2-[2-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)ethenyl]naphthalene

C20H16 — CID 54058053

IUPAC2-[2-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)ethenyl]naphthalene
SMILESC(=Cc1ccc2ccccc2c1)c1ccc2c(c1)CC2
InChIInChI=1S/C20H16/c1-2-4-19-13-15(7-9-17(19)3-1)5-6-16-8-10-18-11-12-20(18)14-16/h1-10,13-14H,11-12H2
InChIKeyLXRFKBRFXLQNBS-UHFFFAOYSA-N
MW256.35 g/mol
LogP5.11
Rot. Bonds2

About 2-[2-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)ethenyl]naphthalene

2-[2-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)ethenyl]naphthalene (PubChem CID 54058053) has the molecular formula C20H16 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[2-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)ethenyl]naphthalene.

Molecular Properties

Compound Name2-[2-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)ethenyl]naphthalene
PubChem CID54058053
Molecular FormulaC20H16
Molecular Weight256.35 g/mol
Exact Mass256.13
IUPAC Name2-[2-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)ethenyl]naphthalene
SMILESC(=Cc1ccc2ccccc2c1)c1ccc2c(c1)CC2
InChIInChI=1S/C20H16/c1-2-4-19-13-15(7-9-17(19)3-1)5-6-16-8-10-18-11-12-20(18)14-16/h1-10,13-14H,11-12H2
InChIKeyLXRFKBRFXLQNBS-UHFFFAOYSA-N
XLogP5.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.35
LogP ≤ 55.11
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

3-[2-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)ethenyl]bicyclo[4.2.0]octa-1(6),2,4-triene
CID 71332157
2-[(E)-2-[4-[(E)-2-naphthalen-2-ylethenyl]phenyl]ethenyl]naphthalene
CID 20801533
1-[2-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)ethenyl]naphthalene
CID 54443966
2-[(Z)-2-anthracen-2-ylethenyl]anthracene
CID 101144533
3-[(1Z,3Z)-4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)buta-1,3-dienyl]bicyclo[4.2.0]octa-1(6),2,4-triene
CID 58696689
2-[2-[4-(2-tetracen-2-ylethenyl)phenyl]ethenyl]tetracene
CID 76589902
2-[(E)-2-(4-tert-butylphenyl)ethenyl]naphthalene
CID 14597022
N-[4-[(E)-2-[4-(dinaphthalen-2-ylamino)phenyl]ethenyl]phenyl]-N-(5,6,7,8-tetrahydronaphthalen-2-yl)naphthalen-2-amine
CID 89065381
9,9-dimethyl-2-[4-[(E)-2-naphthalen-2-ylethenyl]phenyl]-7-(5,6,7,8-tetrahydronaphthalen-2-yl)fluorene
CID 59217196
2-naphthalen-2-ylethenol
CID 67195423
2-(2-naphthalen-2-ylethynyl)-6-[(E)-2-[6-(2-naphthalen-2-ylethynyl)naphthalen-2-yl]ethenyl]naphthalene
CID 59413225
2-[(E)-2-[4-[4-[(E)-2-naphthalen-2-ylethenyl]phenyl]selanylphenyl]ethenyl]naphthalene
CID 59156066

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)ethenyl]naphthalene?
The IUPAC name of 2-[2-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)ethenyl]naphthalene (CID 54058053) is 2-[2-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)ethenyl]naphthalene.
What is the SMILES notation for 2-[2-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)ethenyl]naphthalene?
The canonical SMILES for 2-[2-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)ethenyl]naphthalene is C(=Cc1ccc2ccccc2c1)c1ccc2c(c1)CC2.
What is the InChIKey of 2-[2-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)ethenyl]naphthalene?
The InChIKey is LXRFKBRFXLQNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16/c1-2-4-19-13-15(7-9-17(19)3-1)5-6-16-8-10-18-11-12-20(18)14-16/h1-10,13-14H,11-12H2.
What are the key properties of 2-[2-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)ethenyl]naphthalene?
2-[2-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)ethenyl]naphthalene has a molecular weight of 256.35 g/mol, XLogP of 5.11, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)ethenyl]naphthalene is sourced from PubChem (CID 54058053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).