1,4-bis[(E)-2-[4-(2,2-diphenylethenyl)phenyl]ethenyl]-2,5-dimethylbenzene

C52H42 — CID 20678111

IUPAC1,4-bis[(E)-2-[4-(2,2-diphenylethenyl)phenyl]ethenyl]-2,5-dimethylbenzene
SMILESCc1cc(/C=C/c2ccc(C=C(c3ccccc3)c3ccccc3)cc2)c(C)cc1/C=C/c1ccc(C=C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C52H42/c1-39-35-50(34-32-42-25-29-44(30-26-42)38-52(47-19-11-5-12-20-47)48-21-13-6-14-22-48)40(2)36-49(39)33-31-41-23-27-43(28-24-41)37-51(45-15-7-3-8-16-45)46-17-9-4-10-18-46/h3-38H,1-2H3/b33-31+,34-32+
InChIKeyYHVAVLDFQKYFDS-FMWAKIAMSA-N
MW666.91 g/mol
LogP13.82
Rot. Bonds10

About 1,4-bis[(E)-2-[4-(2,2-diphenylethenyl)phenyl]ethenyl]-2,5-dimethylbenzene

1,4-bis[(E)-2-[4-(2,2-diphenylethenyl)phenyl]ethenyl]-2,5-dimethylbenzene (PubChem CID 20678111) has the molecular formula C52H42 and a molecular weight of 666.91 g/mol. Its IUPAC name is 1,4-bis[(E)-2-[4-(2,2-diphenylethenyl)phenyl]ethenyl]-2,5-dimethylbenzene.

Molecular Properties

Compound Name1,4-bis[(E)-2-[4-(2,2-diphenylethenyl)phenyl]ethenyl]-2,5-dimethylbenzene
PubChem CID20678111
Molecular FormulaC52H42
Molecular Weight666.91 g/mol
Exact Mass666.33
IUPAC Name1,4-bis[(E)-2-[4-(2,2-diphenylethenyl)phenyl]ethenyl]-2,5-dimethylbenzene
SMILESCc1cc(/C=C/c2ccc(C=C(c3ccccc3)c3ccccc3)cc2)c(C)cc1/C=C/c1ccc(C=C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C52H42/c1-39-35-50(34-32-42-25-29-44(30-26-42)38-52(47-19-11-5-12-20-47)48-21-13-6-14-22-48)40(2)36-49(39)33-31-41-23-27-43(28-24-41)37-51(45-15-7-3-8-16-45)46-17-9-4-10-18-46/h3-38H,1-2H3/b33-31+,34-32+
InChIKeyYHVAVLDFQKYFDS-FMWAKIAMSA-N
XLogP13.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.91
LogP ≤ 513.82
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

1,4-bis[(E)-2-[4-(2,2-diphenylethenyl)phenyl]ethenyl]benzene
CID 20678091
1,4-bis[(E)-2-[4-(2,2-diphenylethenyl)phenyl]ethenyl]-2,3,5,6-tetramethylbenzene
CID 20678110
N-[4-[2-[4-[2-[4-[N-(3,4-dimethylphenyl)-4-(2,2-diphenylethenyl)anilino]phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-[4-(2,2-diphenylethenyl)phenyl]-3,4-dimethylaniline
CID 72573967
1-(2,2-diphenylethenyl)-4-[2-[4-[4-[2-[4-(2,2-diphenylethenyl)phenyl]ethenyl]phenyl]phenyl]ethenyl]benzene
CID 59965271
1,2-bis[(Z)-2-[4-(2,2-diphenylethenyl)phenyl]ethenyl]-4-(2-methylphenyl)naphthalene
CID 163509385
N-[4-(2,2-diphenylethenyl)phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-methyl-N-[4-[(E)-2-[2-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline;4-methyl-N-[4-[(E)-2-[4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline
CID 159829697
N-[4-[(E)-2-[4-[(E)-2-[4-[N-(2,6-dimethylphenyl)-4-(2,2-diphenylethenyl)anilino]phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-[4-(2,2-diphenylethenyl)phenyl]-2,6-dimethylaniline
CID 131974098
4-(2,2-diphenylethenyl)-1-[4-(2,2-diphenylethenyl)-2-methylphenyl]-2-methylbenzene
CID 20758340
N-[4-[(E)-2-[2-[(E)-2-[4-[N-(2,4-dimethylphenyl)-4-(2,2-diphenylethenyl)anilino]phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-[4-(2,2-diphenylethenyl)phenyl]-2,4-dimethylaniline
CID 59833991
2,3-bis[2-[4-[2-(4-tert-butylphenyl)-2-phenylethenyl]phenyl]ethenyl]naphthalene
CID 59100430
1,8-bis[2-[4-(2,2-diphenylethenyl)-3-methylphenyl]ethenyl]naphthalene
CID 59100453
1-[(E)-1,2-diphenylethenyl]-3,5-dimethylbenzene
CID 102283566

Frequently Asked Questions

What is the IUPAC name of 1,4-bis[(E)-2-[4-(2,2-diphenylethenyl)phenyl]ethenyl]-2,5-dimethylbenzene?
The IUPAC name of 1,4-bis[(E)-2-[4-(2,2-diphenylethenyl)phenyl]ethenyl]-2,5-dimethylbenzene (CID 20678111) is 1,4-bis[(E)-2-[4-(2,2-diphenylethenyl)phenyl]ethenyl]-2,5-dimethylbenzene.
What is the SMILES notation for 1,4-bis[(E)-2-[4-(2,2-diphenylethenyl)phenyl]ethenyl]-2,5-dimethylbenzene?
The canonical SMILES for 1,4-bis[(E)-2-[4-(2,2-diphenylethenyl)phenyl]ethenyl]-2,5-dimethylbenzene is Cc1cc(/C=C/c2ccc(C=C(c3ccccc3)c3ccccc3)cc2)c(C)cc1/C=C/c1ccc(C=C(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1,4-bis[(E)-2-[4-(2,2-diphenylethenyl)phenyl]ethenyl]-2,5-dimethylbenzene?
The InChIKey is YHVAVLDFQKYFDS-FMWAKIAMSA-N. The full InChI is InChI=1S/C52H42/c1-39-35-50(34-32-42-25-29-44(30-26-42)38-52(47-19-11-5-12-20-47)48-21-13-6-14-22-48)40(2)36-49(39)33-31-41-23-27-43(28-24-41)37-51(45-15-7-3-8-16-45)46-17-9-4-10-18-46/h3-38H,1-2H3/b33-31+,34-32+.
What are the key properties of 1,4-bis[(E)-2-[4-(2,2-diphenylethenyl)phenyl]ethenyl]-2,5-dimethylbenzene?
1,4-bis[(E)-2-[4-(2,2-diphenylethenyl)phenyl]ethenyl]-2,5-dimethylbenzene has a molecular weight of 666.91 g/mol, XLogP of 13.82, 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]-2,5-dimethylbenzene is sourced from PubChem (CID 20678111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).