[(1E,4Z)-4,5-diphenylhexa-1,4-dienyl]benzene

C24H22 — CID 12007048

IUPAC[(1E,4Z)-4,5-diphenylhexa-1,4-dienyl]benzene
SMILESC/C(=C(\C/C=C/c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H22/c1-20(22-15-7-3-8-16-22)24(23-17-9-4-10-18-23)19-11-14-21-12-5-2-6-13-21/h2-18H,19H2,1H3/b14-11+,24-20-
InChIKeyDPCJCHXKZINRDQ-MBZGHTCYSA-N
MW310.44 g/mol
LogP6.72
Rot. Bonds5

About [(1E,4Z)-4,5-diphenylhexa-1,4-dienyl]benzene

[(1E,4Z)-4,5-diphenylhexa-1,4-dienyl]benzene (PubChem CID 12007048) has the molecular formula C24H22 and a molecular weight of 310.44 g/mol. Its IUPAC name is [(1E,4Z)-4,5-diphenylhexa-1,4-dienyl]benzene.

Molecular Properties

Compound Name[(1E,4Z)-4,5-diphenylhexa-1,4-dienyl]benzene
PubChem CID12007048
Molecular FormulaC24H22
Molecular Weight310.44 g/mol
Exact Mass310.17
IUPAC Name[(1E,4Z)-4,5-diphenylhexa-1,4-dienyl]benzene
SMILESC/C(=C(\C/C=C/c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H22/c1-20(22-15-7-3-8-16-22)24(23-17-9-4-10-18-23)19-11-14-21-12-5-2-6-13-21/h2-18H,19H2,1H3/b14-11+,24-20-
InChIKeyDPCJCHXKZINRDQ-MBZGHTCYSA-N
XLogP6.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.44
LogP ≤ 56.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,3-diphenylbut-2-en-1-ol
CID 91085638
(E)-1-(4-acetylphenyl)-4-phenylbut-3-en-1-one
CID 46928519
[(1E)-5-phenylpenta-1,4-dienyl]benzene
CID 91021368
benzene;but-1-enylbenzene
CID 157481332
trimethyl-[(E)-3-phenylprop-2-enyl]azanium
CID 6434151
zinc bis(4-phenylbut-3-enoate)
CID 66673127
methyl 4-phenylbut-3-enoate;molecular nitrogen
CID 175524038
N,N-diethyl-4-phenylbut-3-enamide
CID 71333088
CID 70569152
CID 70569152
2-methylbut-2-enoic acid;2-methylidene-5-phenylpent-4-enoic acid
CID 70152927
acetic acid;stilbene
CID 172803728
[(Z)-4-methylhex-3-en-3-yl]benzene
CID 142361639

Frequently Asked Questions

What is the IUPAC name of [(1E,4Z)-4,5-diphenylhexa-1,4-dienyl]benzene?
The IUPAC name of [(1E,4Z)-4,5-diphenylhexa-1,4-dienyl]benzene (CID 12007048) is [(1E,4Z)-4,5-diphenylhexa-1,4-dienyl]benzene.
What is the SMILES notation for [(1E,4Z)-4,5-diphenylhexa-1,4-dienyl]benzene?
The canonical SMILES for [(1E,4Z)-4,5-diphenylhexa-1,4-dienyl]benzene is C/C(=C(\C/C=C/c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of [(1E,4Z)-4,5-diphenylhexa-1,4-dienyl]benzene?
The InChIKey is DPCJCHXKZINRDQ-MBZGHTCYSA-N. The full InChI is InChI=1S/C24H22/c1-20(22-15-7-3-8-16-22)24(23-17-9-4-10-18-23)19-11-14-21-12-5-2-6-13-21/h2-18H,19H2,1H3/b14-11+,24-20-.
What are the key properties of [(1E,4Z)-4,5-diphenylhexa-1,4-dienyl]benzene?
[(1E,4Z)-4,5-diphenylhexa-1,4-dienyl]benzene has a molecular weight of 310.44 g/mol, XLogP of 6.72, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E,4Z)-4,5-diphenylhexa-1,4-dienyl]benzene is sourced from PubChem (CID 12007048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).