6-azulen-6-ylazulene

C20H14 — CID 620314

IUPAC6-azulen-6-ylazulene
SMILESc1cc2ccc(-c3ccc4cccc-4cc3)ccc-2c1
InChIInChI=1S/C20H14/c1-3-15-7-11-19(12-8-16(15)4-1)20-13-9-17-5-2-6-18(17)10-14-20/h1-14H
InChIKeyZWPFTBLJFIDKRO-UHFFFAOYSA-N
MW254.33 g/mol
LogP5.56
Rot. Bonds1

About 6-azulen-6-ylazulene

6-azulen-6-ylazulene (PubChem CID 620314) has the molecular formula C20H14 and a molecular weight of 254.33 g/mol. Its IUPAC name is 6-azulen-6-ylazulene.

Molecular Properties

Compound Name6-azulen-6-ylazulene
PubChem CID620314
Molecular FormulaC20H14
Molecular Weight254.33 g/mol
Exact Mass254.11
IUPAC Name6-azulen-6-ylazulene
SMILESc1cc2ccc(-c3ccc4cccc-4cc3)ccc-2c1
InChIInChI=1S/C20H14/c1-3-15-7-11-19(12-8-16(15)4-1)20-13-9-17-5-2-6-18(17)10-14-20/h1-14H
InChIKeyZWPFTBLJFIDKRO-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 6-azulen-6-ylazulene?
The IUPAC name of 6-azulen-6-ylazulene (CID 620314) is 6-azulen-6-ylazulene.
What is the SMILES notation for 6-azulen-6-ylazulene?
The canonical SMILES for 6-azulen-6-ylazulene is c1cc2ccc(-c3ccc4cccc-4cc3)ccc-2c1.
What is the InChIKey of 6-azulen-6-ylazulene?
The InChIKey is ZWPFTBLJFIDKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14/c1-3-15-7-11-19(12-8-16(15)4-1)20-13-9-17-5-2-6-18(17)10-14-20/h1-14H.
What are the key properties of 6-azulen-6-ylazulene?
6-azulen-6-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 6-azulen-6-ylazulene is sourced from PubChem (CID 620314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).