(2-benzoyl-5-phenyl-1,2,5-triazepin-1-yl)-phenylmethanone

C24H19N3O2 — CID 21277236

IUPAC(2-benzoyl-5-phenyl-1,2,5-triazepin-1-yl)-phenylmethanone
SMILESO=C(c1ccccc1)n1ccn(-c2ccccc2)ccn1C(=O)c1ccccc1
InChIInChI=1S/C24H19N3O2/c28-23(20-10-4-1-5-11-20)26-18-16-25(22-14-8-3-9-15-22)17-19-27(26)24(29)21-12-6-2-7-13-21/h1-19H
InChIKeyFEPPGLXRFLDKAE-UHFFFAOYSA-N
MW381.44 g/mol
LogP4.58
Rot. Bonds3

About (2-benzoyl-5-phenyl-1,2,5-triazepin-1-yl)-phenylmethanone

(2-benzoyl-5-phenyl-1,2,5-triazepin-1-yl)-phenylmethanone (PubChem CID 21277236) has the molecular formula C24H19N3O2 and a molecular weight of 381.44 g/mol. Its IUPAC name is (2-benzoyl-5-phenyl-1,2,5-triazepin-1-yl)-phenylmethanone.

Molecular Properties

Compound Name(2-benzoyl-5-phenyl-1,2,5-triazepin-1-yl)-phenylmethanone
PubChem CID21277236
Molecular FormulaC24H19N3O2
Molecular Weight381.44 g/mol
Exact Mass381.15
IUPAC Name(2-benzoyl-5-phenyl-1,2,5-triazepin-1-yl)-phenylmethanone
SMILESO=C(c1ccccc1)n1ccn(-c2ccccc2)ccn1C(=O)c1ccccc1
InChIInChI=1S/C24H19N3O2/c28-23(20-10-4-1-5-11-20)26-18-16-25(22-14-8-3-9-15-22)17-19-27(26)24(29)21-12-6-2-7-13-21/h1-19H
InChIKeyFEPPGLXRFLDKAE-UHFFFAOYSA-N
XLogP4.58
TPSA48.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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phenyl-(3-phenyl-2-sulfanylideneimidazol-1-yl)methanone
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(6,9-dibenzoyl-3,6,9-triazatetracyclo[6.1.0.02,4.05,7]nonan-3-yl)-phenylmethanone
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bis(1,2-diphenylethane-1,2-dione);hydrogen peroxide
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pyrrolidin-1-yl-(4-pyrrol-1-ylphenyl)methanone
CID 3728001
1-phenylpyrrole-3,4-dicarboxylate
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CID 15892540
piperidin-1-yl-(4-pyrrol-1-ylphenyl)methanone
CID 1472874
[3-(benzenesulfonyl)-8-azabicyclo[3.2.1]octan-8-yl]-(4-pyrrol-1-ylphenyl)methanone
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Frequently Asked Questions

What is the IUPAC name of (2-benzoyl-5-phenyl-1,2,5-triazepin-1-yl)-phenylmethanone?
The IUPAC name of (2-benzoyl-5-phenyl-1,2,5-triazepin-1-yl)-phenylmethanone (CID 21277236) is (2-benzoyl-5-phenyl-1,2,5-triazepin-1-yl)-phenylmethanone.
What is the SMILES notation for (2-benzoyl-5-phenyl-1,2,5-triazepin-1-yl)-phenylmethanone?
The canonical SMILES for (2-benzoyl-5-phenyl-1,2,5-triazepin-1-yl)-phenylmethanone is O=C(c1ccccc1)n1ccn(-c2ccccc2)ccn1C(=O)c1ccccc1.
What is the InChIKey of (2-benzoyl-5-phenyl-1,2,5-triazepin-1-yl)-phenylmethanone?
The InChIKey is FEPPGLXRFLDKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O2/c28-23(20-10-4-1-5-11-20)26-18-16-25(22-14-8-3-9-15-22)17-19-27(26)24(29)21-12-6-2-7-13-21/h1-19H.
What are the key properties of (2-benzoyl-5-phenyl-1,2,5-triazepin-1-yl)-phenylmethanone?
(2-benzoyl-5-phenyl-1,2,5-triazepin-1-yl)-phenylmethanone has a molecular weight of 381.44 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzoyl-5-phenyl-1,2,5-triazepin-1-yl)-phenylmethanone is sourced from PubChem (CID 21277236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).