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

C32H28Cl2N4 — CID 90664994

IUPACN'-[4-[3-[3-[[amino(phenyl)methylidene]amino]phenyl]phenyl]phenyl]benzenecarboximidamide;dihydrochloride
SMILESCl.Cl.N/C(=N\c1ccc(-c2cccc(-c3cccc(/N=C(\N)c4ccccc4)c3)c2)cc1)c1ccccc1
InChIInChI=1S/C32H26N4.2ClH/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);2*1H
InChIKeyULBHLEQBYZRBTN-UHFFFAOYSA-N
MW539.51 g/mol
LogP7.94
Rot. Bonds6

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

N'-[4-[3-[3-[[amino(phenyl)methylidene]amino]phenyl]phenyl]phenyl]benzenecarboximidamide;dihydrochloride (PubChem CID 90664994) has the molecular formula C32H28Cl2N4 and a molecular weight of 539.51 g/mol. Its IUPAC name is N'-[4-[3-[3-[[amino(phenyl)methylidene]amino]phenyl]phenyl]phenyl]benzenecarboximidamide;dihydrochloride.

Molecular Properties

Compound NameN'-[4-[3-[3-[[amino(phenyl)methylidene]amino]phenyl]phenyl]phenyl]benzenecarboximidamide;dihydrochloride
PubChem CID90664994
Molecular FormulaC32H28Cl2N4
Molecular Weight539.51 g/mol
Exact Mass538.17
IUPAC NameN'-[4-[3-[3-[[amino(phenyl)methylidene]amino]phenyl]phenyl]phenyl]benzenecarboximidamide;dihydrochloride
SMILESCl.Cl.N/C(=N\c1ccc(-c2cccc(-c3cccc(/N=C(\N)c4ccccc4)c3)c2)cc1)c1ccccc1
InChIInChI=1S/C32H26N4.2ClH/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);2*1H
InChIKeyULBHLEQBYZRBTN-UHFFFAOYSA-N
XLogP7.94
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.51
LogP ≤ 57.94
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;dihydrochloride 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;dihydrochloride?
The IUPAC name of N'-[4-[3-[3-[[amino(phenyl)methylidene]amino]phenyl]phenyl]phenyl]benzenecarboximidamide;dihydrochloride (CID 90664994) is N'-[4-[3-[3-[[amino(phenyl)methylidene]amino]phenyl]phenyl]phenyl]benzenecarboximidamide;dihydrochloride.
What is the SMILES notation for N'-[4-[3-[3-[[amino(phenyl)methylidene]amino]phenyl]phenyl]phenyl]benzenecarboximidamide;dihydrochloride?
The canonical SMILES for N'-[4-[3-[3-[[amino(phenyl)methylidene]amino]phenyl]phenyl]phenyl]benzenecarboximidamide;dihydrochloride is Cl.Cl.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;dihydrochloride?
The InChIKey is ULBHLEQBYZRBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26N4.2ClH/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);2*1H.
What are the key properties of N'-[4-[3-[3-[[amino(phenyl)methylidene]amino]phenyl]phenyl]phenyl]benzenecarboximidamide;dihydrochloride?
N'-[4-[3-[3-[[amino(phenyl)methylidene]amino]phenyl]phenyl]phenyl]benzenecarboximidamide;dihydrochloride has a molecular weight of 539.51 g/mol, XLogP of 7.94, 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;dihydrochloride is sourced from PubChem (CID 90664994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).