1-[(E)-2-cyclohexa-1,5-dien-1-yl-2-phenylethenyl]-4-[4-(2,2-diphenylethenyl)phenyl]benzene

C40H32 — CID 140884240

IUPAC1-[(E)-2-cyclohexa-1,5-dien-1-yl-2-phenylethenyl]-4-[4-(2,2-diphenylethenyl)phenyl]benzene
SMILESC1=CC(/C(=C\c2ccc(-c3ccc(C=C(c4ccccc4)c4ccccc4)cc3)cc2)c2ccccc2)=CCC1
InChIInChI=1S/C40H32/c1-5-13-35(14-6-1)39(36-15-7-2-8-16-36)29-31-21-25-33(26-22-31)34-27-23-32(24-28-34)30-40(37-17-9-3-10-18-37)38-19-11-4-12-20-38/h1-3,5-11,13-30H,4,12H2/b40-30-
InChIKeyPZUHPTKYXCPUJQ-DFGGBBJBSA-N
MW512.70 g/mol
LogP10.76
Rot. Bonds7

About 1-[(E)-2-cyclohexa-1,5-dien-1-yl-2-phenylethenyl]-4-[4-(2,2-diphenylethenyl)phenyl]benzene

1-[(E)-2-cyclohexa-1,5-dien-1-yl-2-phenylethenyl]-4-[4-(2,2-diphenylethenyl)phenyl]benzene (PubChem CID 140884240) has the molecular formula C40H32 and a molecular weight of 512.70 g/mol. Its IUPAC name is 1-[(E)-2-cyclohexa-1,5-dien-1-yl-2-phenylethenyl]-4-[4-(2,2-diphenylethenyl)phenyl]benzene.

Molecular Properties

Compound Name1-[(E)-2-cyclohexa-1,5-dien-1-yl-2-phenylethenyl]-4-[4-(2,2-diphenylethenyl)phenyl]benzene
PubChem CID140884240
Molecular FormulaC40H32
Molecular Weight512.70 g/mol
Exact Mass512.25
IUPAC Name1-[(E)-2-cyclohexa-1,5-dien-1-yl-2-phenylethenyl]-4-[4-(2,2-diphenylethenyl)phenyl]benzene
SMILESC1=CC(/C(=C\c2ccc(-c3ccc(C=C(c4ccccc4)c4ccccc4)cc3)cc2)c2ccccc2)=CCC1
InChIInChI=1S/C40H32/c1-5-13-35(14-6-1)39(36-15-7-2-8-16-36)29-31-21-25-33(26-22-31)34-27-23-32(24-28-34)30-40(37-17-9-3-10-18-37)38-19-11-4-12-20-38/h1-3,5-11,13-30H,4,12H2/b40-30-
InChIKeyPZUHPTKYXCPUJQ-DFGGBBJBSA-N
XLogP10.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.70
LogP ≤ 510.76
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

1-(2,2-diphenylethenyl)-4-[2-[4-[4-[2-[4-(2,2-diphenylethenyl)phenyl]ethenyl]phenyl]phenyl]ethenyl]benzene
CID 59965271
1-[(Z)-1,2-diphenylethenyl]-4-[4-[(Z)-1,2-diphenylethenyl]phenyl]benzene
CID 173002469
1-(1,2-diphenylethenyl)-4-phenylbenzene
CID 54005685
9,10-bis[4-(2,2-diphenylethenyl)phenyl]anthracene
CID 3380793
1,4-bis[4-[4-(2,2-diphenylethenyl)phenyl]phenyl]benzene;methane;tris(1-phenylprop-1-enylbenzene)
CID 158090471
9,10-bis[4-(2,2-diphenylethenyl)phenyl]anthracene;9-[4-(2,2-diphenylethenyl)phenyl]-10-[10-[4-(2,2-diphenylethenyl)phenyl]anthracen-9-yl]anthracene
CID 158494908
9-[3,5-bis(4-phenylphenyl)phenyl]-10-[4-(2,2-diphenylethenyl)phenyl]anthracene
CID 58814327
1,4-bis[(E)-2-[4-(2,2-diphenylethenyl)phenyl]ethenyl]benzene
CID 20678091
CID 173126547
CID 173126547
[4-[2-[4-[4-(2,2-diphenylethenyl)phenyl]phenyl]-1-phenylethenyl]phenyl]-methylsilane
CID 123788306
1-ethenyl-4-[(E)-2-[4-[4-[(1Z)-3-methyl-2-phenylbuta-1,3-dienyl]phenyl]phenyl]-1-phenylethenyl]benzene
CID 143286377
1-[(E)-1,2-diphenylethenyl]-3-phenylbenzene
CID 121493700

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-cyclohexa-1,5-dien-1-yl-2-phenylethenyl]-4-[4-(2,2-diphenylethenyl)phenyl]benzene?
The IUPAC name of 1-[(E)-2-cyclohexa-1,5-dien-1-yl-2-phenylethenyl]-4-[4-(2,2-diphenylethenyl)phenyl]benzene (CID 140884240) is 1-[(E)-2-cyclohexa-1,5-dien-1-yl-2-phenylethenyl]-4-[4-(2,2-diphenylethenyl)phenyl]benzene.
What is the SMILES notation for 1-[(E)-2-cyclohexa-1,5-dien-1-yl-2-phenylethenyl]-4-[4-(2,2-diphenylethenyl)phenyl]benzene?
The canonical SMILES for 1-[(E)-2-cyclohexa-1,5-dien-1-yl-2-phenylethenyl]-4-[4-(2,2-diphenylethenyl)phenyl]benzene is C1=CC(/C(=C\c2ccc(-c3ccc(C=C(c4ccccc4)c4ccccc4)cc3)cc2)c2ccccc2)=CCC1.
What is the InChIKey of 1-[(E)-2-cyclohexa-1,5-dien-1-yl-2-phenylethenyl]-4-[4-(2,2-diphenylethenyl)phenyl]benzene?
The InChIKey is PZUHPTKYXCPUJQ-DFGGBBJBSA-N. The full InChI is InChI=1S/C40H32/c1-5-13-35(14-6-1)39(36-15-7-2-8-16-36)29-31-21-25-33(26-22-31)34-27-23-32(24-28-34)30-40(37-17-9-3-10-18-37)38-19-11-4-12-20-38/h1-3,5-11,13-30H,4,12H2/b40-30-.
What are the key properties of 1-[(E)-2-cyclohexa-1,5-dien-1-yl-2-phenylethenyl]-4-[4-(2,2-diphenylethenyl)phenyl]benzene?
1-[(E)-2-cyclohexa-1,5-dien-1-yl-2-phenylethenyl]-4-[4-(2,2-diphenylethenyl)phenyl]benzene has a molecular weight of 512.70 g/mol, XLogP of 10.76, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-cyclohexa-1,5-dien-1-yl-2-phenylethenyl]-4-[4-(2,2-diphenylethenyl)phenyl]benzene is sourced from PubChem (CID 140884240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).