2-[(E)-1,3-diphenylprop-2-enyl]benzotriazole

C21H17N3 — CID 56653867

IUPAC2-[(E)-1,3-diphenylprop-2-enyl]benzotriazole
SMILESC(=C/C(c1ccccc1)n1nc2ccccc2n1)\c1ccccc1
InChIInChI=1S/C21H17N3/c1-3-9-17(10-4-1)15-16-21(18-11-5-2-6-12-18)24-22-19-13-7-8-14-20(19)23-24/h1-16,21H/b16-15+
InChIKeyUWQIFZHRKVRRPA-FOCLMDBBSA-N
MW311.39 g/mol
LogP4.73
Rot. Bonds4

About 2-[(E)-1,3-diphenylprop-2-enyl]benzotriazole

2-[(E)-1,3-diphenylprop-2-enyl]benzotriazole (PubChem CID 56653867) has the molecular formula C21H17N3 and a molecular weight of 311.39 g/mol. Its IUPAC name is 2-[(E)-1,3-diphenylprop-2-enyl]benzotriazole.

Molecular Properties

Compound Name2-[(E)-1,3-diphenylprop-2-enyl]benzotriazole
PubChem CID56653867
Molecular FormulaC21H17N3
Molecular Weight311.39 g/mol
Exact Mass311.14
IUPAC Name2-[(E)-1,3-diphenylprop-2-enyl]benzotriazole
SMILESC(=C/C(c1ccccc1)n1nc2ccccc2n1)\c1ccccc1
InChIInChI=1S/C21H17N3/c1-3-9-17(10-4-1)15-16-21(18-11-5-2-6-12-18)24-22-19-13-7-8-14-20(19)23-24/h1-16,21H/b16-15+
InChIKeyUWQIFZHRKVRRPA-FOCLMDBBSA-N
XLogP4.73
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(E)-1,3-dinaphthalen-2-ylprop-2-enyl]benzotriazole
CID 56654209
4-(3,3-diphenylprop-1-enyl)phenol
CID 174315137
4-(1,3-diphenylprop-2-enyl)morpholine
CID 56612112
3-phenylprop-2-ene-1,1-diol
CID 54432533
2-[(E)-1,3-bis(2-methylphenyl)prop-2-enyl]benzotriazole
CID 56653868
(2R)-2,4-diphenylbut-3-enoic acid
CID 3246496
1-benzyl-4-[(E)-1,3-diphenylprop-2-enyl]piperazine
CID 122219060
1-chloro-4-[(E,1R)-1,3-diphenylprop-2-enyl]benzene
CID 102471698
(Z,1R)-3-phenyl-1-pyridin-3-ylprop-2-en-1-ol
CID 97304511
(E,2S,3R)-2,3,5-triphenylpent-4-en-2-ol
CID 10615189
(Z,2R)-4-phenylbut-3-en-2-ol
CID 11457765
(E)-3-(benzotriazol-1-yl)-1,5-diphenylpent-4-en-1-one
CID 53391597

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-1,3-diphenylprop-2-enyl]benzotriazole?
The IUPAC name of 2-[(E)-1,3-diphenylprop-2-enyl]benzotriazole (CID 56653867) is 2-[(E)-1,3-diphenylprop-2-enyl]benzotriazole.
What is the SMILES notation for 2-[(E)-1,3-diphenylprop-2-enyl]benzotriazole?
The canonical SMILES for 2-[(E)-1,3-diphenylprop-2-enyl]benzotriazole is C(=C/C(c1ccccc1)n1nc2ccccc2n1)\c1ccccc1.
What is the InChIKey of 2-[(E)-1,3-diphenylprop-2-enyl]benzotriazole?
The InChIKey is UWQIFZHRKVRRPA-FOCLMDBBSA-N. The full InChI is InChI=1S/C21H17N3/c1-3-9-17(10-4-1)15-16-21(18-11-5-2-6-12-18)24-22-19-13-7-8-14-20(19)23-24/h1-16,21H/b16-15+.
What are the key properties of 2-[(E)-1,3-diphenylprop-2-enyl]benzotriazole?
2-[(E)-1,3-diphenylprop-2-enyl]benzotriazole has a molecular weight of 311.39 g/mol, XLogP of 4.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-1,3-diphenylprop-2-enyl]benzotriazole is sourced from PubChem (CID 56653867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).