1,4-bis[(E)-2-[4-(2,2-diphenylethenyl)phenyl]ethenyl]benzene

C50H38 — CID 20678091

IUPAC1,4-bis[(E)-2-[4-(2,2-diphenylethenyl)phenyl]ethenyl]benzene
SMILESC(=C(c1ccccc1)c1ccccc1)c1ccc(/C=C/c2ccc(/C=C/c3ccc(C=C(c4ccccc4)c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C50H38/c1-5-13-45(14-6-1)49(46-15-7-2-8-16-46)37-43-33-29-41(30-34-43)27-25-39-21-23-40(24-22-39)26-28-42-31-35-44(36-32-42)38-50(47-17-9-3-10-18-47)48-19-11-4-12-20-48/h1-38H/b27-25+,28-26+
InChIKeySHMNORCKIVKRNW-NBHCHVEOSA-N
MW638.85 g/mol
LogP13.21
Rot. Bonds10

About 1,4-bis[(E)-2-[4-(2,2-diphenylethenyl)phenyl]ethenyl]benzene

1,4-bis[(E)-2-[4-(2,2-diphenylethenyl)phenyl]ethenyl]benzene (PubChem CID 20678091) has the molecular formula C50H38 and a molecular weight of 638.85 g/mol. Its IUPAC name is 1,4-bis[(E)-2-[4-(2,2-diphenylethenyl)phenyl]ethenyl]benzene.

Molecular Properties

Compound Name1,4-bis[(E)-2-[4-(2,2-diphenylethenyl)phenyl]ethenyl]benzene
PubChem CID20678091
Molecular FormulaC50H38
Molecular Weight638.85 g/mol
Exact Mass638.30
IUPAC Name1,4-bis[(E)-2-[4-(2,2-diphenylethenyl)phenyl]ethenyl]benzene
SMILESC(=C(c1ccccc1)c1ccccc1)c1ccc(/C=C/c2ccc(/C=C/c3ccc(C=C(c4ccccc4)c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C50H38/c1-5-13-45(14-6-1)49(46-15-7-2-8-16-46)37-43-33-29-41(30-34-43)27-25-39-21-23-40(24-22-39)26-28-42-31-35-44(36-32-42)38-50(47-17-9-3-10-18-47)48-19-11-4-12-20-48/h1-38H/b27-25+,28-26+
InChIKeySHMNORCKIVKRNW-NBHCHVEOSA-N
XLogP13.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.85
LogP ≤ 513.21
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
1,4-bis[(E)-2-[4-(2,2-diphenylethenyl)phenyl]ethenyl]-2,3,5,6-tetramethylbenzene
CID 20678110
CID 173126547
CID 173126547
1,4-bis[(E)-2-[4-(2,2-diphenylethenyl)phenyl]ethenyl]-2,5-dimethylbenzene
CID 20678111
4-[2-[4-[2-[4-[N,4-bis(2,2-diphenylethenyl)anilino]phenyl]ethenyl]phenyl]ethenyl]-N-(2,2-diphenylethenyl)-N-[4-(2,2-diphenylethenyl)phenyl]aniline
CID 76826398
CID 172843956
CID 172843956
1-(2,2-diphenylethenyl)-4-[tris[4-(2,2-diphenylethenyl)phenyl]methyl]benzene
CID 23400804
1-[(Z)-1,2-diphenylethenyl]-4-[4-[(Z)-1,2-diphenylethenyl]phenyl]benzene
CID 173002469
4-(2,2-diphenylethenyl)-N,N-diphenylaniline;4-(2,2-diphenylethenyl)-N-[4-(2,2-diphenylethenyl)phenyl]-N-phenylaniline;N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-4-(2-phenylethenyl)aniline;ethane
CID 158855381
N-[4-(2,2-diphenylethenyl)phenyl]-N-[4-[2-[4-[2-[4-(N-[4-(2,2-diphenylethenyl)phenyl]-4-ethylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-4-ethylaniline
CID 72573965
(E)-3-[4-(2,2-diphenylethenyl)phenyl]-2-hydroxyprop-2-enenitrile
CID 144583765
2-(2,2-diphenylethenyl)-6-[2-[6-(2-naphthalen-2-ylethenyl)naphthalen-2-yl]ethenyl]naphthalene
CID 72565680

Frequently Asked Questions

What is the IUPAC name of 1,4-bis[(E)-2-[4-(2,2-diphenylethenyl)phenyl]ethenyl]benzene?
The IUPAC name of 1,4-bis[(E)-2-[4-(2,2-diphenylethenyl)phenyl]ethenyl]benzene (CID 20678091) is 1,4-bis[(E)-2-[4-(2,2-diphenylethenyl)phenyl]ethenyl]benzene.
What is the SMILES notation for 1,4-bis[(E)-2-[4-(2,2-diphenylethenyl)phenyl]ethenyl]benzene?
The canonical SMILES for 1,4-bis[(E)-2-[4-(2,2-diphenylethenyl)phenyl]ethenyl]benzene is C(=C(c1ccccc1)c1ccccc1)c1ccc(/C=C/c2ccc(/C=C/c3ccc(C=C(c4ccccc4)c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of 1,4-bis[(E)-2-[4-(2,2-diphenylethenyl)phenyl]ethenyl]benzene?
The InChIKey is SHMNORCKIVKRNW-NBHCHVEOSA-N. The full InChI is InChI=1S/C50H38/c1-5-13-45(14-6-1)49(46-15-7-2-8-16-46)37-43-33-29-41(30-34-43)27-25-39-21-23-40(24-22-39)26-28-42-31-35-44(36-32-42)38-50(47-17-9-3-10-18-47)48-19-11-4-12-20-48/h1-38H/b27-25+,28-26+.
What are the key properties of 1,4-bis[(E)-2-[4-(2,2-diphenylethenyl)phenyl]ethenyl]benzene?
1,4-bis[(E)-2-[4-(2,2-diphenylethenyl)phenyl]ethenyl]benzene has a molecular weight of 638.85 g/mol, XLogP of 13.21, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[(E)-2-[4-(2,2-diphenylethenyl)phenyl]ethenyl]benzene is sourced from PubChem (CID 20678091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).