2,3-bis[2-(4-methylphenyl)ethenyl]naphthalene;ethane

C34H42 — CID 90817407

IUPAC2,3-bis[2-(4-methylphenyl)ethenyl]naphthalene;ethane
SMILESCC.CC.CC.Cc1ccc(C=Cc2cc3ccccc3cc2C=Cc2ccc(C)cc2)cc1
InChIInChI=1S/C28H24.3C2H6/c1-21-7-11-23(12-8-21)15-17-27-19-25-5-3-4-6-26(25)20-28(27)18-16-24-13-9-22(2)10-14-24;3*1-2/h3-20H,1-2H3;3*1-2H3
InChIKeyZPKLDEGJQXYCRQ-UHFFFAOYSA-N
MW450.71 g/mol
LogP10.88
Rot. Bonds4

About 2,3-bis[2-(4-methylphenyl)ethenyl]naphthalene;ethane

2,3-bis[2-(4-methylphenyl)ethenyl]naphthalene;ethane (PubChem CID 90817407) has the molecular formula C34H42 and a molecular weight of 450.71 g/mol. Its IUPAC name is 2,3-bis[2-(4-methylphenyl)ethenyl]naphthalene;ethane.

Molecular Properties

Compound Name2,3-bis[2-(4-methylphenyl)ethenyl]naphthalene;ethane
PubChem CID90817407
Molecular FormulaC34H42
Molecular Weight450.71 g/mol
Exact Mass450.33
IUPAC Name2,3-bis[2-(4-methylphenyl)ethenyl]naphthalene;ethane
SMILESCC.CC.CC.Cc1ccc(C=Cc2cc3ccccc3cc2C=Cc2ccc(C)cc2)cc1
InChIInChI=1S/C28H24.3C2H6/c1-21-7-11-23(12-8-21)15-17-27-19-25-5-3-4-6-26(25)20-28(27)18-16-24-13-9-22(2)10-14-24;3*1-2/h3-20H,1-2H3;3*1-2H3
InChIKeyZPKLDEGJQXYCRQ-UHFFFAOYSA-N
XLogP10.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.71
LogP ≤ 510.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2,3-bis[2-(4-methylphenyl)ethenyl]naphthalene;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;1-methyl-4-[2-(4-methylphenyl)ethenyl]benzene
CID 91206086
ethane;1-methyl-4-[2-(4-methylphenyl)ethenyl]benzene
CID 90770914
2,3-bis[(E)-2-(3,4,5-trimethylphenyl)ethenyl]naphthalene
CID 21365152
2,3-bis[(E)-2-[4-[2,2-bis(2,4,6-trimethylphenyl)ethenyl]phenyl]ethenyl]naphthalene
CID 21365156
1,4-bis[(Z)-2-(4-methylphenyl)ethenyl]naphthalene
CID 147563124
methane;1-methyl-4-[(E)-2-phenylethenyl]benzene
CID 144677664
1-fluoro-2-[(E)-2-(4-methylphenyl)ethenyl]benzene
CID 10036098
anthracene;1-ethenyl-4-methylbenzene
CID 174555561
2,3-bis[(Z)-2-[2-[2,2-bis(4-methylphenyl)ethenyl]phenyl]ethenyl]anthracene
CID 163905286
4-methyl-N-(4-methylphenyl)-N-[4-[(E)-2-naphthalen-1-ylethenyl]phenyl]aniline
CID 58933310
2,4-dimethyl-1-[(E)-2-(4-methylphenyl)ethenyl]benzene;methane
CID 161062923
1-[3,5-bis[3-[(E)-2-(4-methylphenyl)ethenyl]azulen-1-yl]phenyl]-3-[(E)-2-(4-methylphenyl)ethenyl]azulene
CID 101271450

Frequently Asked Questions

What is the IUPAC name of 2,3-bis[2-(4-methylphenyl)ethenyl]naphthalene;ethane?
The IUPAC name of 2,3-bis[2-(4-methylphenyl)ethenyl]naphthalene;ethane (CID 90817407) is 2,3-bis[2-(4-methylphenyl)ethenyl]naphthalene;ethane.
What is the SMILES notation for 2,3-bis[2-(4-methylphenyl)ethenyl]naphthalene;ethane?
The canonical SMILES for 2,3-bis[2-(4-methylphenyl)ethenyl]naphthalene;ethane is CC.CC.CC.Cc1ccc(C=Cc2cc3ccccc3cc2C=Cc2ccc(C)cc2)cc1.
What is the InChIKey of 2,3-bis[2-(4-methylphenyl)ethenyl]naphthalene;ethane?
The InChIKey is ZPKLDEGJQXYCRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24.3C2H6/c1-21-7-11-23(12-8-21)15-17-27-19-25-5-3-4-6-26(25)20-28(27)18-16-24-13-9-22(2)10-14-24;3*1-2/h3-20H,1-2H3;3*1-2H3.
What are the key properties of 2,3-bis[2-(4-methylphenyl)ethenyl]naphthalene;ethane?
2,3-bis[2-(4-methylphenyl)ethenyl]naphthalene;ethane has a molecular weight of 450.71 g/mol, XLogP of 10.88, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis[2-(4-methylphenyl)ethenyl]naphthalene;ethane is sourced from PubChem (CID 90817407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).