N-(4-methylphenyl)-2,2-diphenylethenimine

C42H34N2 — CID 3057047

IUPACN-(4-methylphenyl)-2,2-diphenylethenimine
SMILESCc1ccc(N=C=C(c2ccccc2)c2ccccc2)cc1.Cc1ccc(N=C=C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C21H17N/c2*1-17-12-14-20(15-13-17)22-16-21(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2*2-15H,1H3
InChIKeyZOXVBNVWQGFQOR-UHFFFAOYSA-N
MW566.75 g/mol
LogP10.86
Rot. Bonds6

About N-(4-methylphenyl)-2,2-diphenylethenimine

N-(4-methylphenyl)-2,2-diphenylethenimine (PubChem CID 3057047) has the molecular formula C42H34N2 and a molecular weight of 566.75 g/mol. Its IUPAC name is N-(4-methylphenyl)-2,2-diphenylethenimine.

Molecular Properties

Compound NameN-(4-methylphenyl)-2,2-diphenylethenimine
PubChem CID3057047
Molecular FormulaC42H34N2
Molecular Weight566.75 g/mol
Exact Mass566.27
IUPAC NameN-(4-methylphenyl)-2,2-diphenylethenimine
SMILESCc1ccc(N=C=C(c2ccccc2)c2ccccc2)cc1.Cc1ccc(N=C=C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C21H17N/c2*1-17-12-14-20(15-13-17)22-16-21(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2*2-15H,1H3
InChIKeyZOXVBNVWQGFQOR-UHFFFAOYSA-N
XLogP10.86
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.75
LogP ≤ 510.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2,2-diphenylethenimine?
The IUPAC name of N-(4-methylphenyl)-2,2-diphenylethenimine (CID 3057047) is N-(4-methylphenyl)-2,2-diphenylethenimine.
What is the SMILES notation for N-(4-methylphenyl)-2,2-diphenylethenimine?
The canonical SMILES for N-(4-methylphenyl)-2,2-diphenylethenimine is Cc1ccc(N=C=C(c2ccccc2)c2ccccc2)cc1.Cc1ccc(N=C=C(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-(4-methylphenyl)-2,2-diphenylethenimine?
The InChIKey is ZOXVBNVWQGFQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H17N/c2*1-17-12-14-20(15-13-17)22-16-21(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2*2-15H,1H3.
What are the key properties of N-(4-methylphenyl)-2,2-diphenylethenimine?
N-(4-methylphenyl)-2,2-diphenylethenimine has a molecular weight of 566.75 g/mol, XLogP of 10.86, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2,2-diphenylethenimine is sourced from PubChem (CID 3057047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).