phenyl-(2-phenylbenzotriazol-4-yl)methanone

C19H13N3O — CID 122215925

IUPACphenyl-(2-phenylbenzotriazol-4-yl)methanone
SMILESO=C(c1ccccc1)c1cccc2nn(-c3ccccc3)nc12
InChIInChI=1S/C19H13N3O/c23-19(14-8-3-1-4-9-14)16-12-7-13-17-18(16)21-22(20-17)15-10-5-2-6-11-15/h1-13H
InChIKeyNULLLTACZQDUJB-UHFFFAOYSA-N
MW299.33 g/mol
LogP3.65
Rot. Bonds3

About phenyl-(2-phenylbenzotriazol-4-yl)methanone

phenyl-(2-phenylbenzotriazol-4-yl)methanone (PubChem CID 122215925) has the molecular formula C19H13N3O and a molecular weight of 299.33 g/mol. Its IUPAC name is phenyl-(2-phenylbenzotriazol-4-yl)methanone.

Molecular Properties

Compound Namephenyl-(2-phenylbenzotriazol-4-yl)methanone
PubChem CID122215925
Molecular FormulaC19H13N3O
Molecular Weight299.33 g/mol
Exact Mass299.11
IUPAC Namephenyl-(2-phenylbenzotriazol-4-yl)methanone
SMILESO=C(c1ccccc1)c1cccc2nn(-c3ccccc3)nc12
InChIInChI=1S/C19H13N3O/c23-19(14-8-3-1-4-9-14)16-12-7-13-17-18(16)21-22(20-17)15-10-5-2-6-11-15/h1-13H
InChIKeyNULLLTACZQDUJB-UHFFFAOYSA-N
XLogP3.65
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;methanol;bis(2-phenylbenzotriazole)
CID 162119776
(5-amino-2-phenyltriazol-4-yl)-phenylmethanone
CID 174808968
(2,5-diphenyltriazol-4-yl)-phenylmethanone
CID 13297593
methyl 7-chloro-2-phenyltriazolo[4,5-f]quinoline-9-carboxylate
CID 88850316
2-bromo-N-(2-phenylbenzotriazol-5-yl)benzamide
CID 17219663
N-(2-phenylbenzotriazol-5-yl)naphthalene-1-carboxamide
CID 3116204
2-(2-benzoylphenyl)acetyl chloride
CID 139777615
(6-benzoyl-3-imino-2-phenylpyridazin-4-yl)-phenylmethanone
CID 633210
4-(benzotriazol-2-yl)phenol
CID 164896201
2-benzoylbenzoic acid;hydrofluoride
CID 70485904
6-amino-5-benzoyl-1-phenylpyrimidin-2-one
CID 23794289
4-bromo-N-(2-phenylbenzotriazol-5-yl)benzamide
CID 3116199

Frequently Asked Questions

What is the IUPAC name of phenyl-(2-phenylbenzotriazol-4-yl)methanone?
The IUPAC name of phenyl-(2-phenylbenzotriazol-4-yl)methanone (CID 122215925) is phenyl-(2-phenylbenzotriazol-4-yl)methanone.
What is the SMILES notation for phenyl-(2-phenylbenzotriazol-4-yl)methanone?
The canonical SMILES for phenyl-(2-phenylbenzotriazol-4-yl)methanone is O=C(c1ccccc1)c1cccc2nn(-c3ccccc3)nc12.
What is the InChIKey of phenyl-(2-phenylbenzotriazol-4-yl)methanone?
The InChIKey is NULLLTACZQDUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O/c23-19(14-8-3-1-4-9-14)16-12-7-13-17-18(16)21-22(20-17)15-10-5-2-6-11-15/h1-13H.
What are the key properties of phenyl-(2-phenylbenzotriazol-4-yl)methanone?
phenyl-(2-phenylbenzotriazol-4-yl)methanone has a molecular weight of 299.33 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(2-phenylbenzotriazol-4-yl)methanone is sourced from PubChem (CID 122215925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).