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

C26H26 — CID 71374373

IUPAC2-[2-[4-[2-(2,5-dimethylphenyl)ethenyl]phenyl]ethenyl]-1,4-dimethylbenzene
SMILESCc1ccc(C)c(C=Cc2ccc(C=Cc3cc(C)ccc3C)cc2)c1
InChIInChI=1S/C26H26/c1-19-5-7-21(3)25(17-19)15-13-23-9-11-24(12-10-23)14-16-26-18-20(2)6-8-22(26)4/h5-18H,1-4H3
InChIKeyCTFRTQUXFOLBCY-UHFFFAOYSA-N
MW338.49 g/mol
LogP7.26
Rot. Bonds4

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

2-[2-[4-[2-(2,5-dimethylphenyl)ethenyl]phenyl]ethenyl]-1,4-dimethylbenzene (PubChem CID 71374373) has the molecular formula C26H26 and a molecular weight of 338.49 g/mol. Its IUPAC name is 2-[2-[4-[2-(2,5-dimethylphenyl)ethenyl]phenyl]ethenyl]-1,4-dimethylbenzene.

Molecular Properties

Compound Name2-[2-[4-[2-(2,5-dimethylphenyl)ethenyl]phenyl]ethenyl]-1,4-dimethylbenzene
PubChem CID71374373
Molecular FormulaC26H26
Molecular Weight338.49 g/mol
Exact Mass338.20
IUPAC Name2-[2-[4-[2-(2,5-dimethylphenyl)ethenyl]phenyl]ethenyl]-1,4-dimethylbenzene
SMILESCc1ccc(C)c(C=Cc2ccc(C=Cc3cc(C)ccc3C)cc2)c1
InChIInChI=1S/C26H26/c1-19-5-7-21(3)25(17-19)15-13-23-9-11-24(12-10-23)14-16-26-18-20(2)6-8-22(26)4/h5-18H,1-4H3
InChIKeyCTFRTQUXFOLBCY-UHFFFAOYSA-N
XLogP7.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.49
LogP ≤ 57.26
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 2-[2-[4-[2-(2,5-dimethylphenyl)ethenyl]phenyl]ethenyl]-1,4-dimethylbenzene?
The IUPAC name of 2-[2-[4-[2-(2,5-dimethylphenyl)ethenyl]phenyl]ethenyl]-1,4-dimethylbenzene (CID 71374373) is 2-[2-[4-[2-(2,5-dimethylphenyl)ethenyl]phenyl]ethenyl]-1,4-dimethylbenzene.
What is the SMILES notation for 2-[2-[4-[2-(2,5-dimethylphenyl)ethenyl]phenyl]ethenyl]-1,4-dimethylbenzene?
The canonical SMILES for 2-[2-[4-[2-(2,5-dimethylphenyl)ethenyl]phenyl]ethenyl]-1,4-dimethylbenzene is Cc1ccc(C)c(C=Cc2ccc(C=Cc3cc(C)ccc3C)cc2)c1.
What is the InChIKey of 2-[2-[4-[2-(2,5-dimethylphenyl)ethenyl]phenyl]ethenyl]-1,4-dimethylbenzene?
The InChIKey is CTFRTQUXFOLBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26/c1-19-5-7-21(3)25(17-19)15-13-23-9-11-24(12-10-23)14-16-26-18-20(2)6-8-22(26)4/h5-18H,1-4H3.
What are the key properties of 2-[2-[4-[2-(2,5-dimethylphenyl)ethenyl]phenyl]ethenyl]-1,4-dimethylbenzene?
2-[2-[4-[2-(2,5-dimethylphenyl)ethenyl]phenyl]ethenyl]-1,4-dimethylbenzene has a molecular weight of 338.49 g/mol, XLogP of 7.26, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[2-(2,5-dimethylphenyl)ethenyl]phenyl]ethenyl]-1,4-dimethylbenzene is sourced from PubChem (CID 71374373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).