1-[2-(3-bicyclo[4.2.0]octa-1(6),2,4,7-tetraenyl)ethenyl]naphthalene

C20H14 — CID 54574596

IUPAC1-[2-(3-bicyclo[4.2.0]octa-1(6),2,4,7-tetraenyl)ethenyl]naphthalene
SMILESC(=Cc1cccc2ccccc12)c1ccc2c(c1)C=C2
InChIInChI=1S/C20H14/c1-2-7-20-17(4-1)5-3-6-18(20)11-9-15-8-10-16-12-13-19(16)14-15/h1-14H
InChIKeyZZRCVWPFHOQPQB-UHFFFAOYSA-N
MW254.33 g/mol
LogP5.49
Rot. Bonds2

About 1-[2-(3-bicyclo[4.2.0]octa-1(6),2,4,7-tetraenyl)ethenyl]naphthalene

1-[2-(3-bicyclo[4.2.0]octa-1(6),2,4,7-tetraenyl)ethenyl]naphthalene (PubChem CID 54574596) has the molecular formula C20H14 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-[2-(3-bicyclo[4.2.0]octa-1(6),2,4,7-tetraenyl)ethenyl]naphthalene.

Molecular Properties

Compound Name1-[2-(3-bicyclo[4.2.0]octa-1(6),2,4,7-tetraenyl)ethenyl]naphthalene
PubChem CID54574596
Molecular FormulaC20H14
Molecular Weight254.33 g/mol
Exact Mass254.11
IUPAC Name1-[2-(3-bicyclo[4.2.0]octa-1(6),2,4,7-tetraenyl)ethenyl]naphthalene
SMILESC(=Cc1cccc2ccccc12)c1ccc2c(c1)C=C2
InChIInChI=1S/C20H14/c1-2-7-20-17(4-1)5-3-6-18(20)11-9-15-8-10-16-12-13-19(16)14-15/h1-14H
InChIKeyZZRCVWPFHOQPQB-UHFFFAOYSA-N
XLogP5.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.33
LogP ≤ 55.49
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-[(E)-2-[4-[(E)-2-naphthalen-1-ylethenyl]phenyl]ethenyl]naphthalene
CID 139196261
1-[2-[2-methyl-4-(2-naphthalen-1-ylethenyl)phenyl]ethenyl]naphthalene
CID 71388289
1-[2-[2,4,5-tris(2-naphthalen-1-ylethenyl)phenyl]ethenyl]naphthalene
CID 139835020
1-[2-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)ethenyl]naphthalene
CID 54443966
1-[2-[2-(2-phenylethenyl)phenyl]ethenyl]naphthalene
CID 71399192
1-[2-(4-chlorophenyl)ethenyl]naphthalene
CID 85443671
tris[4-[(E)-2-naphthalen-1-ylethenyl]phenyl]phosphane
CID 58942116
4-[(E)-2-naphthalen-1-ylethenyl]pyridine
CID 5475238
9-(2-naphthalen-1-ylethenyl)anthracene
CID 630261
9-[(E)-2-naphthalen-1-ylethenyl]anthracene
CID 139205427
2-methyl-5-[(E)-2-naphthalen-1-ylethenyl]pyridine
CID 6011457
2-naphthalen-1-ylethenamine
CID 69243468

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-bicyclo[4.2.0]octa-1(6),2,4,7-tetraenyl)ethenyl]naphthalene?
The IUPAC name of 1-[2-(3-bicyclo[4.2.0]octa-1(6),2,4,7-tetraenyl)ethenyl]naphthalene (CID 54574596) is 1-[2-(3-bicyclo[4.2.0]octa-1(6),2,4,7-tetraenyl)ethenyl]naphthalene.
What is the SMILES notation for 1-[2-(3-bicyclo[4.2.0]octa-1(6),2,4,7-tetraenyl)ethenyl]naphthalene?
The canonical SMILES for 1-[2-(3-bicyclo[4.2.0]octa-1(6),2,4,7-tetraenyl)ethenyl]naphthalene is C(=Cc1cccc2ccccc12)c1ccc2c(c1)C=C2.
What is the InChIKey of 1-[2-(3-bicyclo[4.2.0]octa-1(6),2,4,7-tetraenyl)ethenyl]naphthalene?
The InChIKey is ZZRCVWPFHOQPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14/c1-2-7-20-17(4-1)5-3-6-18(20)11-9-15-8-10-16-12-13-19(16)14-15/h1-14H.
What are the key properties of 1-[2-(3-bicyclo[4.2.0]octa-1(6),2,4,7-tetraenyl)ethenyl]naphthalene?
1-[2-(3-bicyclo[4.2.0]octa-1(6),2,4,7-tetraenyl)ethenyl]naphthalene has a molecular weight of 254.33 g/mol, XLogP of 5.49, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-bicyclo[4.2.0]octa-1(6),2,4,7-tetraenyl)ethenyl]naphthalene is sourced from PubChem (CID 54574596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).