1,3-diphenylindazole-4,7-dione

C19H12N2O2 — CID 878805

IUPAC1,3-diphenylindazole-4,7-dione
SMILESO=C1C=CC(=O)c2c1c(-c1ccccc1)nn2-c1ccccc1
InChIInChI=1S/C19H12N2O2/c22-15-11-12-16(23)19-17(15)18(13-7-3-1-4-8-13)20-21(19)14-9-5-2-6-10-14/h1-12H
InChIKeyFKXUWTPIPBYJGP-UHFFFAOYSA-N
MW300.32 g/mol
LogP3.47
Rot. Bonds2

About 1,3-diphenylindazole-4,7-dione

1,3-diphenylindazole-4,7-dione (PubChem CID 878805) has the molecular formula C19H12N2O2 and a molecular weight of 300.32 g/mol. Its IUPAC name is 1,3-diphenylindazole-4,7-dione.

Molecular Properties

Compound Name1,3-diphenylindazole-4,7-dione
PubChem CID878805
Molecular FormulaC19H12N2O2
Molecular Weight300.32 g/mol
Exact Mass300.09
IUPAC Name1,3-diphenylindazole-4,7-dione
SMILESO=C1C=CC(=O)c2c1c(-c1ccccc1)nn2-c1ccccc1
InChIInChI=1S/C19H12N2O2/c22-15-11-12-16(23)19-17(15)18(13-7-3-1-4-8-13)20-21(19)14-9-5-2-6-10-14/h1-12H
InChIKeyFKXUWTPIPBYJGP-UHFFFAOYSA-N
XLogP3.47
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Related Compounds

1-[2-(3-Ethylindazol-2-yl)phenyl]propane-1,2-dione
CID 2054264
(E)-3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-1-phenylprop-2-en-1-one
CID 6048412
4-benzoyl-1-phenyl-1H-pyrazole-5-carbonitrile
CID 11630444
3-benzoyl-1-phenyl-1H-pyrazole-4-carbonitrile
CID 851569
1-[4-(4-methylbenzoyl)-1-phenyl-1H-pyrazol-3-yl]ethanone
CID 1214550
(3-benzoyl-1-phenyl-1H-pyrazol-4-yl)(3-bromophenyl)methanone
CID 1214673
1-Benzyl-1-methyl-4-[3-(5-methyl-1-phenyl-1H-pyrazol-3-yl)-3-oxo-propyl]-piperidinium
CID 10001179
N-(3-acetylphenyl)-3-methyl-1-phenyl-1H-pyrazole-5-carboxamide
CID 20861290
1-[4-Benzoyl-1-(4-methylphenyl)pyrazol-3-yl]ethanone
CID 45277413
1-[4-[4-Benzoyl-1-(4-methylphenyl)pyrazole-3-carbonyl]-1-phenylpyrazol-3-yl]ethanone
CID 45277743
1-(4-benzoyl-1-phenyl-1H-pyrazol-3-yl)ethanone
CID 45917950
N''-benzoyl-2,5-diphenyl-3-pyrazolecarbohydrazide
CID 4883406

Frequently Asked Questions

What is the IUPAC name of 1,3-diphenylindazole-4,7-dione?
The IUPAC name of 1,3-diphenylindazole-4,7-dione (CID 878805) is 1,3-diphenylindazole-4,7-dione.
What is the SMILES notation for 1,3-diphenylindazole-4,7-dione?
The canonical SMILES for 1,3-diphenylindazole-4,7-dione is O=C1C=CC(=O)c2c1c(-c1ccccc1)nn2-c1ccccc1.
What is the InChIKey of 1,3-diphenylindazole-4,7-dione?
The InChIKey is FKXUWTPIPBYJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N2O2/c22-15-11-12-16(23)19-17(15)18(13-7-3-1-4-8-13)20-21(19)14-9-5-2-6-10-14/h1-12H.
What are the key properties of 1,3-diphenylindazole-4,7-dione?
1,3-diphenylindazole-4,7-dione has a molecular weight of 300.32 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diphenylindazole-4,7-dione is sourced from PubChem (CID 878805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).