1-(1-cyclopropyl-3,3-diphenylpropa-1,2-dienyl)benzotriazole

C24H19N3 — CID 135064802

IUPAC1-(1-cyclopropyl-3,3-diphenylpropa-1,2-dienyl)benzotriazole
SMILESC(=C(c1ccccc1)c1ccccc1)=C(C1CC1)n1nnc2ccccc21
InChIInChI=1S/C24H19N3/c1-3-9-18(10-4-1)21(19-11-5-2-6-12-19)17-24(20-15-16-20)27-23-14-8-7-13-22(23)25-26-27/h1-14,20H,15-16H2
InChIKeyLGVJAXVRPWSFNB-UHFFFAOYSA-N
MW349.44 g/mol
LogP5.41
Rot. Bonds4

About 1-(1-cyclopropyl-3,3-diphenylpropa-1,2-dienyl)benzotriazole

1-(1-cyclopropyl-3,3-diphenylpropa-1,2-dienyl)benzotriazole (PubChem CID 135064802) has the molecular formula C24H19N3 and a molecular weight of 349.44 g/mol. Its IUPAC name is 1-(1-cyclopropyl-3,3-diphenylpropa-1,2-dienyl)benzotriazole.

Molecular Properties

Compound Name1-(1-cyclopropyl-3,3-diphenylpropa-1,2-dienyl)benzotriazole
PubChem CID135064802
Molecular FormulaC24H19N3
Molecular Weight349.44 g/mol
Exact Mass349.16
IUPAC Name1-(1-cyclopropyl-3,3-diphenylpropa-1,2-dienyl)benzotriazole
SMILESC(=C(c1ccccc1)c1ccccc1)=C(C1CC1)n1nnc2ccccc21
InChIInChI=1S/C24H19N3/c1-3-9-18(10-4-1)21(19-11-5-2-6-12-19)17-24(20-15-16-20)27-23-14-8-7-13-22(23)25-26-27/h1-14,20H,15-16H2
InChIKeyLGVJAXVRPWSFNB-UHFFFAOYSA-N
XLogP5.41
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.44
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

benzotriazol-1-yl-(4-methylcyclohexyl)methanone
CID 26794170
1-(1-cyclohexylprop-1-enyl)benzotriazole
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1-[(Z)-3,3-difluoro-1-phenylprop-1-enyl]benzotriazole
CID 156786178
(2E)-2-[benzotriazol-1-yl(phenyl)methylidene]-3,3-dimethylbutan-1-ol
CID 11012258
(Z)-2-(benzotriazol-1-yl)-1-(4-methylphenyl)-2-phenylethenamine
CID 10449065
2-(benzotriazol-1-yl)prop-2-enoic acid
CID 174497195
1-(1,4-diphenylbuta-1,3-dienyl)benzotriazole
CID 3851457
(Z)-2-(benzotriazol-1-yl)-1-phenyl-2-pyridin-2-ylethenol
CID 135717547
[4-(benzotriazol-1-yl)phenyl]-cyclopropylmethanone
CID 155516115
benzotriazol-1-yl(piperidin-1-yl)methanone;hydrochloride
CID 142638813
benzotriazol-1-yl-[(1S,2S)-2-fluorocyclopropyl]methanone
CID 178012586
(Z)-3-(benzotriazol-1-yl)-3-pyridin-4-ylprop-2-enenitrile
CID 11118377

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropyl-3,3-diphenylpropa-1,2-dienyl)benzotriazole?
The IUPAC name of 1-(1-cyclopropyl-3,3-diphenylpropa-1,2-dienyl)benzotriazole (CID 135064802) is 1-(1-cyclopropyl-3,3-diphenylpropa-1,2-dienyl)benzotriazole.
What is the SMILES notation for 1-(1-cyclopropyl-3,3-diphenylpropa-1,2-dienyl)benzotriazole?
The canonical SMILES for 1-(1-cyclopropyl-3,3-diphenylpropa-1,2-dienyl)benzotriazole is C(=C(c1ccccc1)c1ccccc1)=C(C1CC1)n1nnc2ccccc21.
What is the InChIKey of 1-(1-cyclopropyl-3,3-diphenylpropa-1,2-dienyl)benzotriazole?
The InChIKey is LGVJAXVRPWSFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3/c1-3-9-18(10-4-1)21(19-11-5-2-6-12-19)17-24(20-15-16-20)27-23-14-8-7-13-22(23)25-26-27/h1-14,20H,15-16H2.
What are the key properties of 1-(1-cyclopropyl-3,3-diphenylpropa-1,2-dienyl)benzotriazole?
1-(1-cyclopropyl-3,3-diphenylpropa-1,2-dienyl)benzotriazole has a molecular weight of 349.44 g/mol, XLogP of 5.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropyl-3,3-diphenylpropa-1,2-dienyl)benzotriazole is sourced from PubChem (CID 135064802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).