10-benzoylanthracene-9-carbonitrile

C22H13NO — CID 71356838

IUPAC10-benzoylanthracene-9-carbonitrile
SMILESN#Cc1c2ccccc2c(C(=O)c2ccccc2)c2ccccc12
InChIInChI=1S/C22H13NO/c23-14-20-16-10-4-6-12-18(16)21(19-13-7-5-11-17(19)20)22(24)15-8-2-1-3-9-15/h1-13H
InChIKeyVNMYBDIVHKGMRS-UHFFFAOYSA-N
MW307.35 g/mol
LogP5.10
Rot. Bonds2

About 10-benzoylanthracene-9-carbonitrile

10-benzoylanthracene-9-carbonitrile (PubChem CID 71356838) has the molecular formula C22H13NO and a molecular weight of 307.35 g/mol. Its IUPAC name is 10-benzoylanthracene-9-carbonitrile.

Molecular Properties

Compound Name10-benzoylanthracene-9-carbonitrile
PubChem CID71356838
Molecular FormulaC22H13NO
Molecular Weight307.35 g/mol
Exact Mass307.10
IUPAC Name10-benzoylanthracene-9-carbonitrile
SMILESN#Cc1c2ccccc2c(C(=O)c2ccccc2)c2ccccc12
InChIInChI=1S/C22H13NO/c23-14-20-16-10-4-6-12-18(16)21(19-13-7-5-11-17(19)20)22(24)15-8-2-1-3-9-15/h1-13H
InChIKeyVNMYBDIVHKGMRS-UHFFFAOYSA-N
XLogP5.10
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.35
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

diphenylmethanone;naphthalene-1,2,3,4-tetracarboxylic acid
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diphenylmethanone
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diphenylmethanone;gold
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bis(diphenylmethanone);dihydrochloride
CID 69107757
cobalt(2+);diphenylmethanone
CID 19033779
disodium;diphenylmethanone
CID 19380838
10-methylanthracene-9-carbonitrile
CID 12617916
10-bromoanthracene-9-carbonitrile
CID 11543731
acetic acid;diphenylmethanone;hydrate
CID 161284686
6,7-dibenzoylnaphthalene-2,3-dicarbonitrile
CID 44556911
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Frequently Asked Questions

What is the IUPAC name of 10-benzoylanthracene-9-carbonitrile?
The IUPAC name of 10-benzoylanthracene-9-carbonitrile (CID 71356838) is 10-benzoylanthracene-9-carbonitrile.
What is the SMILES notation for 10-benzoylanthracene-9-carbonitrile?
The canonical SMILES for 10-benzoylanthracene-9-carbonitrile is N#Cc1c2ccccc2c(C(=O)c2ccccc2)c2ccccc12.
What is the InChIKey of 10-benzoylanthracene-9-carbonitrile?
The InChIKey is VNMYBDIVHKGMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13NO/c23-14-20-16-10-4-6-12-18(16)21(19-13-7-5-11-17(19)20)22(24)15-8-2-1-3-9-15/h1-13H.
What are the key properties of 10-benzoylanthracene-9-carbonitrile?
10-benzoylanthracene-9-carbonitrile has a molecular weight of 307.35 g/mol, XLogP of 5.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-benzoylanthracene-9-carbonitrile is sourced from PubChem (CID 71356838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).