2-[2-[2-(2-butylphenyl)phenyl]ethenyl]naphthalene

C28H26 — CID 174798899

IUPAC2-[2-[2-(2-butylphenyl)phenyl]ethenyl]naphthalene
SMILESCCCCc1ccccc1-c1ccccc1C=Cc1ccc2ccccc2c1
InChIInChI=1S/C28H26/c1-2-3-10-24-12-6-8-15-27(24)28-16-9-7-13-25(28)20-18-22-17-19-23-11-4-5-14-26(23)21-22/h4-9,11-21H,2-3,10H2,1H3
InChIKeyPINKSKVYHHVCRR-UHFFFAOYSA-N
MW362.52 g/mol
LogP8.02
Rot. Bonds6

About 2-[2-[2-(2-butylphenyl)phenyl]ethenyl]naphthalene

2-[2-[2-(2-butylphenyl)phenyl]ethenyl]naphthalene (PubChem CID 174798899) has the molecular formula C28H26 and a molecular weight of 362.52 g/mol. Its IUPAC name is 2-[2-[2-(2-butylphenyl)phenyl]ethenyl]naphthalene.

Molecular Properties

Compound Name2-[2-[2-(2-butylphenyl)phenyl]ethenyl]naphthalene
PubChem CID174798899
Molecular FormulaC28H26
Molecular Weight362.52 g/mol
Exact Mass362.20
IUPAC Name2-[2-[2-(2-butylphenyl)phenyl]ethenyl]naphthalene
SMILESCCCCc1ccccc1-c1ccccc1C=Cc1ccc2ccccc2c1
InChIInChI=1S/C28H26/c1-2-3-10-24-12-6-8-15-27(24)28-16-9-7-13-25(28)20-18-22-17-19-23-11-4-5-14-26(23)21-22/h4-9,11-21H,2-3,10H2,1H3
InChIKeyPINKSKVYHHVCRR-UHFFFAOYSA-N
XLogP8.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.52
LogP ≤ 58.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-2-[2-[(E)-2-phenylethenyl]phenyl]benzene
CID 141453206
1-butyl-2-[2-[(E)-2-(3-chlorophenyl)ethenyl]phenyl]benzene
CID 141453194
2-(2-butylphenyl)naphthalene
CID 58626566
5-[2-[2-[(E)-2-phenylethenyl]phenyl]phenyl]pentan-2-one
CID 141453211
2-[(E)-2-butylsulfanylethenyl]naphthalene
CID 163215654
2-[(E)-docos-1-enyl]naphthalene
CID 101307759
2-[(E)-dodec-1-enyl]naphthalene
CID 101304399
2-[(E)-2-[4-[(E)-2-naphthalen-2-ylethenyl]phenyl]ethenyl]naphthalene
CID 20801533
2-(2-butylphenyl)-1-[2-(2-butylphenyl)naphthalen-1-yl]oxynaphthalene
CID 67797892
2-[(Z)-2-butyltellanylethenyl]naphthalene
CID 11078257
1-nonyl-2-(2-phenylethenyl)benzene
CID 91593587
2-[(Z)-2-anthracen-2-ylethenyl]anthracene
CID 101144533

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-butylphenyl)phenyl]ethenyl]naphthalene?
The IUPAC name of 2-[2-[2-(2-butylphenyl)phenyl]ethenyl]naphthalene (CID 174798899) is 2-[2-[2-(2-butylphenyl)phenyl]ethenyl]naphthalene.
What is the SMILES notation for 2-[2-[2-(2-butylphenyl)phenyl]ethenyl]naphthalene?
The canonical SMILES for 2-[2-[2-(2-butylphenyl)phenyl]ethenyl]naphthalene is CCCCc1ccccc1-c1ccccc1C=Cc1ccc2ccccc2c1.
What is the InChIKey of 2-[2-[2-(2-butylphenyl)phenyl]ethenyl]naphthalene?
The InChIKey is PINKSKVYHHVCRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26/c1-2-3-10-24-12-6-8-15-27(24)28-16-9-7-13-25(28)20-18-22-17-19-23-11-4-5-14-26(23)21-22/h4-9,11-21H,2-3,10H2,1H3.
What are the key properties of 2-[2-[2-(2-butylphenyl)phenyl]ethenyl]naphthalene?
2-[2-[2-(2-butylphenyl)phenyl]ethenyl]naphthalene has a molecular weight of 362.52 g/mol, XLogP of 8.02, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-butylphenyl)phenyl]ethenyl]naphthalene is sourced from PubChem (CID 174798899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).