(Z)-2-(benzotriazol-1-yl)-1-(4-methylphenyl)-2-phenylethenamine

C21H18N4 — CID 10449065

IUPAC(Z)-2-(benzotriazol-1-yl)-1-(4-methylphenyl)-2-phenylethenamine
SMILESCc1ccc(/C(N)=C(\c2ccccc2)n2nnc3ccccc32)cc1
InChIInChI=1S/C21H18N4/c1-15-11-13-16(14-12-15)20(22)21(17-7-3-2-4-8-17)25-19-10-6-5-9-18(19)23-24-25/h2-14H,22H2,1H3/b21-20-
InChIKeyPVLUGSKGQSHVRS-MRCUWXFGSA-N
MW326.40 g/mol
LogP4.07
Rot. Bonds3

About (Z)-2-(benzotriazol-1-yl)-1-(4-methylphenyl)-2-phenylethenamine

(Z)-2-(benzotriazol-1-yl)-1-(4-methylphenyl)-2-phenylethenamine (PubChem CID 10449065) has the molecular formula C21H18N4 and a molecular weight of 326.40 g/mol. Its IUPAC name is (Z)-2-(benzotriazol-1-yl)-1-(4-methylphenyl)-2-phenylethenamine.

Molecular Properties

Compound Name(Z)-2-(benzotriazol-1-yl)-1-(4-methylphenyl)-2-phenylethenamine
PubChem CID10449065
Molecular FormulaC21H18N4
Molecular Weight326.40 g/mol
Exact Mass326.15
IUPAC Name(Z)-2-(benzotriazol-1-yl)-1-(4-methylphenyl)-2-phenylethenamine
SMILESCc1ccc(/C(N)=C(\c2ccccc2)n2nnc3ccccc32)cc1
InChIInChI=1S/C21H18N4/c1-15-11-13-16(14-12-15)20(22)21(17-7-3-2-4-8-17)25-19-10-6-5-9-18(19)23-24-25/h2-14H,22H2,1H3/b21-20-
InChIKeyPVLUGSKGQSHVRS-MRCUWXFGSA-N
XLogP4.07
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 54.07
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

1-[(E)-2-(4-methylphenyl)-1-phenyl-3-phenylsulfanylprop-1-enyl]benzotriazole
CID 10873738
1-[(Z)-1-(4-methoxyphenyl)-2-(4-methylphenyl)-3-phenylselanylprop-1-enyl]benzotriazole
CID 101166442
(2E)-2-[benzotriazol-1-yl(phenyl)methylidene]-3,3-dimethylbutan-1-ol
CID 11012258
(E)-3-amino-2-(5-methylbenzotriazol-1-yl)-3-phenylprop-2-enoic acid
CID 175128264
(E)-3-amino-2-(benzotriazol-1-yl)-1-(3,4-dimethoxyphenyl)-3-phenylprop-2-en-1-one
CID 156773387
1-[(E)-2-(4-bromophenyl)-1-methoxy-2-phenylethenyl]benzotriazole
CID 10916514
(Z)-2-(benzotriazol-1-yl)-1-phenyl-2-pyridin-2-ylethenol
CID 135717547
1-[(E)-2-(2,5-dimethylphenyl)-1-(4-fluorophenyl)-3-phenylsulfanylprop-1-enyl]benzotriazole
CID 11027010
N'-methylbenzotriazole-1-carboximidamide
CID 55282851
methyl (E)-3-amino-2-(5-methylbenzotriazol-1-yl)-3-phenylprop-2-enoate
CID 175712566
(E)-3-(benzotriazol-1-yl)-1-naphthalen-1-yl-2,3-diphenylprop-2-en-1-ol
CID 102168349
1-[(E)-2-ethoxy-1-phenoxy-2-phenylethenyl]benzotriazole
CID 6517471

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(benzotriazol-1-yl)-1-(4-methylphenyl)-2-phenylethenamine?
The IUPAC name of (Z)-2-(benzotriazol-1-yl)-1-(4-methylphenyl)-2-phenylethenamine (CID 10449065) is (Z)-2-(benzotriazol-1-yl)-1-(4-methylphenyl)-2-phenylethenamine.
What is the SMILES notation for (Z)-2-(benzotriazol-1-yl)-1-(4-methylphenyl)-2-phenylethenamine?
The canonical SMILES for (Z)-2-(benzotriazol-1-yl)-1-(4-methylphenyl)-2-phenylethenamine is Cc1ccc(/C(N)=C(\c2ccccc2)n2nnc3ccccc32)cc1.
What is the InChIKey of (Z)-2-(benzotriazol-1-yl)-1-(4-methylphenyl)-2-phenylethenamine?
The InChIKey is PVLUGSKGQSHVRS-MRCUWXFGSA-N. The full InChI is InChI=1S/C21H18N4/c1-15-11-13-16(14-12-15)20(22)21(17-7-3-2-4-8-17)25-19-10-6-5-9-18(19)23-24-25/h2-14H,22H2,1H3/b21-20-.
What are the key properties of (Z)-2-(benzotriazol-1-yl)-1-(4-methylphenyl)-2-phenylethenamine?
(Z)-2-(benzotriazol-1-yl)-1-(4-methylphenyl)-2-phenylethenamine has a molecular weight of 326.40 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(benzotriazol-1-yl)-1-(4-methylphenyl)-2-phenylethenamine is sourced from PubChem (CID 10449065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).