benzotriazol-1-yl-(3-phenyl-2-phenylmethoxyphenyl)methanone

C26H19N3O2 — CID 25068065

IUPACbenzotriazol-1-yl-(3-phenyl-2-phenylmethoxyphenyl)methanone
SMILESO=C(c1cccc(-c2ccccc2)c1OCc1ccccc1)n1nnc2ccccc21
InChIInChI=1S/C26H19N3O2/c30-26(29-24-17-8-7-16-23(24)27-28-29)22-15-9-14-21(20-12-5-2-6-13-20)25(22)31-18-19-10-3-1-4-11-19/h1-17H,18H2
InChIKeyZESMLNFAZVLGIT-UHFFFAOYSA-N
MW405.46 g/mol
LogP5.37
Rot. Bonds5

About benzotriazol-1-yl-(3-phenyl-2-phenylmethoxyphenyl)methanone

benzotriazol-1-yl-(3-phenyl-2-phenylmethoxyphenyl)methanone (PubChem CID 25068065) has the molecular formula C26H19N3O2 and a molecular weight of 405.46 g/mol. Its IUPAC name is benzotriazol-1-yl-(3-phenyl-2-phenylmethoxyphenyl)methanone.

Molecular Properties

Compound Namebenzotriazol-1-yl-(3-phenyl-2-phenylmethoxyphenyl)methanone
PubChem CID25068065
Molecular FormulaC26H19N3O2
Molecular Weight405.46 g/mol
Exact Mass405.15
IUPAC Namebenzotriazol-1-yl-(3-phenyl-2-phenylmethoxyphenyl)methanone
SMILESO=C(c1cccc(-c2ccccc2)c1OCc1ccccc1)n1nnc2ccccc21
InChIInChI=1S/C26H19N3O2/c30-26(29-24-17-8-7-16-23(24)27-28-29)22-15-9-14-21(20-12-5-2-6-13-20)25(22)31-18-19-10-3-1-4-11-19/h1-17H,18H2
InChIKeyZESMLNFAZVLGIT-UHFFFAOYSA-N
XLogP5.37
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.46
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl N-[(2R)-1-(benzotriazol-1-yl)-1-oxo-3-phenylpropan-2-yl]carbamate
CID 40650676
benzotriazol-1-yl-(2-ethoxyphenyl)methanone
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benzotriazol-1-yl-[2-(2-phenoxyethoxy)phenyl]methanone
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benzotriazol-1-yl-(1,3-diphenylpyrazol-4-yl)methanone
CID 1409855
N-[2-(benzotriazole-1-carbonyl)phenyl]acetamide
CID 3356312
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CID 4952668
1-[1-(2-methylphenyl)ethenyl]-3-phenyl-2-phenylmethoxybenzene
CID 58238534
3-(4-nitrophenyl)-2-phenylmethoxybenzoic acid
CID 70183930
1-ethyl-3-phenyl-2-phenylmethoxybenzene
CID 123935467
ethyl 5-phenyl-3-phenylmethoxyquinoline-2-carboxylate
CID 167491875
benzotriazol-1-yl-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]methanone
CID 1287646
1-benzyl-3-phenyl-2-phenylmethoxybenzene
CID 58238649

Frequently Asked Questions

What is the IUPAC name of benzotriazol-1-yl-(3-phenyl-2-phenylmethoxyphenyl)methanone?
The IUPAC name of benzotriazol-1-yl-(3-phenyl-2-phenylmethoxyphenyl)methanone (CID 25068065) is benzotriazol-1-yl-(3-phenyl-2-phenylmethoxyphenyl)methanone.
What is the SMILES notation for benzotriazol-1-yl-(3-phenyl-2-phenylmethoxyphenyl)methanone?
The canonical SMILES for benzotriazol-1-yl-(3-phenyl-2-phenylmethoxyphenyl)methanone is O=C(c1cccc(-c2ccccc2)c1OCc1ccccc1)n1nnc2ccccc21.
What is the InChIKey of benzotriazol-1-yl-(3-phenyl-2-phenylmethoxyphenyl)methanone?
The InChIKey is ZESMLNFAZVLGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N3O2/c30-26(29-24-17-8-7-16-23(24)27-28-29)22-15-9-14-21(20-12-5-2-6-13-20)25(22)31-18-19-10-3-1-4-11-19/h1-17H,18H2.
What are the key properties of benzotriazol-1-yl-(3-phenyl-2-phenylmethoxyphenyl)methanone?
benzotriazol-1-yl-(3-phenyl-2-phenylmethoxyphenyl)methanone has a molecular weight of 405.46 g/mol, XLogP of 5.37, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzotriazol-1-yl-(3-phenyl-2-phenylmethoxyphenyl)methanone is sourced from PubChem (CID 25068065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).