N'-[4-[3-[3-[[amino(phenyl)methylidene]amino]phenyl]phenyl]phenyl]benzenecarboximidamide

C32H26N4 — CID 71745509

IUPACN'-[4-[3-[3-[[amino(phenyl)methylidene]amino]phenyl]phenyl]phenyl]benzenecarboximidamide
SMILESN/C(=N\c1ccc(-c2cccc(-c3cccc(/N=C(\N)c4ccccc4)c3)c2)cc1)c1ccccc1
InChIInChI=1S/C32H26N4/c33-31(24-9-3-1-4-10-24)35-29-19-17-23(18-20-29)26-13-7-14-27(21-26)28-15-8-16-30(22-28)36-32(34)25-11-5-2-6-12-25/h1-22H,(H2,33,35)(H2,34,36)
InChIKeyNQASEDYCBASVRG-UHFFFAOYSA-N
MW466.59 g/mol
LogP7.09
Rot. Bonds6

About N'-[4-[3-[3-[[amino(phenyl)methylidene]amino]phenyl]phenyl]phenyl]benzenecarboximidamide

N'-[4-[3-[3-[[amino(phenyl)methylidene]amino]phenyl]phenyl]phenyl]benzenecarboximidamide (PubChem CID 71745509) has the molecular formula C32H26N4 and a molecular weight of 466.59 g/mol. Its IUPAC name is N'-[4-[3-[3-[[amino(phenyl)methylidene]amino]phenyl]phenyl]phenyl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-[4-[3-[3-[[amino(phenyl)methylidene]amino]phenyl]phenyl]phenyl]benzenecarboximidamide
PubChem CID71745509
Molecular FormulaC32H26N4
Molecular Weight466.59 g/mol
Exact Mass466.22
IUPAC NameN'-[4-[3-[3-[[amino(phenyl)methylidene]amino]phenyl]phenyl]phenyl]benzenecarboximidamide
SMILESN/C(=N\c1ccc(-c2cccc(-c3cccc(/N=C(\N)c4ccccc4)c3)c2)cc1)c1ccccc1
InChIInChI=1S/C32H26N4/c33-31(24-9-3-1-4-10-24)35-29-19-17-23(18-20-29)26-13-7-14-27(21-26)28-15-8-16-30(22-28)36-32(34)25-11-5-2-6-12-25/h1-22H,(H2,33,35)(H2,34,36)
InChIKeyNQASEDYCBASVRG-UHFFFAOYSA-N
XLogP7.09
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.59
LogP ≤ 57.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N'-[4-[3-[3-[[amino(phenyl)methylidene]amino]phenyl]phenyl]phenyl]benzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-[4-[3-[3-[[amino(phenyl)methylidene]amino]phenyl]phenyl]phenyl]benzenecarboximidamide?
The IUPAC name of N'-[4-[3-[3-[[amino(phenyl)methylidene]amino]phenyl]phenyl]phenyl]benzenecarboximidamide (CID 71745509) is N'-[4-[3-[3-[[amino(phenyl)methylidene]amino]phenyl]phenyl]phenyl]benzenecarboximidamide.
What is the SMILES notation for N'-[4-[3-[3-[[amino(phenyl)methylidene]amino]phenyl]phenyl]phenyl]benzenecarboximidamide?
The canonical SMILES for N'-[4-[3-[3-[[amino(phenyl)methylidene]amino]phenyl]phenyl]phenyl]benzenecarboximidamide is N/C(=N\c1ccc(-c2cccc(-c3cccc(/N=C(\N)c4ccccc4)c3)c2)cc1)c1ccccc1.
What is the InChIKey of N'-[4-[3-[3-[[amino(phenyl)methylidene]amino]phenyl]phenyl]phenyl]benzenecarboximidamide?
The InChIKey is NQASEDYCBASVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26N4/c33-31(24-9-3-1-4-10-24)35-29-19-17-23(18-20-29)26-13-7-14-27(21-26)28-15-8-16-30(22-28)36-32(34)25-11-5-2-6-12-25/h1-22H,(H2,33,35)(H2,34,36).
What are the key properties of N'-[4-[3-[3-[[amino(phenyl)methylidene]amino]phenyl]phenyl]phenyl]benzenecarboximidamide?
N'-[4-[3-[3-[[amino(phenyl)methylidene]amino]phenyl]phenyl]phenyl]benzenecarboximidamide has a molecular weight of 466.59 g/mol, XLogP of 7.09, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[3-[3-[[amino(phenyl)methylidene]amino]phenyl]phenyl]phenyl]benzenecarboximidamide is sourced from PubChem (CID 71745509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).