2-azulen-2-ylazulene

C20H14 — CID 12947906

IUPAC2-azulen-2-ylazulene
SMILESc1ccc2cc(-c3cc4cccccc-4c3)cc-2cc1
InChIInChI=1S/C20H14/c1-3-7-15-11-19(12-16(15)8-4-1)20-13-17-9-5-2-6-10-18(17)14-20/h1-14H
InChIKeyLJQDJMVXYRSZDZ-UHFFFAOYSA-N
MW254.33 g/mol
LogP5.56
Rot. Bonds1

About 2-azulen-2-ylazulene

2-azulen-2-ylazulene (PubChem CID 12947906) has the molecular formula C20H14 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-azulen-2-ylazulene.

Molecular Properties

Compound Name2-azulen-2-ylazulene
PubChem CID12947906
Molecular FormulaC20H14
Molecular Weight254.33 g/mol
Exact Mass254.11
IUPAC Name2-azulen-2-ylazulene
SMILESc1ccc2cc(-c3cc4cccccc-4c3)cc-2cc1
InChIInChI=1S/C20H14/c1-3-7-15-11-19(12-16(15)8-4-1)20-13-17-9-5-2-6-10-18(17)14-20/h1-14H
InChIKeyLJQDJMVXYRSZDZ-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 2-azulen-2-ylazulene?
The IUPAC name of 2-azulen-2-ylazulene (CID 12947906) is 2-azulen-2-ylazulene.
What is the SMILES notation for 2-azulen-2-ylazulene?
The canonical SMILES for 2-azulen-2-ylazulene is c1ccc2cc(-c3cc4cccccc-4c3)cc-2cc1.
What is the InChIKey of 2-azulen-2-ylazulene?
The InChIKey is LJQDJMVXYRSZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14/c1-3-7-15-11-19(12-16(15)8-4-1)20-13-17-9-5-2-6-10-18(17)14-20/h1-14H.
What are the key properties of 2-azulen-2-ylazulene?
2-azulen-2-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 2-azulen-2-ylazulene is sourced from PubChem (CID 12947906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).