[(1Z,5Z)-6-phenylhexa-1,5-dien-3-ynyl]benzene

C18H14 — CID 102243742

IUPAC[(1Z,5Z)-6-phenylhexa-1,5-dien-3-ynyl]benzene
SMILESC(#C/C=C\c1ccccc1)/C=C\c1ccccc1
InChIInChI=1S/C18H14/c1(5-11-17-13-7-3-8-14-17)2-6-12-18-15-9-4-10-16-18/h3-16H/b11-5-,12-6-
InChIKeySZGYWVJLKRPART-CBIKUMSCSA-N
MW230.31 g/mol
LogP4.42
Rot. Bonds2

About [(1Z,5Z)-6-phenylhexa-1,5-dien-3-ynyl]benzene

[(1Z,5Z)-6-phenylhexa-1,5-dien-3-ynyl]benzene (PubChem CID 102243742) has the molecular formula C18H14 and a molecular weight of 230.31 g/mol. Its IUPAC name is [(1Z,5Z)-6-phenylhexa-1,5-dien-3-ynyl]benzene.

Molecular Properties

Compound Name[(1Z,5Z)-6-phenylhexa-1,5-dien-3-ynyl]benzene
PubChem CID102243742
Molecular FormulaC18H14
Molecular Weight230.31 g/mol
Exact Mass230.11
IUPAC Name[(1Z,5Z)-6-phenylhexa-1,5-dien-3-ynyl]benzene
SMILESC(#C/C=C\c1ccccc1)/C=C\c1ccccc1
InChIInChI=1S/C18H14/c1(5-11-17-13-7-3-8-14-17)2-6-12-18-15-9-4-10-16-18/h3-16H/b11-5-,12-6-
InChIKeySZGYWVJLKRPART-CBIKUMSCSA-N
XLogP4.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
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': 'triple_bond', 'substructure': 'N/A'}

Analyze [(1Z,5Z)-6-phenylhexa-1,5-dien-3-ynyl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,4-bis(4-phenylbut-3-en-1-ynyl)benzene
CID 71446163
[(1E,5E)-6-nitrohexa-1,5-dien-3-ynyl]benzene
CID 102228268
[(E)-3-phenylprop-2-enylidyne]borane
CID 142315973
CID 70567885
CID 70567885
CID 70569152
CID 70569152
7-phenylhept-6-en-4-ynal
CID 54074869
2-[(E)-4-phenylbut-3-en-1-ynyl]naphthalene
CID 102390272
disodium;hydride;(E)-stilbene
CID 173089328
[(1Z,3Z)-4-phenylbuta-1,3-dienyl]benzene
CID 139179602
hydride;rubidium(1+);stilbene
CID 173437843
4-phenylbuta-1,3-dienylbenzene
CID 162273071
[(E)-dodec-1-en-3-ynyl]benzene
CID 101385247

Frequently Asked Questions

What is the IUPAC name of [(1Z,5Z)-6-phenylhexa-1,5-dien-3-ynyl]benzene?
The IUPAC name of [(1Z,5Z)-6-phenylhexa-1,5-dien-3-ynyl]benzene (CID 102243742) is [(1Z,5Z)-6-phenylhexa-1,5-dien-3-ynyl]benzene.
What is the SMILES notation for [(1Z,5Z)-6-phenylhexa-1,5-dien-3-ynyl]benzene?
The canonical SMILES for [(1Z,5Z)-6-phenylhexa-1,5-dien-3-ynyl]benzene is C(#C/C=C\c1ccccc1)/C=C\c1ccccc1.
What is the InChIKey of [(1Z,5Z)-6-phenylhexa-1,5-dien-3-ynyl]benzene?
The InChIKey is SZGYWVJLKRPART-CBIKUMSCSA-N. The full InChI is InChI=1S/C18H14/c1(5-11-17-13-7-3-8-14-17)2-6-12-18-15-9-4-10-16-18/h3-16H/b11-5-,12-6-.
What are the key properties of [(1Z,5Z)-6-phenylhexa-1,5-dien-3-ynyl]benzene?
[(1Z,5Z)-6-phenylhexa-1,5-dien-3-ynyl]benzene has a molecular weight of 230.31 g/mol, XLogP of 4.42, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1Z,5Z)-6-phenylhexa-1,5-dien-3-ynyl]benzene is sourced from PubChem (CID 102243742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).