N-[amino(phenyl)methylidene]-N'-[(4-phenylphenyl)methyl]-3-[2-(3-phenylphenyl)phenyl]benzenecarboximidamide

C45H35N3 — CID 171052549

IUPACN-[amino(phenyl)methylidene]-N'-[(4-phenylphenyl)methyl]-3-[2-(3-phenylphenyl)phenyl]benzenecarboximidamide
SMILESN/C(=N\C(=N\Cc1ccc(-c2ccccc2)cc1)c1cccc(-c2ccccc2-c2cccc(-c3ccccc3)c2)c1)c1ccccc1
InChIInChI=1S/C45H35N3/c46-44(37-18-8-3-9-19-37)48-45(47-32-33-26-28-36(29-27-33)34-14-4-1-5-15-34)41-23-13-22-40(31-41)43-25-11-10-24-42(43)39-21-12-20-38(30-39)35-16-6-2-7-17-35/h1-31H,32H2,(H2,46,47,48)
InChIKeyJQXBUMZHJGMCRY-UHFFFAOYSA-N
MW617.80 g/mol
LogP10.71
Rot. Bonds8

About N-[amino(phenyl)methylidene]-N'-[(4-phenylphenyl)methyl]-3-[2-(3-phenylphenyl)phenyl]benzenecarboximidamide

N-[amino(phenyl)methylidene]-N'-[(4-phenylphenyl)methyl]-3-[2-(3-phenylphenyl)phenyl]benzenecarboximidamide (PubChem CID 171052549) has the molecular formula C45H35N3 and a molecular weight of 617.80 g/mol. Its IUPAC name is N-[amino(phenyl)methylidene]-N'-[(4-phenylphenyl)methyl]-3-[2-(3-phenylphenyl)phenyl]benzenecarboximidamide.

Molecular Properties

Compound NameN-[amino(phenyl)methylidene]-N'-[(4-phenylphenyl)methyl]-3-[2-(3-phenylphenyl)phenyl]benzenecarboximidamide
PubChem CID171052549
Molecular FormulaC45H35N3
Molecular Weight617.80 g/mol
Exact Mass617.28
IUPAC NameN-[amino(phenyl)methylidene]-N'-[(4-phenylphenyl)methyl]-3-[2-(3-phenylphenyl)phenyl]benzenecarboximidamide
SMILESN/C(=N\C(=N\Cc1ccc(-c2ccccc2)cc1)c1cccc(-c2ccccc2-c2cccc(-c3ccccc3)c2)c1)c1ccccc1
InChIInChI=1S/C45H35N3/c46-44(37-18-8-3-9-19-37)48-45(47-32-33-26-28-36(29-27-33)34-14-4-1-5-15-34)41-23-13-22-40(31-41)43-25-11-10-24-42(43)39-21-12-20-38(30-39)35-16-6-2-7-17-35/h1-31H,32H2,(H2,46,47,48)
InChIKeyJQXBUMZHJGMCRY-UHFFFAOYSA-N
XLogP10.71
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.80
LogP ≤ 510.71
H-Bond Donors ≤ 51
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-[amino(phenyl)methylidene]-N'-[(4-phenylphenyl)methyl]-3-[2-(3-phenylphenyl)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

