1-phenyl-2-[(1Z)-1-phenylbuta-1,3-dienyl]benzene

C22H18 — CID 139038108

IUPAC1-phenyl-2-[(1Z)-1-phenylbuta-1,3-dienyl]benzene
SMILESC=C/C=C(/c1ccccc1)c1ccccc1-c1ccccc1
InChIInChI=1S/C22H18/c1-2-11-20(18-12-5-3-6-13-18)22-17-10-9-16-21(22)19-14-7-4-8-15-19/h2-17H,1H2/b20-11-
InChIKeyBVVXXSDLVVWEBG-JAIQZWGSSA-N
MW282.39 g/mol
LogP5.97
Rot. Bonds4

About 1-phenyl-2-[(1Z)-1-phenylbuta-1,3-dienyl]benzene

1-phenyl-2-[(1Z)-1-phenylbuta-1,3-dienyl]benzene (PubChem CID 139038108) has the molecular formula C22H18 and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-phenyl-2-[(1Z)-1-phenylbuta-1,3-dienyl]benzene.

Molecular Properties

Compound Name1-phenyl-2-[(1Z)-1-phenylbuta-1,3-dienyl]benzene
PubChem CID139038108
Molecular FormulaC22H18
Molecular Weight282.39 g/mol
Exact Mass282.14
IUPAC Name1-phenyl-2-[(1Z)-1-phenylbuta-1,3-dienyl]benzene
SMILESC=C/C=C(/c1ccccc1)c1ccccc1-c1ccccc1
InChIInChI=1S/C22H18/c1-2-11-20(18-12-5-3-6-13-18)22-17-10-9-16-21(22)19-14-7-4-8-15-19/h2-17H,1H2/b20-11-
InChIKeyBVVXXSDLVVWEBG-JAIQZWGSSA-N
XLogP5.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.39
LogP ≤ 55.97
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

1-phenylbuta-1,3-dienylbenzene;samarium
CID 173396801
3,6-bis[(1Z)-1-phenylbuta-1,3-dienyl]benzene-1,2-diamine
CID 89196308
1,4-dimethyl-2-[(1E)-1-phenylbuta-1,3-dienyl]benzene
CID 102501340
12-phenyl-6-[(1Z)-1-tetraphenylen-2-ylbuta-1,3-dienyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene
CID 118145353
phenyl-[2-(2-phenylbenzoyl)phenyl]methanone
CID 141429590
benzoic acid;ethane;bis(2-phenylbenzoic acid)
CID 158851382
3-(2-chlorophenyl)-3-phenylprop-2-enal
CID 71369713
4-bromo-2-[(Z)-1,2-diphenylethenyl]-1-phenylbenzene
CID 66868039
(1Z)-1-phenylbuta-1,3-diene-1-thiol
CID 11193677
1-(1-azulen-1-ylethenyl)azulene
CID 21389906
benzoic acid;2-phenylbenzamide
CID 70205361
1-[(E)-1-methoxyprop-1-en-2-yl]-2-phenylbenzene
CID 102364052

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-[(1Z)-1-phenylbuta-1,3-dienyl]benzene?
The IUPAC name of 1-phenyl-2-[(1Z)-1-phenylbuta-1,3-dienyl]benzene (CID 139038108) is 1-phenyl-2-[(1Z)-1-phenylbuta-1,3-dienyl]benzene.
What is the SMILES notation for 1-phenyl-2-[(1Z)-1-phenylbuta-1,3-dienyl]benzene?
The canonical SMILES for 1-phenyl-2-[(1Z)-1-phenylbuta-1,3-dienyl]benzene is C=C/C=C(/c1ccccc1)c1ccccc1-c1ccccc1.
What is the InChIKey of 1-phenyl-2-[(1Z)-1-phenylbuta-1,3-dienyl]benzene?
The InChIKey is BVVXXSDLVVWEBG-JAIQZWGSSA-N. The full InChI is InChI=1S/C22H18/c1-2-11-20(18-12-5-3-6-13-18)22-17-10-9-16-21(22)19-14-7-4-8-15-19/h2-17H,1H2/b20-11-.
What are the key properties of 1-phenyl-2-[(1Z)-1-phenylbuta-1,3-dienyl]benzene?
1-phenyl-2-[(1Z)-1-phenylbuta-1,3-dienyl]benzene has a molecular weight of 282.39 g/mol, XLogP of 5.97, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-[(1Z)-1-phenylbuta-1,3-dienyl]benzene is sourced from PubChem (CID 139038108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).