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

C33H29N3 — CID 4099876

IUPACN,N-dibenzyl-4-[(diphenylhydrazinylidene)methyl]aniline
SMILESC(=NN(c1ccccc1)c1ccccc1)c1ccc(N(Cc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C33H29N3/c1-5-13-29(14-6-1)26-35(27-30-15-7-2-8-16-30)31-23-21-28(22-24-31)25-34-36(32-17-9-3-10-18-32)33-19-11-4-12-20-33/h1-25H,26-27H2
InChIKeyIRKBOPBCDTWDDY-UHFFFAOYSA-N
MW467.62 g/mol
LogP8.07
Rot. Bonds9

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

N,N-dibenzyl-4-[(diphenylhydrazinylidene)methyl]aniline (PubChem CID 4099876) has the molecular formula C33H29N3 and a molecular weight of 467.62 g/mol. Its IUPAC name is N,N-dibenzyl-4-[(diphenylhydrazinylidene)methyl]aniline.

Molecular Properties

Compound NameN,N-dibenzyl-4-[(diphenylhydrazinylidene)methyl]aniline
PubChem CID4099876
Molecular FormulaC33H29N3
Molecular Weight467.62 g/mol
Exact Mass467.24
IUPAC NameN,N-dibenzyl-4-[(diphenylhydrazinylidene)methyl]aniline
SMILESC(=NN(c1ccccc1)c1ccccc1)c1ccc(N(Cc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C33H29N3/c1-5-13-29(14-6-1)26-35(27-30-15-7-2-8-16-30)31-23-21-28(22-24-31)25-34-36(32-17-9-3-10-18-32)33-19-11-4-12-20-33/h1-25H,26-27H2
InChIKeyIRKBOPBCDTWDDY-UHFFFAOYSA-N
XLogP8.07
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.62
LogP ≤ 58.07
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-4-[(diphenylhydrazinylidene)methyl]aniline?
The IUPAC name of N,N-dibenzyl-4-[(diphenylhydrazinylidene)methyl]aniline (CID 4099876) is N,N-dibenzyl-4-[(diphenylhydrazinylidene)methyl]aniline.
What is the SMILES notation for N,N-dibenzyl-4-[(diphenylhydrazinylidene)methyl]aniline?
The canonical SMILES for N,N-dibenzyl-4-[(diphenylhydrazinylidene)methyl]aniline is C(=NN(c1ccccc1)c1ccccc1)c1ccc(N(Cc2ccccc2)Cc2ccccc2)cc1.
What is the InChIKey of N,N-dibenzyl-4-[(diphenylhydrazinylidene)methyl]aniline?
The InChIKey is IRKBOPBCDTWDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29N3/c1-5-13-29(14-6-1)26-35(27-30-15-7-2-8-16-30)31-23-21-28(22-24-31)25-34-36(32-17-9-3-10-18-32)33-19-11-4-12-20-33/h1-25H,26-27H2.
What are the key properties of N,N-dibenzyl-4-[(diphenylhydrazinylidene)methyl]aniline?
N,N-dibenzyl-4-[(diphenylhydrazinylidene)methyl]aniline has a molecular weight of 467.62 g/mol, XLogP of 8.07, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-4-[(diphenylhydrazinylidene)methyl]aniline is sourced from PubChem (CID 4099876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).