1-[(E)-2-[4-[4-[(E)-2-(3,5-dimethylphenyl)ethenyl]phenyl]phenyl]ethenyl]-3,5-dimethylbenzene

C32H30 — CID 158075827

IUPAC1-[(E)-2-[4-[4-[(E)-2-(3,5-dimethylphenyl)ethenyl]phenyl]phenyl]ethenyl]-3,5-dimethylbenzene
SMILESCc1cc(C)cc(/C=C/c2ccc(-c3ccc(/C=C/c4cc(C)cc(C)c4)cc3)cc2)c1
InChIInChI=1S/C32H30/c1-23-17-24(2)20-29(19-23)7-5-27-9-13-31(14-10-27)32-15-11-28(12-16-32)6-8-30-21-25(3)18-26(4)22-30/h5-22H,1-4H3/b7-5+,8-6+
InChIKeyFIJWZKNXYVHHCK-KQQUZDAGSA-N
MW414.59 g/mol
LogP8.93
Rot. Bonds5

About 1-[(E)-2-[4-[4-[(E)-2-(3,5-dimethylphenyl)ethenyl]phenyl]phenyl]ethenyl]-3,5-dimethylbenzene

1-[(E)-2-[4-[4-[(E)-2-(3,5-dimethylphenyl)ethenyl]phenyl]phenyl]ethenyl]-3,5-dimethylbenzene (PubChem CID 158075827) has the molecular formula C32H30 and a molecular weight of 414.59 g/mol. Its IUPAC name is 1-[(E)-2-[4-[4-[(E)-2-(3,5-dimethylphenyl)ethenyl]phenyl]phenyl]ethenyl]-3,5-dimethylbenzene.

Molecular Properties

Compound Name1-[(E)-2-[4-[4-[(E)-2-(3,5-dimethylphenyl)ethenyl]phenyl]phenyl]ethenyl]-3,5-dimethylbenzene
PubChem CID158075827
Molecular FormulaC32H30
Molecular Weight414.59 g/mol
Exact Mass414.23
IUPAC Name1-[(E)-2-[4-[4-[(E)-2-(3,5-dimethylphenyl)ethenyl]phenyl]phenyl]ethenyl]-3,5-dimethylbenzene
SMILESCc1cc(C)cc(/C=C/c2ccc(-c3ccc(/C=C/c4cc(C)cc(C)c4)cc3)cc2)c1
InChIInChI=1S/C32H30/c1-23-17-24(2)20-29(19-23)7-5-27-9-13-31(14-10-27)32-15-11-28(12-16-32)6-8-30-21-25(3)18-26(4)22-30/h5-22H,1-4H3/b7-5+,8-6+
InChIKeyFIJWZKNXYVHHCK-KQQUZDAGSA-N
XLogP8.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.59
LogP ≤ 58.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-[4-[4-[(E)-2-(3,5-dimethylphenyl)ethenyl]phenyl]phenyl]ethenyl]-3,5-dimethylbenzene?
The IUPAC name of 1-[(E)-2-[4-[4-[(E)-2-(3,5-dimethylphenyl)ethenyl]phenyl]phenyl]ethenyl]-3,5-dimethylbenzene (CID 158075827) is 1-[(E)-2-[4-[4-[(E)-2-(3,5-dimethylphenyl)ethenyl]phenyl]phenyl]ethenyl]-3,5-dimethylbenzene.
What is the SMILES notation for 1-[(E)-2-[4-[4-[(E)-2-(3,5-dimethylphenyl)ethenyl]phenyl]phenyl]ethenyl]-3,5-dimethylbenzene?
The canonical SMILES for 1-[(E)-2-[4-[4-[(E)-2-(3,5-dimethylphenyl)ethenyl]phenyl]phenyl]ethenyl]-3,5-dimethylbenzene is Cc1cc(C)cc(/C=C/c2ccc(-c3ccc(/C=C/c4cc(C)cc(C)c4)cc3)cc2)c1.
What is the InChIKey of 1-[(E)-2-[4-[4-[(E)-2-(3,5-dimethylphenyl)ethenyl]phenyl]phenyl]ethenyl]-3,5-dimethylbenzene?
The InChIKey is FIJWZKNXYVHHCK-KQQUZDAGSA-N. The full InChI is InChI=1S/C32H30/c1-23-17-24(2)20-29(19-23)7-5-27-9-13-31(14-10-27)32-15-11-28(12-16-32)6-8-30-21-25(3)18-26(4)22-30/h5-22H,1-4H3/b7-5+,8-6+.
What are the key properties of 1-[(E)-2-[4-[4-[(E)-2-(3,5-dimethylphenyl)ethenyl]phenyl]phenyl]ethenyl]-3,5-dimethylbenzene?
1-[(E)-2-[4-[4-[(E)-2-(3,5-dimethylphenyl)ethenyl]phenyl]phenyl]ethenyl]-3,5-dimethylbenzene has a molecular weight of 414.59 g/mol, XLogP of 8.93, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-[4-[4-[(E)-2-(3,5-dimethylphenyl)ethenyl]phenyl]phenyl]ethenyl]-3,5-dimethylbenzene is sourced from PubChem (CID 158075827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).