[(3E)-3-ethenyl-2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-phenylhexa-1,3,5-trienyl]benzene

C27H26 — CID 142373254

IUPAC[(3E)-3-ethenyl-2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-phenylhexa-1,3,5-trienyl]benzene
SMILESC=C/C=C(/C=C\C)C(=C(c1ccccc1)c1ccccc1)/C(C=C)=C/C=C
InChIInChI=1S/C27H26/c1-5-15-22(8-4)26(23(16-6-2)17-7-3)27(24-18-11-9-12-19-24)25-20-13-10-14-21-25/h5-21H,1-2,4H2,3H3/b17-7-,22-15+,23-16+
InChIKeyBDWASXNZGOBCBE-IVFKNSKOSA-N
MW350.51 g/mol
LogP7.48
Rot. Bonds8

About [(3E)-3-ethenyl-2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-phenylhexa-1,3,5-trienyl]benzene

[(3E)-3-ethenyl-2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-phenylhexa-1,3,5-trienyl]benzene (PubChem CID 142373254) has the molecular formula C27H26 and a molecular weight of 350.51 g/mol. Its IUPAC name is [(3E)-3-ethenyl-2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-phenylhexa-1,3,5-trienyl]benzene.

Molecular Properties

Compound Name[(3E)-3-ethenyl-2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-phenylhexa-1,3,5-trienyl]benzene
PubChem CID142373254
Molecular FormulaC27H26
Molecular Weight350.51 g/mol
Exact Mass350.20
IUPAC Name[(3E)-3-ethenyl-2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-phenylhexa-1,3,5-trienyl]benzene
SMILESC=C/C=C(/C=C\C)C(=C(c1ccccc1)c1ccccc1)/C(C=C)=C/C=C
InChIInChI=1S/C27H26/c1-5-15-22(8-4)26(23(16-6-2)17-7-3)27(24-18-11-9-12-19-24)25-20-13-10-14-21-25/h5-21H,1-2,4H2,3H3/b17-7-,22-15+,23-16+
InChIKeyBDWASXNZGOBCBE-IVFKNSKOSA-N
XLogP7.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.51
LogP ≤ 57.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

4-ethenyl-5-ethylideneocta-1,3,6-triene
CID 123583886
N'-[2-[(Z)-prop-1-enyl]penta-2,4-dienimidoyl]benzenecarboximidamide
CID 174316309
[(3E,5E,7E)-7-ethenyl-6-methyldeca-1,3,5,7,9-pentaen-4-yl]benzene
CID 145134846
(2E,4Z)-2-ethenyl-N-methyl-1-phenylhexa-2,4-dien-1-imine
CID 129227645
(2S)-5,5-dimethyl-2-[[(2E)-1-phenyl-2-[(Z)-prop-1-enyl]penta-2,4-dienylidene]amino]hexan-3-one
CID 144714215
N-ethyl-N-[3-[ethyl-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienoyl]amino]propyl]benzamide
CID 143859696
1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-[(3E)-hexa-1,3,5-trien-3-yl]benzene
CID 144938700
ethane;(3E,6E)-4-ethenyl-6-[(Z)-prop-1-enyl]nona-1,3,6,8-tetraen-5-one
CID 142285678
[(2E,5Z)-4-methylidenehepta-2,5-dien-3-yl]benzene
CID 153494817
N-[(2E)-1-amino-2-ethenylpenta-2,4-dienylidene]-N'-methylbenzenecarboximidamide
CID 142597638
[(3E)-3-ethenylhexa-1,3,5-trien-2-yl] benzoate
CID 143295221
(1Z,3E,5Z)-3-ethenyl-1-phenylhepta-1,3,5-triene-1,2-dithiol
CID 145408406

Frequently Asked Questions

What is the IUPAC name of [(3E)-3-ethenyl-2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-phenylhexa-1,3,5-trienyl]benzene?
The IUPAC name of [(3E)-3-ethenyl-2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-phenylhexa-1,3,5-trienyl]benzene (CID 142373254) is [(3E)-3-ethenyl-2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-phenylhexa-1,3,5-trienyl]benzene.
What is the SMILES notation for [(3E)-3-ethenyl-2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-phenylhexa-1,3,5-trienyl]benzene?
The canonical SMILES for [(3E)-3-ethenyl-2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-phenylhexa-1,3,5-trienyl]benzene is C=C/C=C(/C=C\C)C(=C(c1ccccc1)c1ccccc1)/C(C=C)=C/C=C.
What is the InChIKey of [(3E)-3-ethenyl-2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-phenylhexa-1,3,5-trienyl]benzene?
The InChIKey is BDWASXNZGOBCBE-IVFKNSKOSA-N. The full InChI is InChI=1S/C27H26/c1-5-15-22(8-4)26(23(16-6-2)17-7-3)27(24-18-11-9-12-19-24)25-20-13-10-14-21-25/h5-21H,1-2,4H2,3H3/b17-7-,22-15+,23-16+.
What are the key properties of [(3E)-3-ethenyl-2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-phenylhexa-1,3,5-trienyl]benzene?
[(3E)-3-ethenyl-2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-phenylhexa-1,3,5-trienyl]benzene has a molecular weight of 350.51 g/mol, XLogP of 7.48, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E)-3-ethenyl-2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-phenylhexa-1,3,5-trienyl]benzene is sourced from PubChem (CID 142373254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).