(E)-3-(benzotriazol-1-yl)-1-naphthalen-1-yl-2,3-diphenylprop-2-en-1-ol

C31H23N3O — CID 102168349

IUPAC(E)-3-(benzotriazol-1-yl)-1-naphthalen-1-yl-2,3-diphenylprop-2-en-1-ol
SMILESOC(/C(=C(\c1ccccc1)n1nnc2ccccc21)c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C31H23N3O/c35-31(26-19-11-17-22-12-7-8-18-25(22)26)29(23-13-3-1-4-14-23)30(24-15-5-2-6-16-24)34-28-21-10-9-20-27(28)32-33-34/h1-21,31,35H/b30-29+
InChIKeyPPDQEOLAZRSMNR-QVIHXGFCSA-N
MW453.55 g/mol
LogP6.73
Rot. Bonds5

About (E)-3-(benzotriazol-1-yl)-1-naphthalen-1-yl-2,3-diphenylprop-2-en-1-ol

(E)-3-(benzotriazol-1-yl)-1-naphthalen-1-yl-2,3-diphenylprop-2-en-1-ol (PubChem CID 102168349) has the molecular formula C31H23N3O and a molecular weight of 453.55 g/mol. Its IUPAC name is (E)-3-(benzotriazol-1-yl)-1-naphthalen-1-yl-2,3-diphenylprop-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-(benzotriazol-1-yl)-1-naphthalen-1-yl-2,3-diphenylprop-2-en-1-ol
PubChem CID102168349
Molecular FormulaC31H23N3O
Molecular Weight453.55 g/mol
Exact Mass453.18
IUPAC Name(E)-3-(benzotriazol-1-yl)-1-naphthalen-1-yl-2,3-diphenylprop-2-en-1-ol
SMILESOC(/C(=C(\c1ccccc1)n1nnc2ccccc21)c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C31H23N3O/c35-31(26-19-11-17-22-12-7-8-18-25(22)26)29(23-13-3-1-4-14-23)30(24-15-5-2-6-16-24)34-28-21-10-9-20-27(28)32-33-34/h1-21,31,35H/b30-29+
InChIKeyPPDQEOLAZRSMNR-QVIHXGFCSA-N
XLogP6.73
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.55
LogP ≤ 56.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-(benzotriazol-1-yl)-1-(4-methylphenyl)-2-phenylethenamine
CID 10449065
(2E)-2-[benzotriazol-1-yl(phenyl)methylidene]-3,3-dimethylbutan-1-ol
CID 11012258
1-[(Z)-3,3-difluoro-1-phenylprop-1-enyl]benzotriazole
CID 156786178
1-[(E)-2-(4-methylphenyl)-1-phenyl-3-phenylsulfanylprop-1-enyl]benzotriazole
CID 10873738
(Z)-2-(benzotriazol-1-yl)-1-phenyl-2-pyridin-2-ylethenol
CID 135717547
N-[benzotriazol-1-yl(naphthalen-1-yl)methyl]pyridine-3-carboxamide
CID 118856223
(1S,2S)-1,2-dinaphthalen-1-ylethane-1,2-diol
CID 10470897
1-[(E)-2-(4-bromophenyl)-1-methoxy-2-phenylethenyl]benzotriazole
CID 10916514
(1-methylbenzimidazol-2-yl)-naphthalen-1-ylmethanol
CID 2870493
1-[(Z)-1-(4-methoxyphenyl)-2-(4-methylphenyl)-3-phenylselanylprop-1-enyl]benzotriazole
CID 101166442
benzotriazol-1-yl-[4-(diethylamino)phenyl]methanone
CID 690503
benzotriazol-1-yl-[4-(2-phenoxyethoxy)phenyl]methanone
CID 4952668

Frequently Asked Questions

What is the IUPAC name of (E)-3-(benzotriazol-1-yl)-1-naphthalen-1-yl-2,3-diphenylprop-2-en-1-ol?
The IUPAC name of (E)-3-(benzotriazol-1-yl)-1-naphthalen-1-yl-2,3-diphenylprop-2-en-1-ol (CID 102168349) is (E)-3-(benzotriazol-1-yl)-1-naphthalen-1-yl-2,3-diphenylprop-2-en-1-ol.
What is the SMILES notation for (E)-3-(benzotriazol-1-yl)-1-naphthalen-1-yl-2,3-diphenylprop-2-en-1-ol?
The canonical SMILES for (E)-3-(benzotriazol-1-yl)-1-naphthalen-1-yl-2,3-diphenylprop-2-en-1-ol is OC(/C(=C(\c1ccccc1)n1nnc2ccccc21)c1ccccc1)c1cccc2ccccc12.
What is the InChIKey of (E)-3-(benzotriazol-1-yl)-1-naphthalen-1-yl-2,3-diphenylprop-2-en-1-ol?
The InChIKey is PPDQEOLAZRSMNR-QVIHXGFCSA-N. The full InChI is InChI=1S/C31H23N3O/c35-31(26-19-11-17-22-12-7-8-18-25(22)26)29(23-13-3-1-4-14-23)30(24-15-5-2-6-16-24)34-28-21-10-9-20-27(28)32-33-34/h1-21,31,35H/b30-29+.
What are the key properties of (E)-3-(benzotriazol-1-yl)-1-naphthalen-1-yl-2,3-diphenylprop-2-en-1-ol?
(E)-3-(benzotriazol-1-yl)-1-naphthalen-1-yl-2,3-diphenylprop-2-en-1-ol has a molecular weight of 453.55 g/mol, XLogP of 6.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(benzotriazol-1-yl)-1-naphthalen-1-yl-2,3-diphenylprop-2-en-1-ol is sourced from PubChem (CID 102168349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).