1-[(2Z,4E,7E,9E)-5-ethenyl-6-phenyl-7-[(Z)-3-phenylprop-1-enyl]undeca-2,4,7,9-tetraen-6-yl]-4-methoxybenzene

C35H36O — CID 126516005

IUPAC1-[(2Z,4E,7E,9E)-5-ethenyl-6-phenyl-7-[(Z)-3-phenylprop-1-enyl]undeca-2,4,7,9-tetraen-6-yl]-4-methoxybenzene
SMILESC=C/C(=C\C=C/C)C(C(/C=C\Cc1ccccc1)=C/C=C/C)(c1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C35H36O/c1-5-8-20-30(7-3)35(32-22-14-11-15-23-32,33-25-27-34(36-4)28-26-33)31(21-9-6-2)24-16-19-29-17-12-10-13-18-29/h5-18,20-28H,3,19H2,1-2,4H3/b8-5-,9-6+,24-16-,30-20+,31-21+
InChIKeyHJVHUERXMZSPLZ-PWCBCLKMSA-N
MW472.67 g/mol
LogP8.97
Rot. Bonds11

About 1-[(2Z,4E,7E,9E)-5-ethenyl-6-phenyl-7-[(Z)-3-phenylprop-1-enyl]undeca-2,4,7,9-tetraen-6-yl]-4-methoxybenzene

1-[(2Z,4E,7E,9E)-5-ethenyl-6-phenyl-7-[(Z)-3-phenylprop-1-enyl]undeca-2,4,7,9-tetraen-6-yl]-4-methoxybenzene (PubChem CID 126516005) has the molecular formula C35H36O and a molecular weight of 472.67 g/mol. Its IUPAC name is 1-[(2Z,4E,7E,9E)-5-ethenyl-6-phenyl-7-[(Z)-3-phenylprop-1-enyl]undeca-2,4,7,9-tetraen-6-yl]-4-methoxybenzene.

Molecular Properties

Compound Name1-[(2Z,4E,7E,9E)-5-ethenyl-6-phenyl-7-[(Z)-3-phenylprop-1-enyl]undeca-2,4,7,9-tetraen-6-yl]-4-methoxybenzene
PubChem CID126516005
Molecular FormulaC35H36O
Molecular Weight472.67 g/mol
Exact Mass472.28
IUPAC Name1-[(2Z,4E,7E,9E)-5-ethenyl-6-phenyl-7-[(Z)-3-phenylprop-1-enyl]undeca-2,4,7,9-tetraen-6-yl]-4-methoxybenzene
SMILESC=C/C(=C\C=C/C)C(C(/C=C\Cc1ccccc1)=C/C=C/C)(c1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C35H36O/c1-5-8-20-30(7-3)35(32-22-14-11-15-23-32,33-25-27-34(36-4)28-26-33)31(21-9-6-2)24-16-19-29-17-12-10-13-18-29/h5-18,20-28H,3,19H2,1-2,4H3/b8-5-,9-6+,24-16-,30-20+,31-21+
InChIKeyHJVHUERXMZSPLZ-PWCBCLKMSA-N
XLogP8.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.67
LogP ≤ 58.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[(2Z,4E,7E,9E)-5-ethenyl-6-phenyl-7-[(Z)-3-phenylprop-1-enyl]undeca-2,4,7,9-tetraen-6-yl]-4-methoxybenzene with MolForge

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Related Compounds

[(3E,5Z)-3-ethenyl-2-methylhepta-3,5-dien-2-yl]benzene
CID 142292724
(2E)-2-ethenyl-1-(4-methoxyphenyl)-N-methyl-1-phenylpenta-2,4-dien-1-amine
CID 176716504
ethane;[(3E,5Z)-3-ethenyl-2-phenylhepta-3,5-dien-2-yl]benzene
CID 163276575
(2E)-1-(4-methoxyphenyl)-1-phenyl-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-amine;pentane
CID 144938327
4-(4-methoxyphenyl)but-2-enoic acid
CID 57252854
(E)-4-(4-methoxyphenyl)but-2-enoic acid
CID 67215752
but-2-enylbenzene;prop-1-ene
CID 159250462
1-methoxy-4-[4-(4-methoxyphenyl)but-2-enyl]benzene
CID 54485845
1-methoxy-4-[(E)-5-phenylpent-3-en-1-ynyl]benzene
CID 102111194
1-(4-methoxyphenyl)-1,2,2-triphenylethane-1,2-diol
CID 70611668
1-methoxy-4-[(E)-2-methyl-5-(3-phenoxyphenyl)pent-3-en-2-yl]benzene
CID 13490178
2-(4-methoxyphenyl)-1-phenylbutan-2-ol
CID 79008309

Frequently Asked Questions

What is the IUPAC name of 1-[(2Z,4E,7E,9E)-5-ethenyl-6-phenyl-7-[(Z)-3-phenylprop-1-enyl]undeca-2,4,7,9-tetraen-6-yl]-4-methoxybenzene?
The IUPAC name of 1-[(2Z,4E,7E,9E)-5-ethenyl-6-phenyl-7-[(Z)-3-phenylprop-1-enyl]undeca-2,4,7,9-tetraen-6-yl]-4-methoxybenzene (CID 126516005) is 1-[(2Z,4E,7E,9E)-5-ethenyl-6-phenyl-7-[(Z)-3-phenylprop-1-enyl]undeca-2,4,7,9-tetraen-6-yl]-4-methoxybenzene.
What is the SMILES notation for 1-[(2Z,4E,7E,9E)-5-ethenyl-6-phenyl-7-[(Z)-3-phenylprop-1-enyl]undeca-2,4,7,9-tetraen-6-yl]-4-methoxybenzene?
The canonical SMILES for 1-[(2Z,4E,7E,9E)-5-ethenyl-6-phenyl-7-[(Z)-3-phenylprop-1-enyl]undeca-2,4,7,9-tetraen-6-yl]-4-methoxybenzene is C=C/C(=C\C=C/C)C(C(/C=C\Cc1ccccc1)=C/C=C/C)(c1ccccc1)c1ccc(OC)cc1.
What is the InChIKey of 1-[(2Z,4E,7E,9E)-5-ethenyl-6-phenyl-7-[(Z)-3-phenylprop-1-enyl]undeca-2,4,7,9-tetraen-6-yl]-4-methoxybenzene?
The InChIKey is HJVHUERXMZSPLZ-PWCBCLKMSA-N. The full InChI is InChI=1S/C35H36O/c1-5-8-20-30(7-3)35(32-22-14-11-15-23-32,33-25-27-34(36-4)28-26-33)31(21-9-6-2)24-16-19-29-17-12-10-13-18-29/h5-18,20-28H,3,19H2,1-2,4H3/b8-5-,9-6+,24-16-,30-20+,31-21+.
What are the key properties of 1-[(2Z,4E,7E,9E)-5-ethenyl-6-phenyl-7-[(Z)-3-phenylprop-1-enyl]undeca-2,4,7,9-tetraen-6-yl]-4-methoxybenzene?
1-[(2Z,4E,7E,9E)-5-ethenyl-6-phenyl-7-[(Z)-3-phenylprop-1-enyl]undeca-2,4,7,9-tetraen-6-yl]-4-methoxybenzene has a molecular weight of 472.67 g/mol, XLogP of 8.97, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2Z,4E,7E,9E)-5-ethenyl-6-phenyl-7-[(Z)-3-phenylprop-1-enyl]undeca-2,4,7,9-tetraen-6-yl]-4-methoxybenzene is sourced from PubChem (CID 126516005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).