Related Compounds

N-[amino(phenyl)methylidene]-4-(2,5-diphenylphenyl)-N'-[(4-phenylphenyl)methyl]benzenecarboximidamide
CID 171052336
N-[amino(phenyl)methylidene]-3-naphtho[1,2-b][1]benzofuran-4-yl-N'-[(4-phenylphenyl)methyl]benzenecarboximidamide
CID 177112541
N'-[N-benzyl-C-[3-(3-phenylphenyl)phenyl]carbonimidoyl]-9,9-dimethylfluorene-4-carboximidamide
CID 145237270
N'-[C-(4-methylphenyl)-N-[(3-phenylphenyl)methyl]carbonimidoyl]-3-phenylbenzenecarboximidamide
CID 144645775
N'-benzyl-3-phenylbenzenecarboximidamide
CID 142527130
N-[amino-(3-phenylphenyl)methylidene]-N'-benzylpentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene-21-carboximidamide
CID 145340289
4-phenyl-N'-[C-phenyl-N-[[5-(9,9'-spirobi[fluorene]-3-yl)triphenylen-2-yl]methyl]carbonimidoyl]benzenecarboximidamide
CID 145452740
N-[amino(phenyl)methylidene]-N'-benzyl-9,9-diphenylfluorene-3-carboximidamide
CID 178089674
N'-[N-[[3-[4-[3,4-bis(ethenyl)isoquinolin-1-yl]naphthalen-1-yl]-5-(3-phenylphenyl)phenyl]methyl]-C-phenylcarbonimidoyl]benzenecarboximidamide
CID 145322422
3-phenyl-N'-[C-(3-phenylphenyl)-N-[1-(3-phenylphenyl)ethenyl]carbonimidoyl]benzenecarboximidamide
CID 145000761
N'-benzyl-N-[(methylideneamino)-phenylmethylidene]-3-[3-(3-methylphenyl)phenyl]benzenecarboximidamide
CID 142293920
2-phenyl-4-(4-phenylphenyl)-N'-[C-phenyl-N-[(4-phenylphenyl)methyl]carbonimidoyl]-[1]benzofuro[3,2-d]pyrimidine-7-carboximidamide
CID 170946791

Frequently Asked Questions

What is the IUPAC name of N-[amino(phenyl)methylidene]-N'-[(4-phenylphenyl)methyl]-3-[2-(3-phenylphenyl)phenyl]benzenecarboximidamide?
The IUPAC name of N-[amino(phenyl)methylidene]-N'-[(4-phenylphenyl)methyl]-3-[2-(3-phenylphenyl)phenyl]benzenecarboximidamide (CID 171052549) is N-[amino(phenyl)methylidene]-N'-[(4-phenylphenyl)methyl]-3-[2-(3-phenylphenyl)phenyl]benzenecarboximidamide.
What is the SMILES notation for N-[amino(phenyl)methylidene]-N'-[(4-phenylphenyl)methyl]-3-[2-(3-phenylphenyl)phenyl]benzenecarboximidamide?
The canonical SMILES for N-[amino(phenyl)methylidene]-N'-[(4-phenylphenyl)methyl]-3-[2-(3-phenylphenyl)phenyl]benzenecarboximidamide is N/C(=N\C(=N\Cc1ccc(-c2ccccc2)cc1)c1cccc(-c2ccccc2-c2cccc(-c3ccccc3)c2)c1)c1ccccc1.
What is the InChIKey of N-[amino(phenyl)methylidene]-N'-[(4-phenylphenyl)methyl]-3-[2-(3-phenylphenyl)phenyl]benzenecarboximidamide?
The InChIKey is JQXBUMZHJGMCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H35N3/c46-44(37-18-8-3-9-19-37)48-45(47-32-33-26-28-36(29-27-33)34-14-4-1-5-15-34)41-23-13-22-40(31-41)43-25-11-10-24-42(43)39-21-12-20-38(30-39)35-16-6-2-7-17-35/h1-31H,32H2,(H2,46,47,48).
What are the key properties of N-[amino(phenyl)methylidene]-N'-[(4-phenylphenyl)methyl]-3-[2-(3-phenylphenyl)phenyl]benzenecarboximidamide?
N-[amino(phenyl)methylidene]-N'-[(4-phenylphenyl)methyl]-3-[2-(3-phenylphenyl)phenyl]benzenecarboximidamide has a molecular weight of 617.80 g/mol, XLogP of 10.71, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[amino(phenyl)methylidene]-N'-[(4-phenylphenyl)methyl]-3-[2-(3-phenylphenyl)phenyl]benzenecarboximidamide is sourced from PubChem (CID 171052549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).