N-[(Z)-1-(benzotriazol-1-yl)hex-1-enyl]-N-phenylaniline

C24H24N4 — CID 6518439

IUPACN-[(Z)-1-(benzotriazol-1-yl)hex-1-enyl]-N-phenylaniline
SMILESCCCC/C=C(/N(c1ccccc1)c1ccccc1)n1nnc2ccccc21
InChIInChI=1S/C24H24N4/c1-2-3-6-19-24(28-23-18-12-11-17-22(23)25-26-28)27(20-13-7-4-8-14-20)21-15-9-5-10-16-21/h4-5,7-19H,2-3,6H2,1H3/b24-19-
InChIKeyHPBJBWLFSVLACA-CLCOLTQESA-N
MW368.48 g/mol
LogP6.26
Rot. Bonds7

About N-[(Z)-1-(benzotriazol-1-yl)hex-1-enyl]-N-phenylaniline

N-[(Z)-1-(benzotriazol-1-yl)hex-1-enyl]-N-phenylaniline (PubChem CID 6518439) has the molecular formula C24H24N4 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[(Z)-1-(benzotriazol-1-yl)hex-1-enyl]-N-phenylaniline.

Molecular Properties

Compound NameN-[(Z)-1-(benzotriazol-1-yl)hex-1-enyl]-N-phenylaniline
PubChem CID6518439
Molecular FormulaC24H24N4
Molecular Weight368.48 g/mol
Exact Mass368.20
IUPAC NameN-[(Z)-1-(benzotriazol-1-yl)hex-1-enyl]-N-phenylaniline
SMILESCCCC/C=C(/N(c1ccccc1)c1ccccc1)n1nnc2ccccc21
InChIInChI=1S/C24H24N4/c1-2-3-6-19-24(28-23-18-12-11-17-22(23)25-26-28)27(20-13-7-4-8-14-20)21-15-9-5-10-16-21/h4-5,7-19H,2-3,6H2,1H3/b24-19-
InChIKeyHPBJBWLFSVLACA-CLCOLTQESA-N
XLogP6.26
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.48
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-(benzotriazol-1-yl)oct-2-enenitrile
CID 126613436
1-[(E)-1-bromobut-1-enyl]benzotriazole
CID 26793587
N-ethyl-N-phenylbenzotriazole-1-carboxamide
CID 66688521
1-(benzotriazol-1-yl)-N-hexadecylethanimine
CID 175138278
N-butyl-N-methylbenzotriazole-1-carbothioamide
CID 11507058
N-butylbenzotriazole-1-carbothioamide
CID 26793399
2-(benzotriazol-1-yl)-N-methyl-2-oxo-N-phenylacetamide
CID 3770861
octadecyl benzotriazole-1-carboxylate
CID 174727674
hexyl benzotriazole-1-carboxylate
CID 67887474
1-(1-phenylsulfanylprop-1-enyl)benzotriazole
CID 3839750
1-(3-bromo-1-ethoxyprop-1-enyl)benzotriazole
CID 3694394
butyl N-[amino(benzotriazol-1-yl)methylidene]carbamate
CID 3741955

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(benzotriazol-1-yl)hex-1-enyl]-N-phenylaniline?
The IUPAC name of N-[(Z)-1-(benzotriazol-1-yl)hex-1-enyl]-N-phenylaniline (CID 6518439) is N-[(Z)-1-(benzotriazol-1-yl)hex-1-enyl]-N-phenylaniline.
What is the SMILES notation for N-[(Z)-1-(benzotriazol-1-yl)hex-1-enyl]-N-phenylaniline?
The canonical SMILES for N-[(Z)-1-(benzotriazol-1-yl)hex-1-enyl]-N-phenylaniline is CCCC/C=C(/N(c1ccccc1)c1ccccc1)n1nnc2ccccc21.
What is the InChIKey of N-[(Z)-1-(benzotriazol-1-yl)hex-1-enyl]-N-phenylaniline?
The InChIKey is HPBJBWLFSVLACA-CLCOLTQESA-N. The full InChI is InChI=1S/C24H24N4/c1-2-3-6-19-24(28-23-18-12-11-17-22(23)25-26-28)27(20-13-7-4-8-14-20)21-15-9-5-10-16-21/h4-5,7-19H,2-3,6H2,1H3/b24-19-.
What are the key properties of N-[(Z)-1-(benzotriazol-1-yl)hex-1-enyl]-N-phenylaniline?
N-[(Z)-1-(benzotriazol-1-yl)hex-1-enyl]-N-phenylaniline has a molecular weight of 368.48 g/mol, XLogP of 6.26, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(benzotriazol-1-yl)hex-1-enyl]-N-phenylaniline is sourced from PubChem (CID 6518439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).