[(1E)-1-chloro-4,4-diphenylbuta-1,3-dienyl]benzene

C22H17Cl — CID 54610555

IUPAC[(1E)-1-chloro-4,4-diphenylbuta-1,3-dienyl]benzene
SMILESCl/C(=C/C=C(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H17Cl/c23-22(20-14-8-3-9-15-20)17-16-21(18-10-4-1-5-11-18)19-12-6-2-7-13-19/h1-17H/b22-17+
InChIKeyUUGYYGHFNXKBST-OQKWZONESA-N
MW316.83 g/mol
LogP6.40
Rot. Bonds4

About [(1E)-1-chloro-4,4-diphenylbuta-1,3-dienyl]benzene

[(1E)-1-chloro-4,4-diphenylbuta-1,3-dienyl]benzene (PubChem CID 54610555) has the molecular formula C22H17Cl and a molecular weight of 316.83 g/mol. Its IUPAC name is [(1E)-1-chloro-4,4-diphenylbuta-1,3-dienyl]benzene.

Molecular Properties

Compound Name[(1E)-1-chloro-4,4-diphenylbuta-1,3-dienyl]benzene
PubChem CID54610555
Molecular FormulaC22H17Cl
Molecular Weight316.83 g/mol
Exact Mass316.10
IUPAC Name[(1E)-1-chloro-4,4-diphenylbuta-1,3-dienyl]benzene
SMILESCl/C(=C/C=C(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H17Cl/c23-22(20-14-8-3-9-15-20)17-16-21(18-10-4-1-5-11-18)19-12-6-2-7-13-19/h1-17H/b22-17+
InChIKeyUUGYYGHFNXKBST-OQKWZONESA-N
XLogP6.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.83
LogP ≤ 56.40
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

[(3E)-1,6,6-triphenylhexa-1,3,5-trienyl]benzene
CID 15791647
(NZ)-N-[(Z)-3-chloro-3-phenylprop-2-enylidene]hydroxylamine
CID 73010452
4-[1-(4-aminophenyl)-4,4-diphenylbuta-1,3-dienyl]aniline
CID 22124141
1-phenylbuta-1,3-dienylbenzene;samarium
CID 173396801
4-[(1E,3E)-1,4-diphenyl-4-[4-(N-phenylanilino)phenyl]buta-1,3-dienyl]-N,N-diphenylaniline
CID 59084118
tetrachloro-(2-chloro-2-phenylethenyl)-λ5-phosphane
CID 71388118
(Z)-3-chloro-3-phenylprop-2-enoyl chloride
CID 13053218
2,4-dichloro-1-[(1E,3Z)-4-chloro-4-phenylbuta-1,3-dienyl]benzene
CID 10686344
[(1E)-1-iodo-4,4-diphenylbuta-1,3-dienyl]-trimethylsilane
CID 10250621
[(E)-2-chloro-2-phenylethenyl]-trifluoroboranuide
CID 102291546
(Z)-3-chloro-1,3-diphenylprop-2-en-1-one
CID 12890118
bis(2-chloro-2-phenylethenyl)phosphinic acid
CID 71361509

Frequently Asked Questions

What is the IUPAC name of [(1E)-1-chloro-4,4-diphenylbuta-1,3-dienyl]benzene?
The IUPAC name of [(1E)-1-chloro-4,4-diphenylbuta-1,3-dienyl]benzene (CID 54610555) is [(1E)-1-chloro-4,4-diphenylbuta-1,3-dienyl]benzene.
What is the SMILES notation for [(1E)-1-chloro-4,4-diphenylbuta-1,3-dienyl]benzene?
The canonical SMILES for [(1E)-1-chloro-4,4-diphenylbuta-1,3-dienyl]benzene is Cl/C(=C/C=C(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of [(1E)-1-chloro-4,4-diphenylbuta-1,3-dienyl]benzene?
The InChIKey is UUGYYGHFNXKBST-OQKWZONESA-N. The full InChI is InChI=1S/C22H17Cl/c23-22(20-14-8-3-9-15-20)17-16-21(18-10-4-1-5-11-18)19-12-6-2-7-13-19/h1-17H/b22-17+.
What are the key properties of [(1E)-1-chloro-4,4-diphenylbuta-1,3-dienyl]benzene?
[(1E)-1-chloro-4,4-diphenylbuta-1,3-dienyl]benzene has a molecular weight of 316.83 g/mol, XLogP of 6.40, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E)-1-chloro-4,4-diphenylbuta-1,3-dienyl]benzene is sourced from PubChem (CID 54610555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).