N-[4-(2,2-diphenylethenylideneamino)phenyl]-2,2-diphenylethenimine

C34H24N2 — CID 597059

IUPACN-[4-(2,2-diphenylethenylideneamino)phenyl]-2,2-diphenylethenimine
SMILESC(=Nc1ccc(N=C=C(c2ccccc2)c2ccccc2)cc1)=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H24N2/c1-5-13-27(14-6-1)33(28-15-7-2-8-16-28)25-35-31-21-23-32(24-22-31)36-26-34(29-17-9-3-10-18-29)30-19-11-4-12-20-30/h1-24H
InChIKeyUTKMOLGWWXFTSS-UHFFFAOYSA-N
MW460.58 g/mol
LogP8.55
Rot. Bonds6

About N-[4-(2,2-diphenylethenylideneamino)phenyl]-2,2-diphenylethenimine

N-[4-(2,2-diphenylethenylideneamino)phenyl]-2,2-diphenylethenimine (PubChem CID 597059) has the molecular formula C34H24N2 and a molecular weight of 460.58 g/mol. Its IUPAC name is N-[4-(2,2-diphenylethenylideneamino)phenyl]-2,2-diphenylethenimine.

Molecular Properties

Compound NameN-[4-(2,2-diphenylethenylideneamino)phenyl]-2,2-diphenylethenimine
PubChem CID597059
Molecular FormulaC34H24N2
Molecular Weight460.58 g/mol
Exact Mass460.19
IUPAC NameN-[4-(2,2-diphenylethenylideneamino)phenyl]-2,2-diphenylethenimine
SMILESC(=Nc1ccc(N=C=C(c2ccccc2)c2ccccc2)cc1)=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H24N2/c1-5-13-27(14-6-1)33(28-15-7-2-8-16-28)25-35-31-21-23-32(24-22-31)36-26-34(29-17-9-3-10-18-29)30-19-11-4-12-20-30/h1-24H
InChIKeyUTKMOLGWWXFTSS-UHFFFAOYSA-N
XLogP8.55
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.58
LogP ≤ 58.55
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-(2,2-diphenylethenylideneamino)phenyl]-2,2-diphenylethenimine?
The IUPAC name of N-[4-(2,2-diphenylethenylideneamino)phenyl]-2,2-diphenylethenimine (CID 597059) is N-[4-(2,2-diphenylethenylideneamino)phenyl]-2,2-diphenylethenimine.
What is the SMILES notation for N-[4-(2,2-diphenylethenylideneamino)phenyl]-2,2-diphenylethenimine?
The canonical SMILES for N-[4-(2,2-diphenylethenylideneamino)phenyl]-2,2-diphenylethenimine is C(=Nc1ccc(N=C=C(c2ccccc2)c2ccccc2)cc1)=C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[4-(2,2-diphenylethenylideneamino)phenyl]-2,2-diphenylethenimine?
The InChIKey is UTKMOLGWWXFTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H24N2/c1-5-13-27(14-6-1)33(28-15-7-2-8-16-28)25-35-31-21-23-32(24-22-31)36-26-34(29-17-9-3-10-18-29)30-19-11-4-12-20-30/h1-24H.
What are the key properties of N-[4-(2,2-diphenylethenylideneamino)phenyl]-2,2-diphenylethenimine?
N-[4-(2,2-diphenylethenylideneamino)phenyl]-2,2-diphenylethenimine has a molecular weight of 460.58 g/mol, XLogP of 8.55, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,2-diphenylethenylideneamino)phenyl]-2,2-diphenylethenimine is sourced from PubChem (CID 597059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).