1,2-di(azulen-1-yl)azulene

C30H20 — CID 91306184

IUPAC1,2-di(azulen-1-yl)azulene
SMILESc1ccc2ccc(-c3cc4cccccc-4c3-c3ccc4cccccc3-4)c-2cc1
InChIInChI=1S/C30H20/c1-4-10-21-16-18-27(24(21)13-7-1)29-20-23-12-6-3-9-15-26(23)30(29)28-19-17-22-11-5-2-8-14-25(22)28/h1-20H
InChIKeyRFVGKWDERUQNLB-UHFFFAOYSA-N
MW380.49 g/mol
LogP8.34
Rot. Bonds2

About 1,2-di(azulen-1-yl)azulene

1,2-di(azulen-1-yl)azulene (PubChem CID 91306184) has the molecular formula C30H20 and a molecular weight of 380.49 g/mol. Its IUPAC name is 1,2-di(azulen-1-yl)azulene.

Molecular Properties

Compound Name1,2-di(azulen-1-yl)azulene
PubChem CID91306184
Molecular FormulaC30H20
Molecular Weight380.49 g/mol
Exact Mass380.16
IUPAC Name1,2-di(azulen-1-yl)azulene
SMILESc1ccc2ccc(-c3cc4cccccc-4c3-c3ccc4cccccc3-4)c-2cc1
InChIInChI=1S/C30H20/c1-4-10-21-16-18-27(24(21)13-7-1)29-20-23-12-6-3-9-15-26(23)30(29)28-19-17-22-11-5-2-8-14-25(22)28/h1-20H
InChIKeyRFVGKWDERUQNLB-UHFFFAOYSA-N
XLogP8.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.49
LogP ≤ 58.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2-di(azulen-1-yl)azulene?
The IUPAC name of 1,2-di(azulen-1-yl)azulene (CID 91306184) is 1,2-di(azulen-1-yl)azulene.
What is the SMILES notation for 1,2-di(azulen-1-yl)azulene?
The canonical SMILES for 1,2-di(azulen-1-yl)azulene is c1ccc2ccc(-c3cc4cccccc-4c3-c3ccc4cccccc3-4)c-2cc1.
What is the InChIKey of 1,2-di(azulen-1-yl)azulene?
The InChIKey is RFVGKWDERUQNLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20/c1-4-10-21-16-18-27(24(21)13-7-1)29-20-23-12-6-3-9-15-26(23)30(29)28-19-17-22-11-5-2-8-14-25(22)28/h1-20H.
What are the key properties of 1,2-di(azulen-1-yl)azulene?
1,2-di(azulen-1-yl)azulene has a molecular weight of 380.49 g/mol, XLogP of 8.34, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-di(azulen-1-yl)azulene is sourced from PubChem (CID 91306184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).