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

C32H30 — CID 6442034

IUPAC2-[(E)-2-[4-[4-[(E)-2-(2,5-dimethylphenyl)ethenyl]phenyl]phenyl]ethenyl]-1,4-dimethylbenzene
SMILESCc1ccc(C)c(/C=C/c2ccc(-c3ccc(/C=C/c4cc(C)ccc4C)cc3)cc2)c1
InChIInChI=1S/C32H30/c1-23-5-7-25(3)31(21-23)19-13-27-9-15-29(16-10-27)30-17-11-28(12-18-30)14-20-32-22-24(2)6-8-26(32)4/h5-22H,1-4H3/b19-13+,20-14+
InChIKeyAMDSCXLLKXHWOJ-IWGRKNQJSA-N
MW414.59 g/mol
LogP8.93
Rot. Bonds5

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

2-[(E)-2-[4-[4-[(E)-2-(2,5-dimethylphenyl)ethenyl]phenyl]phenyl]ethenyl]-1,4-dimethylbenzene (PubChem CID 6442034) has the molecular formula C32H30 and a molecular weight of 414.59 g/mol. Its IUPAC name is 2-[(E)-2-[4-[4-[(E)-2-(2,5-dimethylphenyl)ethenyl]phenyl]phenyl]ethenyl]-1,4-dimethylbenzene.

Molecular Properties

Compound Name2-[(E)-2-[4-[4-[(E)-2-(2,5-dimethylphenyl)ethenyl]phenyl]phenyl]ethenyl]-1,4-dimethylbenzene
PubChem CID6442034
Molecular FormulaC32H30
Molecular Weight414.59 g/mol
Exact Mass414.23
IUPAC Name2-[(E)-2-[4-[4-[(E)-2-(2,5-dimethylphenyl)ethenyl]phenyl]phenyl]ethenyl]-1,4-dimethylbenzene
SMILESCc1ccc(C)c(/C=C/c2ccc(-c3ccc(/C=C/c4cc(C)ccc4C)cc3)cc2)c1
InChIInChI=1S/C32H30/c1-23-5-7-25(3)31(21-23)19-13-27-9-15-29(16-10-27)30-17-11-28(12-18-30)14-20-32-22-24(2)6-8-26(32)4/h5-22H,1-4H3/b19-13+,20-14+
InChIKeyAMDSCXLLKXHWOJ-IWGRKNQJSA-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 2-[(E)-2-[4-[4-[(E)-2-(2,5-dimethylphenyl)ethenyl]phenyl]phenyl]ethenyl]-1,4-dimethylbenzene?
The IUPAC name of 2-[(E)-2-[4-[4-[(E)-2-(2,5-dimethylphenyl)ethenyl]phenyl]phenyl]ethenyl]-1,4-dimethylbenzene (CID 6442034) is 2-[(E)-2-[4-[4-[(E)-2-(2,5-dimethylphenyl)ethenyl]phenyl]phenyl]ethenyl]-1,4-dimethylbenzene.
What is the SMILES notation for 2-[(E)-2-[4-[4-[(E)-2-(2,5-dimethylphenyl)ethenyl]phenyl]phenyl]ethenyl]-1,4-dimethylbenzene?
The canonical SMILES for 2-[(E)-2-[4-[4-[(E)-2-(2,5-dimethylphenyl)ethenyl]phenyl]phenyl]ethenyl]-1,4-dimethylbenzene is Cc1ccc(C)c(/C=C/c2ccc(-c3ccc(/C=C/c4cc(C)ccc4C)cc3)cc2)c1.
What is the InChIKey of 2-[(E)-2-[4-[4-[(E)-2-(2,5-dimethylphenyl)ethenyl]phenyl]phenyl]ethenyl]-1,4-dimethylbenzene?
The InChIKey is AMDSCXLLKXHWOJ-IWGRKNQJSA-N. The full InChI is InChI=1S/C32H30/c1-23-5-7-25(3)31(21-23)19-13-27-9-15-29(16-10-27)30-17-11-28(12-18-30)14-20-32-22-24(2)6-8-26(32)4/h5-22H,1-4H3/b19-13+,20-14+.
What are the key properties of 2-[(E)-2-[4-[4-[(E)-2-(2,5-dimethylphenyl)ethenyl]phenyl]phenyl]ethenyl]-1,4-dimethylbenzene?
2-[(E)-2-[4-[4-[(E)-2-(2,5-dimethylphenyl)ethenyl]phenyl]phenyl]ethenyl]-1,4-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 2-[(E)-2-[4-[4-[(E)-2-(2,5-dimethylphenyl)ethenyl]phenyl]phenyl]ethenyl]-1,4-dimethylbenzene is sourced from PubChem (CID 6442034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).