1-(1-azulen-1-ylethenyl)azulene

C22H16 — CID 21389906

IUPAC1-(1-azulen-1-ylethenyl)azulene
SMILESC=C(c1ccc2cccccc1-2)c1ccc2cccccc1-2
InChIInChI=1S/C22H16/c1-16(19-14-12-17-8-4-2-6-10-21(17)19)20-15-13-18-9-5-3-7-11-22(18)20/h2-15H,1H2
InChIKeyIYJCTDWIPKQAEP-UHFFFAOYSA-N
MW280.37 g/mol
LogP5.96
Rot. Bonds2

About 1-(1-azulen-1-ylethenyl)azulene

1-(1-azulen-1-ylethenyl)azulene (PubChem CID 21389906) has the molecular formula C22H16 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-(1-azulen-1-ylethenyl)azulene.

Molecular Properties

Compound Name1-(1-azulen-1-ylethenyl)azulene
PubChem CID21389906
Molecular FormulaC22H16
Molecular Weight280.37 g/mol
Exact Mass280.13
IUPAC Name1-(1-azulen-1-ylethenyl)azulene
SMILESC=C(c1ccc2cccccc1-2)c1ccc2cccccc1-2
InChIInChI=1S/C22H16/c1-16(19-14-12-17-8-4-2-6-10-21(17)19)20-15-13-18-9-5-3-7-11-22(18)20/h2-15H,1H2
InChIKeyIYJCTDWIPKQAEP-UHFFFAOYSA-N
XLogP5.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.37
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(1-azulen-1-ylethenyl)azulene?
The IUPAC name of 1-(1-azulen-1-ylethenyl)azulene (CID 21389906) is 1-(1-azulen-1-ylethenyl)azulene.
What is the SMILES notation for 1-(1-azulen-1-ylethenyl)azulene?
The canonical SMILES for 1-(1-azulen-1-ylethenyl)azulene is C=C(c1ccc2cccccc1-2)c1ccc2cccccc1-2.
What is the InChIKey of 1-(1-azulen-1-ylethenyl)azulene?
The InChIKey is IYJCTDWIPKQAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16/c1-16(19-14-12-17-8-4-2-6-10-21(17)19)20-15-13-18-9-5-3-7-11-22(18)20/h2-15H,1H2.
What are the key properties of 1-(1-azulen-1-ylethenyl)azulene?
1-(1-azulen-1-ylethenyl)azulene has a molecular weight of 280.37 g/mol, XLogP of 5.96, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-azulen-1-ylethenyl)azulene is sourced from PubChem (CID 21389906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).