di(azulen-1-yl)methanone

C21H14O — CID 14043869

IUPACdi(azulen-1-yl)methanone
SMILESO=C(c1ccc2cccccc1-2)c1ccc2cccccc1-2
InChIInChI=1S/C21H14O/c22-21(19-13-11-15-7-3-1-5-9-17(15)19)20-14-12-16-8-4-2-6-10-18(16)20/h1-14H
InChIKeyACUIVHNSIWCAFR-UHFFFAOYSA-N
MW282.34 g/mol
LogP5.13
Rot. Bonds2

About di(azulen-1-yl)methanone

di(azulen-1-yl)methanone (PubChem CID 14043869) has the molecular formula C21H14O and a molecular weight of 282.34 g/mol. Its IUPAC name is di(azulen-1-yl)methanone.

Molecular Properties

Compound Namedi(azulen-1-yl)methanone
PubChem CID14043869
Molecular FormulaC21H14O
Molecular Weight282.34 g/mol
Exact Mass282.10
IUPAC Namedi(azulen-1-yl)methanone
SMILESO=C(c1ccc2cccccc1-2)c1ccc2cccccc1-2
InChIInChI=1S/C21H14O/c22-21(19-13-11-15-7-3-1-5-9-17(15)19)20-14-12-16-8-4-2-6-10-18(16)20/h1-14H
InChIKeyACUIVHNSIWCAFR-UHFFFAOYSA-N
XLogP5.13
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.34
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of di(azulen-1-yl)methanone?
The IUPAC name of di(azulen-1-yl)methanone (CID 14043869) is di(azulen-1-yl)methanone.
What is the SMILES notation for di(azulen-1-yl)methanone?
The canonical SMILES for di(azulen-1-yl)methanone is O=C(c1ccc2cccccc1-2)c1ccc2cccccc1-2.
What is the InChIKey of di(azulen-1-yl)methanone?
The InChIKey is ACUIVHNSIWCAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14O/c22-21(19-13-11-15-7-3-1-5-9-17(15)19)20-14-12-16-8-4-2-6-10-18(16)20/h1-14H.
What are the key properties of di(azulen-1-yl)methanone?
di(azulen-1-yl)methanone has a molecular weight of 282.34 g/mol, XLogP of 5.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for di(azulen-1-yl)methanone is sourced from PubChem (CID 14043869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).