[(1E,3E)-4-phenylhexa-1,3,5-trienyl]benzene

C18H16 — CID 14747138

IUPAC[(1E,3E)-4-phenylhexa-1,3,5-trienyl]benzene
SMILESC=C/C(=C\C=C\c1ccccc1)c1ccccc1
InChIInChI=1S/C18H16/c1-2-17(18-13-7-4-8-14-18)15-9-12-16-10-5-3-6-11-16/h2-15H,1H2/b12-9+,17-15+
InChIKeyIKRUXRODDOAJKM-VAOWDNLSSA-N
MW232.33 g/mol
LogP4.97
Rot. Bonds4

About [(1E,3E)-4-phenylhexa-1,3,5-trienyl]benzene

[(1E,3E)-4-phenylhexa-1,3,5-trienyl]benzene (PubChem CID 14747138) has the molecular formula C18H16 and a molecular weight of 232.33 g/mol. Its IUPAC name is [(1E,3E)-4-phenylhexa-1,3,5-trienyl]benzene.

Molecular Properties

Compound Name[(1E,3E)-4-phenylhexa-1,3,5-trienyl]benzene
PubChem CID14747138
Molecular FormulaC18H16
Molecular Weight232.33 g/mol
Exact Mass232.13
IUPAC Name[(1E,3E)-4-phenylhexa-1,3,5-trienyl]benzene
SMILESC=C/C(=C\C=C\c1ccccc1)c1ccccc1
InChIInChI=1S/C18H16/c1-2-17(18-13-7-4-8-14-18)15-9-12-16-10-5-3-6-11-16/h2-15H,1H2/b12-9+,17-15+
InChIKeyIKRUXRODDOAJKM-VAOWDNLSSA-N
XLogP4.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[(1Z,3E)-4-phenylhexa-1,3,5-trienyl]benzene
CID 145204139
2,5-diphenylpenta-2,4-dienal
CID 173316530
1-(4,4-diphenylbuta-1,3-dienyl)-4-(4-phenylbuta-1,3-dienyl)benzene
CID 173138979
[(3E,5E)-nona-1,3,5-trien-3-yl]benzene
CID 100974520
ethane;methanol;[(3E,5Z)-octa-1,3,5-trien-3-yl]benzene
CID 145162668
1-(1,4,13,15,18-pentakis-phenyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-6-yl)-4-phenylbenzene
CID 123910239
ethane;[(3E)-hexa-1,3,5-trien-3-yl]benzene;molecular hydrogen
CID 142347036
(2Z,4E)-2-ethenyl-5-phenylpenta-2,4-dienenitrile
CID 12034343
9-[(1Z,3E)-4-phenylhexa-1,3,5-trienyl]naphtho[2,1-b][1]benzothiole
CID 144659088
(2Z,4E)-2,5-diphenylpenta-2,4-dienoic acid
CID 6108389
4-methylpenta-1,3-dienylbenzene
CID 3614395
1-chloro-4-phenylbuta-1,3-dien-1-ol
CID 88848274

Frequently Asked Questions

What is the IUPAC name of [(1E,3E)-4-phenylhexa-1,3,5-trienyl]benzene?
The IUPAC name of [(1E,3E)-4-phenylhexa-1,3,5-trienyl]benzene (CID 14747138) is [(1E,3E)-4-phenylhexa-1,3,5-trienyl]benzene.
What is the SMILES notation for [(1E,3E)-4-phenylhexa-1,3,5-trienyl]benzene?
The canonical SMILES for [(1E,3E)-4-phenylhexa-1,3,5-trienyl]benzene is C=C/C(=C\C=C\c1ccccc1)c1ccccc1.
What is the InChIKey of [(1E,3E)-4-phenylhexa-1,3,5-trienyl]benzene?
The InChIKey is IKRUXRODDOAJKM-VAOWDNLSSA-N. The full InChI is InChI=1S/C18H16/c1-2-17(18-13-7-4-8-14-18)15-9-12-16-10-5-3-6-11-16/h2-15H,1H2/b12-9+,17-15+.
What are the key properties of [(1E,3E)-4-phenylhexa-1,3,5-trienyl]benzene?
[(1E,3E)-4-phenylhexa-1,3,5-trienyl]benzene has a molecular weight of 232.33 g/mol, XLogP of 4.97, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E,3E)-4-phenylhexa-1,3,5-trienyl]benzene is sourced from PubChem (CID 14747138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).