4-[[4-[(4-anilinophenyl)iminomethyl]phenyl]methylideneamino]-N-phenylaniline

C32H26N4 — CID 4179875

IUPAC4-[[4-[(4-anilinophenyl)iminomethyl]phenyl]methylideneamino]-N-phenylaniline
SMILESC(=N/c1ccc(Nc2ccccc2)cc1)\c1ccc(/C=N/c2ccc(Nc3ccccc3)cc2)cc1
InChIInChI=1S/C32H26N4/c1-3-7-29(8-4-1)35-31-19-15-27(16-20-31)33-23-25-11-13-26(14-12-25)24-34-28-17-21-32(22-18-28)36-30-9-5-2-6-10-30/h1-24,35-36H/b33-23+,34-24+
InChIKeyKUZWTQNAFZDXRZ-IENBMRAWSA-N
MW466.59 g/mol
LogP8.68
Rot. Bonds8

About 4-[[4-[(4-anilinophenyl)iminomethyl]phenyl]methylideneamino]-N-phenylaniline

4-[[4-[(4-anilinophenyl)iminomethyl]phenyl]methylideneamino]-N-phenylaniline (PubChem CID 4179875) has the molecular formula C32H26N4 and a molecular weight of 466.59 g/mol. Its IUPAC name is 4-[[4-[(4-anilinophenyl)iminomethyl]phenyl]methylideneamino]-N-phenylaniline.

Molecular Properties

Compound Name4-[[4-[(4-anilinophenyl)iminomethyl]phenyl]methylideneamino]-N-phenylaniline
PubChem CID4179875
Molecular FormulaC32H26N4
Molecular Weight466.59 g/mol
Exact Mass466.22
IUPAC Name4-[[4-[(4-anilinophenyl)iminomethyl]phenyl]methylideneamino]-N-phenylaniline
SMILESC(=N/c1ccc(Nc2ccccc2)cc1)\c1ccc(/C=N/c2ccc(Nc3ccccc3)cc2)cc1
InChIInChI=1S/C32H26N4/c1-3-7-29(8-4-1)35-31-19-15-27(16-20-31)33-23-25-11-13-26(14-12-25)24-34-28-17-21-32(22-18-28)36-30-9-5-2-6-10-30/h1-24,35-36H/b33-23+,34-24+
InChIKeyKUZWTQNAFZDXRZ-IENBMRAWSA-N
XLogP8.68
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.59
LogP ≤ 58.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 4-[[4-[(4-anilinophenyl)iminomethyl]phenyl]methylideneamino]-N-phenylaniline?
The IUPAC name of 4-[[4-[(4-anilinophenyl)iminomethyl]phenyl]methylideneamino]-N-phenylaniline (CID 4179875) is 4-[[4-[(4-anilinophenyl)iminomethyl]phenyl]methylideneamino]-N-phenylaniline.
What is the SMILES notation for 4-[[4-[(4-anilinophenyl)iminomethyl]phenyl]methylideneamino]-N-phenylaniline?
The canonical SMILES for 4-[[4-[(4-anilinophenyl)iminomethyl]phenyl]methylideneamino]-N-phenylaniline is C(=N/c1ccc(Nc2ccccc2)cc1)\c1ccc(/C=N/c2ccc(Nc3ccccc3)cc2)cc1.
What is the InChIKey of 4-[[4-[(4-anilinophenyl)iminomethyl]phenyl]methylideneamino]-N-phenylaniline?
The InChIKey is KUZWTQNAFZDXRZ-IENBMRAWSA-N. The full InChI is InChI=1S/C32H26N4/c1-3-7-29(8-4-1)35-31-19-15-27(16-20-31)33-23-25-11-13-26(14-12-25)24-34-28-17-21-32(22-18-28)36-30-9-5-2-6-10-30/h1-24,35-36H/b33-23+,34-24+.
What are the key properties of 4-[[4-[(4-anilinophenyl)iminomethyl]phenyl]methylideneamino]-N-phenylaniline?
4-[[4-[(4-anilinophenyl)iminomethyl]phenyl]methylideneamino]-N-phenylaniline has a molecular weight of 466.59 g/mol, XLogP of 8.68, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(4-anilinophenyl)iminomethyl]phenyl]methylideneamino]-N-phenylaniline is sourced from PubChem (CID 4179875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).