1-azulen-1-ylazulene

C20H14 — CID 12947896

IUPAC1-azulen-1-ylazulene
SMILESc1ccc2ccc(-c3ccc4cccccc3-4)c-2cc1
InChIInChI=1S/C20H14/c1-3-7-15-11-13-19(17(15)9-5-1)20-14-12-16-8-4-2-6-10-18(16)20/h1-14H
InChIKeyAEULLTJSNVNSEU-UHFFFAOYSA-N
MW254.33 g/mol
LogP5.56
Rot. Bonds1

About 1-azulen-1-ylazulene

1-azulen-1-ylazulene (PubChem CID 12947896) has the molecular formula C20H14 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-azulen-1-ylazulene.

Molecular Properties

Compound Name1-azulen-1-ylazulene
PubChem CID12947896
Molecular FormulaC20H14
Molecular Weight254.33 g/mol
Exact Mass254.11
IUPAC Name1-azulen-1-ylazulene
SMILESc1ccc2ccc(-c3ccc4cccccc3-4)c-2cc1
InChIInChI=1S/C20H14/c1-3-7-15-11-13-19(17(15)9-5-1)20-14-12-16-8-4-2-6-10-18(16)20/h1-14H
InChIKeyAEULLTJSNVNSEU-UHFFFAOYSA-N
XLogP5.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.33
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-azulen-1-ylazulene?
The IUPAC name of 1-azulen-1-ylazulene (CID 12947896) is 1-azulen-1-ylazulene.
What is the SMILES notation for 1-azulen-1-ylazulene?
The canonical SMILES for 1-azulen-1-ylazulene is c1ccc2ccc(-c3ccc4cccccc3-4)c-2cc1.
What is the InChIKey of 1-azulen-1-ylazulene?
The InChIKey is AEULLTJSNVNSEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14/c1-3-7-15-11-13-19(17(15)9-5-1)20-14-12-16-8-4-2-6-10-18(16)20/h1-14H.
What are the key properties of 1-azulen-1-ylazulene?
1-azulen-1-ylazulene has a molecular weight of 254.33 g/mol, XLogP of 5.56, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azulen-1-ylazulene is sourced from PubChem (CID 12947896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).