N-[(3,5-diphenylphenyl)-(methylamino)methylidene]-3,5-diphenylbenzenecarboximidamide

C39H31N3 — CID 137285198

IUPACN-[(3,5-diphenylphenyl)-(methylamino)methylidene]-3,5-diphenylbenzenecarboximidamide
SMILES[H]/N=C(/N=C(\NC)c1cc(-c2ccccc2)cc(-c2ccccc2)c1)c1cc(-c2ccccc2)cc(-c2ccccc2)c1
InChIInChI=1S/C39H31N3/c1-41-39(37-26-34(30-18-10-4-11-19-30)23-35(27-37)31-20-12-5-13-21-31)42-38(40)36-24-32(28-14-6-2-7-15-28)22-33(25-36)29-16-8-3-9-17-29/h2-27H,1H3,(H2,40,41,42)
InChIKeyZEDZEQDCJXSYSE-UHFFFAOYSA-N
MW541.70 g/mol
LogP9.35
Rot. Bonds6

About N-[(3,5-diphenylphenyl)-(methylamino)methylidene]-3,5-diphenylbenzenecarboximidamide

N-[(3,5-diphenylphenyl)-(methylamino)methylidene]-3,5-diphenylbenzenecarboximidamide (PubChem CID 137285198) has the molecular formula C39H31N3 and a molecular weight of 541.70 g/mol. Its IUPAC name is N-[(3,5-diphenylphenyl)-(methylamino)methylidene]-3,5-diphenylbenzenecarboximidamide.

Molecular Properties

Compound NameN-[(3,5-diphenylphenyl)-(methylamino)methylidene]-3,5-diphenylbenzenecarboximidamide
PubChem CID137285198
Molecular FormulaC39H31N3
Molecular Weight541.70 g/mol
Exact Mass541.25
IUPAC NameN-[(3,5-diphenylphenyl)-(methylamino)methylidene]-3,5-diphenylbenzenecarboximidamide
SMILES[H]/N=C(/N=C(\NC)c1cc(-c2ccccc2)cc(-c2ccccc2)c1)c1cc(-c2ccccc2)cc(-c2ccccc2)c1
InChIInChI=1S/C39H31N3/c1-41-39(37-26-34(30-18-10-4-11-19-30)23-35(27-37)31-20-12-5-13-21-31)42-38(40)36-24-32(28-14-6-2-7-15-28)22-33(25-36)29-16-8-3-9-17-29/h2-27H,1H3,(H2,40,41,42)
InChIKeyZEDZEQDCJXSYSE-UHFFFAOYSA-N
XLogP9.35
TPSA48.24 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.70
LogP ≤ 59.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(3,5-diphenylphenyl)-(methylamino)methylidene]-3,5-diphenylbenzenecarboximidamide 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-[(3,5-diphenylphenyl)-(methylamino)methylidene]-3,5-diphenylbenzenecarboximidamide?
The IUPAC name of N-[(3,5-diphenylphenyl)-(methylamino)methylidene]-3,5-diphenylbenzenecarboximidamide (CID 137285198) is N-[(3,5-diphenylphenyl)-(methylamino)methylidene]-3,5-diphenylbenzenecarboximidamide.
What is the SMILES notation for N-[(3,5-diphenylphenyl)-(methylamino)methylidene]-3,5-diphenylbenzenecarboximidamide?
The canonical SMILES for N-[(3,5-diphenylphenyl)-(methylamino)methylidene]-3,5-diphenylbenzenecarboximidamide is [H]/N=C(/N=C(\NC)c1cc(-c2ccccc2)cc(-c2ccccc2)c1)c1cc(-c2ccccc2)cc(-c2ccccc2)c1.
What is the InChIKey of N-[(3,5-diphenylphenyl)-(methylamino)methylidene]-3,5-diphenylbenzenecarboximidamide?
The InChIKey is ZEDZEQDCJXSYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H31N3/c1-41-39(37-26-34(30-18-10-4-11-19-30)23-35(27-37)31-20-12-5-13-21-31)42-38(40)36-24-32(28-14-6-2-7-15-28)22-33(25-36)29-16-8-3-9-17-29/h2-27H,1H3,(H2,40,41,42).
What are the key properties of N-[(3,5-diphenylphenyl)-(methylamino)methylidene]-3,5-diphenylbenzenecarboximidamide?
N-[(3,5-diphenylphenyl)-(methylamino)methylidene]-3,5-diphenylbenzenecarboximidamide has a molecular weight of 541.70 g/mol, XLogP of 9.35, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-diphenylphenyl)-(methylamino)methylidene]-3,5-diphenylbenzenecarboximidamide is sourced from PubChem (CID 137285198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).