N,N-dibenzyl-3-chloro-4-[(diphenylhydrazinylidene)methyl]aniline

C33H28ClN3 — CID 54497636

IUPACN,N-dibenzyl-3-chloro-4-[(diphenylhydrazinylidene)methyl]aniline
SMILESClc1cc(N(Cc2ccccc2)Cc2ccccc2)ccc1C=NN(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H28ClN3/c34-33-23-32(36(25-27-13-5-1-6-14-27)26-28-15-7-2-8-16-28)22-21-29(33)24-35-37(30-17-9-3-10-18-30)31-19-11-4-12-20-31/h1-24H,25-26H2
InChIKeyYAFYISNSJKXJGS-UHFFFAOYSA-N
MW502.06 g/mol
LogP8.72
Rot. Bonds9

About N,N-dibenzyl-3-chloro-4-[(diphenylhydrazinylidene)methyl]aniline

N,N-dibenzyl-3-chloro-4-[(diphenylhydrazinylidene)methyl]aniline (PubChem CID 54497636) has the molecular formula C33H28ClN3 and a molecular weight of 502.06 g/mol. Its IUPAC name is N,N-dibenzyl-3-chloro-4-[(diphenylhydrazinylidene)methyl]aniline.

Molecular Properties

Compound NameN,N-dibenzyl-3-chloro-4-[(diphenylhydrazinylidene)methyl]aniline
PubChem CID54497636
Molecular FormulaC33H28ClN3
Molecular Weight502.06 g/mol
Exact Mass501.20
IUPAC NameN,N-dibenzyl-3-chloro-4-[(diphenylhydrazinylidene)methyl]aniline
SMILESClc1cc(N(Cc2ccccc2)Cc2ccccc2)ccc1C=NN(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H28ClN3/c34-33-23-32(36(25-27-13-5-1-6-14-27)26-28-15-7-2-8-16-28)22-21-29(33)24-35-37(30-17-9-3-10-18-30)31-19-11-4-12-20-31/h1-24H,25-26H2
InChIKeyYAFYISNSJKXJGS-UHFFFAOYSA-N
XLogP8.72
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.06
LogP ≤ 58.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-3-chloro-4-[(diphenylhydrazinylidene)methyl]aniline?
The IUPAC name of N,N-dibenzyl-3-chloro-4-[(diphenylhydrazinylidene)methyl]aniline (CID 54497636) is N,N-dibenzyl-3-chloro-4-[(diphenylhydrazinylidene)methyl]aniline.
What is the SMILES notation for N,N-dibenzyl-3-chloro-4-[(diphenylhydrazinylidene)methyl]aniline?
The canonical SMILES for N,N-dibenzyl-3-chloro-4-[(diphenylhydrazinylidene)methyl]aniline is Clc1cc(N(Cc2ccccc2)Cc2ccccc2)ccc1C=NN(c1ccccc1)c1ccccc1.
What is the InChIKey of N,N-dibenzyl-3-chloro-4-[(diphenylhydrazinylidene)methyl]aniline?
The InChIKey is YAFYISNSJKXJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H28ClN3/c34-33-23-32(36(25-27-13-5-1-6-14-27)26-28-15-7-2-8-16-28)22-21-29(33)24-35-37(30-17-9-3-10-18-30)31-19-11-4-12-20-31/h1-24H,25-26H2.
What are the key properties of N,N-dibenzyl-3-chloro-4-[(diphenylhydrazinylidene)methyl]aniline?
N,N-dibenzyl-3-chloro-4-[(diphenylhydrazinylidene)methyl]aniline has a molecular weight of 502.06 g/mol, XLogP of 8.72, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-3-chloro-4-[(diphenylhydrazinylidene)methyl]aniline is sourced from PubChem (CID 54497636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).