4-azulen-4-ylazulene

C20H14 — CID 620114

IUPAC4-azulen-4-ylazulene
SMILESc1ccc(-c2ccccc3cccc2-3)c2cccc-2c1
InChIInChI=1S/C20H14/c1-3-11-19(17-13-5-9-15(17)7-1)20-12-4-2-8-16-10-6-14-18(16)20/h1-14H
InChIKeyPTEPJXBEOSEJCH-UHFFFAOYSA-N
MW254.33 g/mol
LogP5.56
Rot. Bonds1

About 4-azulen-4-ylazulene

4-azulen-4-ylazulene (PubChem CID 620114) has the molecular formula C20H14 and a molecular weight of 254.33 g/mol. Its IUPAC name is 4-azulen-4-ylazulene.

Molecular Properties

Compound Name4-azulen-4-ylazulene
PubChem CID620114
Molecular FormulaC20H14
Molecular Weight254.33 g/mol
Exact Mass254.11
IUPAC Name4-azulen-4-ylazulene
SMILESc1ccc(-c2ccccc3cccc2-3)c2cccc-2c1
InChIInChI=1S/C20H14/c1-3-11-19(17-13-5-9-15(17)7-1)20-12-4-2-8-16-10-6-14-18(16)20/h1-14H
InChIKeyPTEPJXBEOSEJCH-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 4-azulen-4-ylazulene?
The IUPAC name of 4-azulen-4-ylazulene (CID 620114) is 4-azulen-4-ylazulene.
What is the SMILES notation for 4-azulen-4-ylazulene?
The canonical SMILES for 4-azulen-4-ylazulene is c1ccc(-c2ccccc3cccc2-3)c2cccc-2c1.
What is the InChIKey of 4-azulen-4-ylazulene?
The InChIKey is PTEPJXBEOSEJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14/c1-3-11-19(17-13-5-9-15(17)7-1)20-12-4-2-8-16-10-6-14-18(16)20/h1-14H.
What are the key properties of 4-azulen-4-ylazulene?
4-azulen-4-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 4-azulen-4-ylazulene is sourced from PubChem (CID 620114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).