9H-fluoren-9-ylmethyl benzotriazole-1-carboxylate

C21H15N3O2 — CID 39846786

IUPAC9H-fluoren-9-ylmethyl benzotriazole-1-carboxylate
SMILESO=C(OCC1c2ccccc2-c2ccccc21)n1nnc2ccccc21
InChIInChI=1S/C21H15N3O2/c25-21(24-20-12-6-5-11-19(20)22-23-24)26-13-18-16-9-3-1-7-14(16)15-8-2-4-10-17(15)18/h1-12,18H,13H2
InChIKeyAUVWTIWVRLRSSR-UHFFFAOYSA-N
MW341.37 g/mol
LogP4.23
Rot. Bonds2

About 9H-fluoren-9-ylmethyl benzotriazole-1-carboxylate

9H-fluoren-9-ylmethyl benzotriazole-1-carboxylate (PubChem CID 39846786) has the molecular formula C21H15N3O2 and a molecular weight of 341.37 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl benzotriazole-1-carboxylate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl benzotriazole-1-carboxylate
PubChem CID39846786
Molecular FormulaC21H15N3O2
Molecular Weight341.37 g/mol
Exact Mass341.12
IUPAC Name9H-fluoren-9-ylmethyl benzotriazole-1-carboxylate
SMILESO=C(OCC1c2ccccc2-c2ccccc21)n1nnc2ccccc21
InChIInChI=1S/C21H15N3O2/c25-21(24-20-12-6-5-11-19(20)22-23-24)26-13-18-16-9-3-1-7-14(16)15-8-2-4-10-17(15)18/h1-12,18H,13H2
InChIKeyAUVWTIWVRLRSSR-UHFFFAOYSA-N
XLogP4.23
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9H-fluoren-9-ylmethyl N-[1-(benzotriazol-1-yl)-4-methyl-1-oxopentan-2-yl]carbamate
CID 74318420
9H-fluoren-9-ylmethyl N-[(2S,3S)-1-(benzotriazol-1-yl)-3-methyl-1-oxopentan-2-yl]carbamate
CID 39846471
9H-fluoren-9-ylmethyl benzimidazole-1-carboxylate
CID 175850253
9H-fluoren-9-ylmethyl N-[(2S)-1-(benzotriazol-1-yl)-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]carbamate
CID 25260018
9H-fluoren-9-ylmethyl N-[(2S)-1-(benzotriazol-1-yl)-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]carbamate
CID 118521132
octadecyl benzotriazole-1-carboxylate
CID 174727674
hexyl benzotriazole-1-carboxylate
CID 67887474
benzotriazol-1-yl(9H-xanthen-9-yl)methanone
CID 4166721
9H-fluoren-9-ylmethyl 2-bromoacetate
CID 86059891
9H-fluoren-9-ylmethyl carbonofluoridate
CID 10131014
9H-fluoren-9-ylmethyl 3-oxoazetidine-1-carboxylate
CID 171525727
9H-fluoren-9-ylmethyl 2-aminoacetate
CID 5185129

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl benzotriazole-1-carboxylate?
The IUPAC name of 9H-fluoren-9-ylmethyl benzotriazole-1-carboxylate (CID 39846786) is 9H-fluoren-9-ylmethyl benzotriazole-1-carboxylate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl benzotriazole-1-carboxylate?
The canonical SMILES for 9H-fluoren-9-ylmethyl benzotriazole-1-carboxylate is O=C(OCC1c2ccccc2-c2ccccc21)n1nnc2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl benzotriazole-1-carboxylate?
The InChIKey is AUVWTIWVRLRSSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O2/c25-21(24-20-12-6-5-11-19(20)22-23-24)26-13-18-16-9-3-1-7-14(16)15-8-2-4-10-17(15)18/h1-12,18H,13H2.
What are the key properties of 9H-fluoren-9-ylmethyl benzotriazole-1-carboxylate?
9H-fluoren-9-ylmethyl benzotriazole-1-carboxylate has a molecular weight of 341.37 g/mol, XLogP of 4.23, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl benzotriazole-1-carboxylate is sourced from PubChem (CID 39846786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).