2,3-bis[(E)-2-(3,4,5-trimethylphenyl)ethenyl]naphthalene

C32H32 — CID 21365152

IUPAC2,3-bis[(E)-2-(3,4,5-trimethylphenyl)ethenyl]naphthalene
SMILESCc1cc(/C=C/c2cc3ccccc3cc2/C=C/c2cc(C)c(C)c(C)c2)cc(C)c1C
InChIInChI=1S/C32H32/c1-21-15-27(16-22(2)25(21)5)11-13-31-19-29-9-7-8-10-30(29)20-32(31)14-12-28-17-23(3)26(6)24(4)18-28/h7-20H,1-6H3/b13-11+,14-12+
InChIKeyYBGSDBKTOLJCDN-PHEQNACWSA-N
MW416.61 g/mol
LogP9.03
Rot. Bonds4

About 2,3-bis[(E)-2-(3,4,5-trimethylphenyl)ethenyl]naphthalene

2,3-bis[(E)-2-(3,4,5-trimethylphenyl)ethenyl]naphthalene (PubChem CID 21365152) has the molecular formula C32H32 and a molecular weight of 416.61 g/mol. Its IUPAC name is 2,3-bis[(E)-2-(3,4,5-trimethylphenyl)ethenyl]naphthalene.

Molecular Properties

Compound Name2,3-bis[(E)-2-(3,4,5-trimethylphenyl)ethenyl]naphthalene
PubChem CID21365152
Molecular FormulaC32H32
Molecular Weight416.61 g/mol
Exact Mass416.25
IUPAC Name2,3-bis[(E)-2-(3,4,5-trimethylphenyl)ethenyl]naphthalene
SMILESCc1cc(/C=C/c2cc3ccccc3cc2/C=C/c2cc(C)c(C)c(C)c2)cc(C)c1C
InChIInChI=1S/C32H32/c1-21-15-27(16-22(2)25(21)5)11-13-31-19-29-9-7-8-10-30(29)20-32(31)14-12-28-17-23(3)26(6)24(4)18-28/h7-20H,1-6H3/b13-11+,14-12+
InChIKeyYBGSDBKTOLJCDN-PHEQNACWSA-N
XLogP9.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.61
LogP ≤ 59.03
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 2,3-bis[(E)-2-(3,4,5-trimethylphenyl)ethenyl]naphthalene?
The IUPAC name of 2,3-bis[(E)-2-(3,4,5-trimethylphenyl)ethenyl]naphthalene (CID 21365152) is 2,3-bis[(E)-2-(3,4,5-trimethylphenyl)ethenyl]naphthalene.
What is the SMILES notation for 2,3-bis[(E)-2-(3,4,5-trimethylphenyl)ethenyl]naphthalene?
The canonical SMILES for 2,3-bis[(E)-2-(3,4,5-trimethylphenyl)ethenyl]naphthalene is Cc1cc(/C=C/c2cc3ccccc3cc2/C=C/c2cc(C)c(C)c(C)c2)cc(C)c1C.
What is the InChIKey of 2,3-bis[(E)-2-(3,4,5-trimethylphenyl)ethenyl]naphthalene?
The InChIKey is YBGSDBKTOLJCDN-PHEQNACWSA-N. The full InChI is InChI=1S/C32H32/c1-21-15-27(16-22(2)25(21)5)11-13-31-19-29-9-7-8-10-30(29)20-32(31)14-12-28-17-23(3)26(6)24(4)18-28/h7-20H,1-6H3/b13-11+,14-12+.
What are the key properties of 2,3-bis[(E)-2-(3,4,5-trimethylphenyl)ethenyl]naphthalene?
2,3-bis[(E)-2-(3,4,5-trimethylphenyl)ethenyl]naphthalene has a molecular weight of 416.61 g/mol, XLogP of 9.03, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis[(E)-2-(3,4,5-trimethylphenyl)ethenyl]naphthalene is sourced from PubChem (CID 21365152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).