[(1Z)-2,4-dibenzyl-5-phenylpenta-1,3-dienyl]benzene

C31H28 — CID 16638609

IUPAC[(1Z)-2,4-dibenzyl-5-phenylpenta-1,3-dienyl]benzene
SMILESC(=C(Cc1ccccc1)Cc1ccccc1)/C(=C\c1ccccc1)Cc1ccccc1
InChIInChI=1S/C31H28/c1-5-13-26(14-6-1)21-30(22-27-15-7-2-8-16-27)25-31(23-28-17-9-3-10-18-28)24-29-19-11-4-12-20-29/h1-21,25H,22-24H2/b30-21-
InChIKeyJDWFZLNRLPOOAK-OFWBYEQRSA-N
MW400.57 g/mol
LogP7.72
Rot. Bonds8

About [(1Z)-2,4-dibenzyl-5-phenylpenta-1,3-dienyl]benzene

[(1Z)-2,4-dibenzyl-5-phenylpenta-1,3-dienyl]benzene (PubChem CID 16638609) has the molecular formula C31H28 and a molecular weight of 400.57 g/mol. Its IUPAC name is [(1Z)-2,4-dibenzyl-5-phenylpenta-1,3-dienyl]benzene.

Molecular Properties

Compound Name[(1Z)-2,4-dibenzyl-5-phenylpenta-1,3-dienyl]benzene
PubChem CID16638609
Molecular FormulaC31H28
Molecular Weight400.57 g/mol
Exact Mass400.22
IUPAC Name[(1Z)-2,4-dibenzyl-5-phenylpenta-1,3-dienyl]benzene
SMILESC(=C(Cc1ccccc1)Cc1ccccc1)/C(=C\c1ccccc1)Cc1ccccc1
InChIInChI=1S/C31H28/c1-5-13-26(14-6-1)21-30(22-27-15-7-2-8-16-27)25-31(23-28-17-9-3-10-18-28)24-29-19-11-4-12-20-29/h1-21,25H,22-24H2/b30-21-
InChIKeyJDWFZLNRLPOOAK-OFWBYEQRSA-N
XLogP7.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.57
LogP ≤ 57.72
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

(2-methyl-3-phenylprop-1-enyl)benzene
CID 15841501
2-benzyl-3-(4-chlorophenyl)prop-2-enal
CID 134235556
[4-(2-benzyl-3-phenylprop-1-enyl)phenyl]methanamine
CID 126569736
5-benzyl-2-methyl-6-phenylhex-5-en-3-one
CID 76748644
1-(2-benzyl-3-phenylprop-1-enyl)-4-methylsulfanylbenzene
CID 141388194
(2-benzyl-3-fluoroprop-2-enyl)benzene;silane
CID 159949787
N-[(Z)-1,3-diphenylprop-1-en-2-yl]aniline
CID 23278559
N-[(E)-1,3-diphenylprop-1-en-2-yl]aniline
CID 23278560
ethyl 3-benzyl-4-phenylbut-2-enoate
CID 10850364
(3Z)-4-benzylhexa-1,3,5-trien-2-ol
CID 144855364
3-fluoro-1-phenylprop-1-en-2-ol
CID 172850528
(E)-2-benzyl-3-iodoprop-2-enal
CID 166527118

Frequently Asked Questions

What is the IUPAC name of [(1Z)-2,4-dibenzyl-5-phenylpenta-1,3-dienyl]benzene?
The IUPAC name of [(1Z)-2,4-dibenzyl-5-phenylpenta-1,3-dienyl]benzene (CID 16638609) is [(1Z)-2,4-dibenzyl-5-phenylpenta-1,3-dienyl]benzene.
What is the SMILES notation for [(1Z)-2,4-dibenzyl-5-phenylpenta-1,3-dienyl]benzene?
The canonical SMILES for [(1Z)-2,4-dibenzyl-5-phenylpenta-1,3-dienyl]benzene is C(=C(Cc1ccccc1)Cc1ccccc1)/C(=C\c1ccccc1)Cc1ccccc1.
What is the InChIKey of [(1Z)-2,4-dibenzyl-5-phenylpenta-1,3-dienyl]benzene?
The InChIKey is JDWFZLNRLPOOAK-OFWBYEQRSA-N. The full InChI is InChI=1S/C31H28/c1-5-13-26(14-6-1)21-30(22-27-15-7-2-8-16-27)25-31(23-28-17-9-3-10-18-28)24-29-19-11-4-12-20-29/h1-21,25H,22-24H2/b30-21-.
What are the key properties of [(1Z)-2,4-dibenzyl-5-phenylpenta-1,3-dienyl]benzene?
[(1Z)-2,4-dibenzyl-5-phenylpenta-1,3-dienyl]benzene has a molecular weight of 400.57 g/mol, XLogP of 7.72, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1Z)-2,4-dibenzyl-5-phenylpenta-1,3-dienyl]benzene is sourced from PubChem (CID 16638609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).