1-(1-diphenylphosphoryl-2-phenylethyl)benzotriazole

C26H22N3OP — CID 3783348

IUPAC1-(1-diphenylphosphoryl-2-phenylethyl)benzotriazole
SMILESO=P(c1ccccc1)(c1ccccc1)C(Cc1ccccc1)n1nnc2ccccc21
InChIInChI=1S/C26H22N3OP/c30-31(22-14-6-2-7-15-22,23-16-8-3-9-17-23)26(20-21-12-4-1-5-13-21)29-25-19-11-10-18-24(25)27-28-29/h1-19,26H,20H2
InChIKeyDQGZZPYJRYJYMJ-UHFFFAOYSA-N
MW423.46 g/mol
LogP5.19
Rot. Bonds6

About 1-(1-diphenylphosphoryl-2-phenylethyl)benzotriazole

1-(1-diphenylphosphoryl-2-phenylethyl)benzotriazole (PubChem CID 3783348) has the molecular formula C26H22N3OP and a molecular weight of 423.46 g/mol. Its IUPAC name is 1-(1-diphenylphosphoryl-2-phenylethyl)benzotriazole.

Molecular Properties

Compound Name1-(1-diphenylphosphoryl-2-phenylethyl)benzotriazole
PubChem CID3783348
Molecular FormulaC26H22N3OP
Molecular Weight423.46 g/mol
Exact Mass423.15
IUPAC Name1-(1-diphenylphosphoryl-2-phenylethyl)benzotriazole
SMILESO=P(c1ccccc1)(c1ccccc1)C(Cc1ccccc1)n1nnc2ccccc21
InChIInChI=1S/C26H22N3OP/c30-31(22-14-6-2-7-15-22,23-16-8-3-9-17-23)26(20-21-12-4-1-5-13-21)29-25-19-11-10-18-24(25)27-28-29/h1-19,26H,20H2
InChIKeyDQGZZPYJRYJYMJ-UHFFFAOYSA-N
XLogP5.19
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.46
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 1-(1-diphenylphosphoryl-2-phenylethyl)benzotriazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1,2-diphenylethyl)benzotriazole
CID 3713183
1-(2-phenyl-1-pyridin-4-ylethyl)benzotriazole
CID 3540925
4-[1-(benzotriazol-1-yl)-2-phenylethyl]-N-methylaniline
CID 3714247
(2-diphenylphosphoryl-3-phenylpropyl)benzene
CID 162399003
1-[diethoxyphosphoryl(phenyl)methyl]benzotriazole
CID 3702071
N-[1-(benzotriazol-1-yl)-2-phenylethyl]-4-methoxybenzamide
CID 3405892
benzotriazol-1-yl (2S)-2-(dibenzylamino)propanoate
CID 11417792
(1R)-1-(benzotriazol-1-yl)propan-1-ol
CID 640749
N-[2-benzamido-1,2-bis(benzotriazol-1-yl)ethyl]benzamide
CID 3504481
N-[1-(benzotriazol-1-yl)propyl]benzamide
CID 3733737
(3S)-3-(benzotriazol-1-yl)-1-phenylbutan-1-one
CID 139190791
N-[1-(benzotriazol-1-yl)ethyl]benzamide
CID 5121940

Frequently Asked Questions

What is the IUPAC name of 1-(1-diphenylphosphoryl-2-phenylethyl)benzotriazole?
The IUPAC name of 1-(1-diphenylphosphoryl-2-phenylethyl)benzotriazole (CID 3783348) is 1-(1-diphenylphosphoryl-2-phenylethyl)benzotriazole.
What is the SMILES notation for 1-(1-diphenylphosphoryl-2-phenylethyl)benzotriazole?
The canonical SMILES for 1-(1-diphenylphosphoryl-2-phenylethyl)benzotriazole is O=P(c1ccccc1)(c1ccccc1)C(Cc1ccccc1)n1nnc2ccccc21.
What is the InChIKey of 1-(1-diphenylphosphoryl-2-phenylethyl)benzotriazole?
The InChIKey is DQGZZPYJRYJYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N3OP/c30-31(22-14-6-2-7-15-22,23-16-8-3-9-17-23)26(20-21-12-4-1-5-13-21)29-25-19-11-10-18-24(25)27-28-29/h1-19,26H,20H2.
What are the key properties of 1-(1-diphenylphosphoryl-2-phenylethyl)benzotriazole?
1-(1-diphenylphosphoryl-2-phenylethyl)benzotriazole has a molecular weight of 423.46 g/mol, XLogP of 5.19, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-diphenylphosphoryl-2-phenylethyl)benzotriazole is sourced from PubChem (CID 3783348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).