2-(benzotriazol-1-yl)-2-carbazol-9-yl-1-phenylethanone

C26H18N4O — CID 3802973

IUPAC2-(benzotriazol-1-yl)-2-carbazol-9-yl-1-phenylethanone
SMILESO=C(c1ccccc1)C(n1nnc2ccccc21)n1c2ccccc2c2ccccc21
InChIInChI=1S/C26H18N4O/c31-25(18-10-2-1-3-11-18)26(30-24-17-9-6-14-21(24)27-28-30)29-22-15-7-4-12-19(22)20-13-5-8-16-23(20)29/h1-17,26H
InChIKeyAPEGVIHITUGEJI-UHFFFAOYSA-N
MW402.46 g/mol
LogP5.47
Rot. Bonds4

About 2-(benzotriazol-1-yl)-2-carbazol-9-yl-1-phenylethanone

2-(benzotriazol-1-yl)-2-carbazol-9-yl-1-phenylethanone (PubChem CID 3802973) has the molecular formula C26H18N4O and a molecular weight of 402.46 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-2-carbazol-9-yl-1-phenylethanone.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-2-carbazol-9-yl-1-phenylethanone
PubChem CID3802973
Molecular FormulaC26H18N4O
Molecular Weight402.46 g/mol
Exact Mass402.15
IUPAC Name2-(benzotriazol-1-yl)-2-carbazol-9-yl-1-phenylethanone
SMILESO=C(c1ccccc1)C(n1nnc2ccccc21)n1c2ccccc2c2ccccc21
InChIInChI=1S/C26H18N4O/c31-25(18-10-2-1-3-11-18)26(30-24-17-9-6-14-21(24)27-28-30)29-22-15-7-4-12-19(22)20-13-5-8-16-23(20)29/h1-17,26H
InChIKeyAPEGVIHITUGEJI-UHFFFAOYSA-N
XLogP5.47
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.46
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(benzotriazol-1-yl)ethyl]benzamide
CID 5121940
[benzotriazol-1-yl(carbazol-9-yl)methyl]-triphenylsilane
CID 3750347
N-[2-benzamido-1,2-bis(benzotriazol-1-yl)ethyl]benzamide
CID 3504481
(3S)-3-(benzotriazol-1-yl)-1-phenylbutan-1-one
CID 139190791
2-(benzotriazol-1-yl)-2-(4-tert-butylfuran-2-yl)-1-phenylethanone
CID 10737179
1-(benzotriazol-1-yl)propyl benzoate
CID 3780036
2-(benzotriazol-1-yl)-1-phenyl-2-[1-(trifluoromethylsulfonyl)-4H-pyridin-4-yl]ethanone
CID 3337260
N-[1-(benzotriazol-1-yl)propyl]benzamide
CID 3733737
5-(benzotriazol-1-yl)-1-hydroxy-1-phenylhex-1-en-3-one
CID 3812002
2-(benzotriazol-1-yl)-3-methylbutanamide
CID 46840686
2-[2-[benzotriazol-1-yl(phenyl)methyl]-1-benzothiophen-3-yl]-1-phenylethanone
CID 5211099
N-[(R)-benzotriazol-1-yl(phenyl)methyl]acetamide
CID 785376

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-2-carbazol-9-yl-1-phenylethanone?
The IUPAC name of 2-(benzotriazol-1-yl)-2-carbazol-9-yl-1-phenylethanone (CID 3802973) is 2-(benzotriazol-1-yl)-2-carbazol-9-yl-1-phenylethanone.
What is the SMILES notation for 2-(benzotriazol-1-yl)-2-carbazol-9-yl-1-phenylethanone?
The canonical SMILES for 2-(benzotriazol-1-yl)-2-carbazol-9-yl-1-phenylethanone is O=C(c1ccccc1)C(n1nnc2ccccc21)n1c2ccccc2c2ccccc21.
What is the InChIKey of 2-(benzotriazol-1-yl)-2-carbazol-9-yl-1-phenylethanone?
The InChIKey is APEGVIHITUGEJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N4O/c31-25(18-10-2-1-3-11-18)26(30-24-17-9-6-14-21(24)27-28-30)29-22-15-7-4-12-19(22)20-13-5-8-16-23(20)29/h1-17,26H.
What are the key properties of 2-(benzotriazol-1-yl)-2-carbazol-9-yl-1-phenylethanone?
2-(benzotriazol-1-yl)-2-carbazol-9-yl-1-phenylethanone has a molecular weight of 402.46 g/mol, XLogP of 5.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-2-carbazol-9-yl-1-phenylethanone is sourced from PubChem (CID 3802973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).