[(1E,3Z)-4-phenylhexa-1,3-dien-5-ynyl]benzene

C18H14 — CID 100974511

IUPAC[(1E,3Z)-4-phenylhexa-1,3-dien-5-ynyl]benzene
SMILESC#C/C(=C/C=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C18H14/c1-2-17(18-13-7-4-8-14-18)15-9-12-16-10-5-3-6-11-16/h1,3-15H/b12-9+,17-15-
InChIKeyCNPAUXVECSHAFS-PCEKLBEFSA-N
MW230.31 g/mol
LogP4.42
Rot. Bonds3

About [(1E,3Z)-4-phenylhexa-1,3-dien-5-ynyl]benzene

[(1E,3Z)-4-phenylhexa-1,3-dien-5-ynyl]benzene (PubChem CID 100974511) has the molecular formula C18H14 and a molecular weight of 230.31 g/mol. Its IUPAC name is [(1E,3Z)-4-phenylhexa-1,3-dien-5-ynyl]benzene.

Molecular Properties

Compound Name[(1E,3Z)-4-phenylhexa-1,3-dien-5-ynyl]benzene
PubChem CID100974511
Molecular FormulaC18H14
Molecular Weight230.31 g/mol
Exact Mass230.11
IUPAC Name[(1E,3Z)-4-phenylhexa-1,3-dien-5-ynyl]benzene
SMILESC#C/C(=C/C=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C18H14/c1-2-17(18-13-7-4-8-14-18)15-9-12-16-10-5-3-6-11-16/h1,3-15H/b12-9+,17-15-
InChIKeyCNPAUXVECSHAFS-PCEKLBEFSA-N
XLogP4.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

6-iodohexa-3,5-dien-1-yn-3-ylbenzene
CID 71377976
(2E,4Z)-2-(4-fluorophenyl)-5-phenylpenta-2,4-dienenitrile
CID 20836458
1-(4,4-diphenylbuta-1,3-dienyl)-4-(4-phenylbuta-1,3-dienyl)benzene
CID 173138979
2-(4-methoxyphenyl)-5-phenylpenta-2,4-dienenitrile
CID 3317052
[(1E)-4-bromo-4-fluorobuta-1,3-dienyl]benzene
CID 134853789
[(1E,3E)-4-phenylhexa-1,3,5-trienyl]benzene
CID 14747138
[(1Z,3E)-4-phenylhexa-1,3,5-trienyl]benzene
CID 145204139
(2Z,4E)-2,5-diphenylpenta-2,4-dienoic acid
CID 6108389
2,5-diphenylpenta-2,4-dienal
CID 173316530
4-methylpenta-1,3-dienylbenzene
CID 3614395
1-chloro-4-phenylbuta-1,3-dien-1-ol
CID 88848274
4-phenylbuta-1,3-dienylbenzene
CID 162273071

Frequently Asked Questions

What is the IUPAC name of [(1E,3Z)-4-phenylhexa-1,3-dien-5-ynyl]benzene?
The IUPAC name of [(1E,3Z)-4-phenylhexa-1,3-dien-5-ynyl]benzene (CID 100974511) is [(1E,3Z)-4-phenylhexa-1,3-dien-5-ynyl]benzene.
What is the SMILES notation for [(1E,3Z)-4-phenylhexa-1,3-dien-5-ynyl]benzene?
The canonical SMILES for [(1E,3Z)-4-phenylhexa-1,3-dien-5-ynyl]benzene is C#C/C(=C/C=C/c1ccccc1)c1ccccc1.
What is the InChIKey of [(1E,3Z)-4-phenylhexa-1,3-dien-5-ynyl]benzene?
The InChIKey is CNPAUXVECSHAFS-PCEKLBEFSA-N. The full InChI is InChI=1S/C18H14/c1-2-17(18-13-7-4-8-14-18)15-9-12-16-10-5-3-6-11-16/h1,3-15H/b12-9+,17-15-.
What are the key properties of [(1E,3Z)-4-phenylhexa-1,3-dien-5-ynyl]benzene?
[(1E,3Z)-4-phenylhexa-1,3-dien-5-ynyl]benzene has a molecular weight of 230.31 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E,3Z)-4-phenylhexa-1,3-dien-5-ynyl]benzene is sourced from PubChem (CID 100974511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).