1-ethenyl-4-[(E)-2-[4-[4-[(1Z)-3-methyl-2-phenylbuta-1,3-dienyl]phenyl]phenyl]-1-phenylethenyl]benzene

C39H32 — CID 143286377

IUPAC1-ethenyl-4-[(E)-2-[4-[4-[(1Z)-3-methyl-2-phenylbuta-1,3-dienyl]phenyl]phenyl]-1-phenylethenyl]benzene
SMILESC=Cc1ccc(/C(=C/c2ccc(-c3ccc(/C=C(/C(=C)C)c4ccccc4)cc3)cc2)c2ccccc2)cc1
InChIInChI=1S/C39H32/c1-4-30-15-25-37(26-16-30)39(36-13-9-6-10-14-36)28-32-19-23-34(24-20-32)33-21-17-31(18-22-33)27-38(29(2)3)35-11-7-5-8-12-35/h4-28H,1-2H2,3H3/b38-27-,39-28+
InChIKeyGGRQLZXRCAUSFY-WITPOYJRSA-N
MW500.69 g/mol
LogP10.70
Rot. Bonds8

About 1-ethenyl-4-[(E)-2-[4-[4-[(1Z)-3-methyl-2-phenylbuta-1,3-dienyl]phenyl]phenyl]-1-phenylethenyl]benzene

1-ethenyl-4-[(E)-2-[4-[4-[(1Z)-3-methyl-2-phenylbuta-1,3-dienyl]phenyl]phenyl]-1-phenylethenyl]benzene (PubChem CID 143286377) has the molecular formula C39H32 and a molecular weight of 500.69 g/mol. Its IUPAC name is 1-ethenyl-4-[(E)-2-[4-[4-[(1Z)-3-methyl-2-phenylbuta-1,3-dienyl]phenyl]phenyl]-1-phenylethenyl]benzene.

Molecular Properties

Compound Name1-ethenyl-4-[(E)-2-[4-[4-[(1Z)-3-methyl-2-phenylbuta-1,3-dienyl]phenyl]phenyl]-1-phenylethenyl]benzene
PubChem CID143286377
Molecular FormulaC39H32
Molecular Weight500.69 g/mol
Exact Mass500.25
IUPAC Name1-ethenyl-4-[(E)-2-[4-[4-[(1Z)-3-methyl-2-phenylbuta-1,3-dienyl]phenyl]phenyl]-1-phenylethenyl]benzene
SMILESC=Cc1ccc(/C(=C/c2ccc(-c3ccc(/C=C(/C(=C)C)c4ccccc4)cc3)cc2)c2ccccc2)cc1
InChIInChI=1S/C39H32/c1-4-30-15-25-37(26-16-30)39(36-13-9-6-10-14-36)28-32-19-23-34(24-20-32)33-21-17-31(18-22-33)27-38(29(2)3)35-11-7-5-8-12-35/h4-28H,1-2H2,3H3/b38-27-,39-28+
InChIKeyGGRQLZXRCAUSFY-WITPOYJRSA-N
XLogP10.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.69
LogP ≤ 510.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-[(Z)-1,2-diphenylethenyl]-4-[4-[(Z)-1,2-diphenylethenyl]phenyl]benzene
CID 173002469
1-(1,2-diphenylethenyl)-4-phenylbenzene
CID 54005685
1,4-bis[4-[4-(2,2-diphenylethenyl)phenyl]phenyl]benzene;methane;tris(1-phenylprop-1-enylbenzene)
CID 158090471
1-(2,2-diphenylethenyl)-4-[2-[4-[4-[2-[4-(2,2-diphenylethenyl)phenyl]ethenyl]phenyl]phenyl]ethenyl]benzene
CID 59965271
[4-[2-[4-[4-(2,2-diphenylethenyl)phenyl]phenyl]-1-phenylethenyl]phenyl]-methylsilane
CID 123788306
4-[(Z)-2-[4-[4-[(E)-2-[4-(diethylamino)phenyl]-2-phenylethenyl]phenyl]phenyl]-1-phenylethenyl]-N,N-diethylaniline
CID 59935150
tetrakis[4-[2-[4-(4-methylphenyl)phenyl]-1-phenylethenyl]phenyl]germane
CID 154407148
N,N,N',N'-tetrakis[4-[4-[2-(4-methylphenyl)-1-phenylethenyl]phenyl]phenyl]ethane-1,2-diamine
CID 142720916
1,4-diphenylbenzene;[(1E,3E)-1,3,4-triphenylbuta-1,3-dien-2-yl]benzene
CID 22765483
1-[(E)-2-cyclohexa-1,5-dien-1-yl-2-phenylethenyl]-4-[4-(2,2-diphenylethenyl)phenyl]benzene
CID 140884240
bis(prop-1-en-2-ylbenzene);styrene
CID 157311042
1,4-bis[(E)-2-[4-(2,2-diphenylethenyl)phenyl]ethenyl]benzene
CID 20678091

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-4-[(E)-2-[4-[4-[(1Z)-3-methyl-2-phenylbuta-1,3-dienyl]phenyl]phenyl]-1-phenylethenyl]benzene?
The IUPAC name of 1-ethenyl-4-[(E)-2-[4-[4-[(1Z)-3-methyl-2-phenylbuta-1,3-dienyl]phenyl]phenyl]-1-phenylethenyl]benzene (CID 143286377) is 1-ethenyl-4-[(E)-2-[4-[4-[(1Z)-3-methyl-2-phenylbuta-1,3-dienyl]phenyl]phenyl]-1-phenylethenyl]benzene.
What is the SMILES notation for 1-ethenyl-4-[(E)-2-[4-[4-[(1Z)-3-methyl-2-phenylbuta-1,3-dienyl]phenyl]phenyl]-1-phenylethenyl]benzene?
The canonical SMILES for 1-ethenyl-4-[(E)-2-[4-[4-[(1Z)-3-methyl-2-phenylbuta-1,3-dienyl]phenyl]phenyl]-1-phenylethenyl]benzene is C=Cc1ccc(/C(=C/c2ccc(-c3ccc(/C=C(/C(=C)C)c4ccccc4)cc3)cc2)c2ccccc2)cc1.
What is the InChIKey of 1-ethenyl-4-[(E)-2-[4-[4-[(1Z)-3-methyl-2-phenylbuta-1,3-dienyl]phenyl]phenyl]-1-phenylethenyl]benzene?
The InChIKey is GGRQLZXRCAUSFY-WITPOYJRSA-N. The full InChI is InChI=1S/C39H32/c1-4-30-15-25-37(26-16-30)39(36-13-9-6-10-14-36)28-32-19-23-34(24-20-32)33-21-17-31(18-22-33)27-38(29(2)3)35-11-7-5-8-12-35/h4-28H,1-2H2,3H3/b38-27-,39-28+.
What are the key properties of 1-ethenyl-4-[(E)-2-[4-[4-[(1Z)-3-methyl-2-phenylbuta-1,3-dienyl]phenyl]phenyl]-1-phenylethenyl]benzene?
1-ethenyl-4-[(E)-2-[4-[4-[(1Z)-3-methyl-2-phenylbuta-1,3-dienyl]phenyl]phenyl]-1-phenylethenyl]benzene has a molecular weight of 500.69 g/mol, XLogP of 10.70, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-4-[(E)-2-[4-[4-[(1Z)-3-methyl-2-phenylbuta-1,3-dienyl]phenyl]phenyl]-1-phenylethenyl]benzene is sourced from PubChem (CID 143286377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).