]nona-2,4,6,8-tetraenal.

Molecular Properties

Compound Name(2E,4E,6Z,8E)-3-methyl-7-phenyl-9-[4-(trifluoromethyl)phenyl]nona-2,4,6,8-tetraenal
PubChem CID121364385
Molecular FormulaC23H19F3O
Molecular Weight368.40 g/mol
Exact Mass368.14
IUPAC Name(2E,4E,6Z,8E)-3-methyl-7-phenyl-9-[4-(trifluoromethyl)phenyl]nona-2,4,6,8-tetraenal
SMILESCC(/C=C/C=C(/C=C/c1ccc(C(F)(F)F)cc1)c1ccccc1)=C\C=O
InChIInChI=1S/C23H19F3O/c1-18(16-17-27)6-5-9-21(20-7-3-2-4-8-20)13-10-19-11-14-22(15-12-19)23(24,25)26/h2-17H,1H3/b6-5+,13-10+,18-16+,21-9-
InChIKeyRTCBZELCIGMCJJ-FYHRZTQGSA-N
XLogP6.50
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.40
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2E,4E,6Z,8E)-3-methyl-7-phenyl-9-[4-(trifluoromethyl)phenyl]nona-2,4,6,8-tetraenal with MolForge

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Related Compounds

(2Z,4E,6Z,8E)-9-(4-chlorophenyl)-3-methyl-7-phenylnona-2,4,6,8-tetraenal
CID 145089405
[4-[(1E,3Z,5E,7E)-3-(4-methoxyphenyl)-7-methyl-9-oxonona-1,3,5,7-tetraenyl]phenyl] acetate
CID 121364402
3-methyl-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienoic acid
CID 173277317
1,1-diphenyl-N-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]methanimine
CID 102082770
(2E)-9-[4-(dimethylamino)phenyl]-3,7-dimethylnona-2,4,6,8-tetraenal
CID 173304585
3-[4-(trifluoromethyl)phenyl]but-2-enal
CID 54172947
(2E,4E,6E)-7-azulen-2-yl-3-methylocta-2,4,6-trienal
CID 14775675
1-[(1E)-4-methyl-3-methylidenepenta-1,4-dienyl]-4-(trifluoromethyl)benzene
CID 145089374
1-[(E)-2-phenylethenyl]-3-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzene
CID 56950894
(E)-N-(3-acetylphenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 2679050
2,5-diphenylpenta-2,4-dienal
CID 173316530
(2Z,4E)-5-(4-isocyanophenyl)-3-methylpenta-2,4-dienal
CID 123305051

Frequently Asked Questions

What is the IUPAC name of (2E,4E,6Z,8E)-3-methyl-7-phenyl-9-[4-(trifluoromethyl)phenyl]nona-2,4,6,8-tetraenal?
The IUPAC name of (2E,4E,6Z,8E)-3-methyl-7-phenyl-9-[4-(trifluoromethyl)phenyl]nona-2,4,6,8-tetraenal (CID 121364385) is (2E,4E,6Z,8E)-3-methyl-7-phenyl-9-[4-(trifluoromethyl)phenyl]nona-2,4,6,8-tetraenal.
What is the SMILES notation for (2E,4E,6Z,8E)-3-methyl-7-phenyl-9-[4-(trifluoromethyl)phenyl]nona-2,4,6,8-tetraenal?
The canonical SMILES for (2E,4E,6Z,8E)-3-methyl-7-phenyl-9-[4-(trifluoromethyl)phenyl]nona-2,4,6,8-tetraenal is CC(/C=C/C=C(/C=C/c1ccc(C(F)(F)F)cc1)c1ccccc1)=C\C=O.
What is the InChIKey of (2E,4E,6Z,8E)-3-methyl-7-phenyl-9-[4-(trifluoromethyl)phenyl]nona-2,4,6,8-tetraenal?
The InChIKey is RTCBZELCIGMCJJ-FYHRZTQGSA-N. The full InChI is InChI=1S/C23H19F3O/c1-18(16-17-27)6-5-9-21(20-7-3-2-4-8-20)13-10-19-11-14-22(15-12-19)23(24,25)26/h2-17H,1H3/b6-5+,13-10+,18-16+,21-9-.
What are the key properties of (2E,4E,6Z,8E)-3-methyl-7-phenyl-9-[4-(trifluoromethyl)phenyl]nona-2,4,6,8-tetraenal?
(2E,4E,6Z,8E)-3-methyl-7-phenyl-9-[4-(trifluoromethyl)phenyl]nona-2,4,6,8-tetraenal has a molecular weight of 368.40 g/mol, XLogP of 6.50, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6Z,8E)-3-methyl-7-phenyl-9-[4-(trifluoromethyl)phenyl]nona-2,4,6,8-tetraenal is sourced from PubChem (CID 121364385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).