N-[amino(phenyl)methylidene]-4-(2,5-diphenylphenyl)-N'-[(4-phenylphenyl)methyl]benzenecarboximidamide

C45H35N3 — CID 171052336

IUPACN-[amino(phenyl)methylidene]-4-(2,5-diphenylphenyl)-N'-[(4-phenylphenyl)methyl]benzenecarboximidamide
SMILESN/C(=N\C(=N\Cc1ccc(-c2ccccc2)cc1)c1ccc(-c2cc(-c3ccccc3)ccc2-c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C45H35N3/c46-44(39-19-11-4-12-20-39)48-45(47-32-33-21-23-36(24-22-33)34-13-5-1-6-14-34)40-27-25-38(26-28-40)43-31-41(35-15-7-2-8-16-35)29-30-42(43)37-17-9-3-10-18-37/h1-31H,32H2,(H2,46,47,48)
InChIKeyWGLKFMDRFLVLMX-UHFFFAOYSA-N
MW617.80 g/mol
LogP10.71
Rot. Bonds8

About N-[amino(phenyl)methylidene]-4-(2,5-diphenylphenyl)-N'-[(4-phenylphenyl)methyl]benzenecarboximidamide

N-[amino(phenyl)methylidene]-4-(2,5-diphenylphenyl)-N'-[(4-phenylphenyl)methyl]benzenecarboximidamide (PubChem CID 171052336) has the molecular formula C45H35N3 and a molecular weight of 617.80 g/mol. Its IUPAC name is N-[amino(phenyl)methylidene]-4-(2,5-diphenylphenyl)-N'-[(4-phenylphenyl)methyl]benzenecarboximidamide.

Molecular Properties

Compound NameN-[amino(phenyl)methylidene]-4-(2,5-diphenylphenyl)-N'-[(4-phenylphenyl)methyl]benzenecarboximidamide
PubChem CID171052336
Molecular FormulaC45H35N3
Molecular Weight617.80 g/mol
Exact Mass617.28
IUPAC NameN-[amino(phenyl)methylidene]-4-(2,5-diphenylphenyl)-N'-[(4-phenylphenyl)methyl]benzenecarboximidamide
SMILESN/C(=N\C(=N\Cc1ccc(-c2ccccc2)cc1)c1ccc(-c2cc(-c3ccccc3)ccc2-c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C45H35N3/c46-44(39-19-11-4-12-20-39)48-45(47-32-33-21-23-36(24-22-33)34-13-5-1-6-14-34)40-27-25-38(26-28-40)43-31-41(35-15-7-2-8-16-35)29-30-42(43)37-17-9-3-10-18-37/h1-31H,32H2,(H2,46,47,48)
InChIKeyWGLKFMDRFLVLMX-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'}

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Related Compounds

N-[amino(phenyl)methylidene]-N'-[(4-phenylphenyl)methyl]-3-[2-(3-phenylphenyl)phenyl]benzenecarboximidamide
CID 171052549
N'-[C-(4-methylphenyl)-N-[(3-phenylphenyl)methyl]carbonimidoyl]-3-phenylbenzenecarboximidamide
CID 144645775
N-[amino(phenyl)methylidene]-N'-benzyl-2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]benzenecarboximidamide
CID 135247317
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]-3-naphtho[1,2-b][1]benzofuran-4-yl-N'-[(4-phenylphenyl)methyl]benzenecarboximidamide
CID 177112541
N-[amino-(4-phenylphenyl)methylidene]-N'-(dibenzofuran-3-ylmethyl)-4-methylbenzenecarboximidamide
CID 162363127
N-[amino(phenyl)methylidene]-N'-benzyl-4-[4-(3,6-dimethylcarbazol-9-yl)phenyl]benzenecarboximidamide
CID 155203954
2-phenyl-4-(4-phenylphenyl)-N'-[C-phenyl-N-[(4-phenylphenyl)methyl]carbonimidoyl]-[1]benzofuro[3,2-d]pyrimidine-7-carboximidamide
CID 170946791
N'-[N-benzyl-C-[3-(3-phenylphenyl)phenyl]carbonimidoyl]-9,9-dimethylfluorene-4-carboximidamide
CID 145237270
N'-benzyl-3-phenylbenzenecarboximidamide
CID 142527130
N'-(N-benzyl-C-phenylcarbonimidoyl)-4-(11-hydroxy-10,12-diphenylindolo[3,2-c]carbazol-5-yl)benzenecarboximidamide
CID 145268808
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

Frequently Asked Questions

What is the IUPAC name of N-[amino(phenyl)methylidene]-4-(2,5-diphenylphenyl)-N'-[(4-phenylphenyl)methyl]benzenecarboximidamide?
The IUPAC name of N-[amino(phenyl)methylidene]-4-(2,5-diphenylphenyl)-N'-[(4-phenylphenyl)methyl]benzenecarboximidamide (CID 171052336) is N-[amino(phenyl)methylidene]-4-(2,5-diphenylphenyl)-N'-[(4-phenylphenyl)methyl]benzenecarboximidamide.
What is the SMILES notation for N-[amino(phenyl)methylidene]-4-(2,5-diphenylphenyl)-N'-[(4-phenylphenyl)methyl]benzenecarboximidamide?
The canonical SMILES for N-[amino(phenyl)methylidene]-4-(2,5-diphenylphenyl)-N'-[(4-phenylphenyl)methyl]benzenecarboximidamide is N/C(=N\C(=N\Cc1ccc(-c2ccccc2)cc1)c1ccc(-c2cc(-c3ccccc3)ccc2-c2ccccc2)cc1)c1ccccc1.
What is the InChIKey of N-[amino(phenyl)methylidene]-4-(2,5-diphenylphenyl)-N'-[(4-phenylphenyl)methyl]benzenecarboximidamide?
The InChIKey is WGLKFMDRFLVLMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H35N3/c46-44(39-19-11-4-12-20-39)48-45(47-32-33-21-23-36(24-22-33)34-13-5-1-6-14-34)40-27-25-38(26-28-40)43-31-41(35-15-7-2-8-16-35)29-30-42(43)37-17-9-3-10-18-37/h1-31H,32H2,(H2,46,47,48).
What are the key properties of N-[amino(phenyl)methylidene]-4-(2,5-diphenylphenyl)-N'-[(4-phenylphenyl)methyl]benzenecarboximidamide?
N-[amino(phenyl)methylidene]-4-(2,5-diphenylphenyl)-N'-[(4-phenylphenyl)methyl]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]-4-(2,5-diphenylphenyl)-N'-[(4-phenylphenyl)methyl]benzenecarboximidamide is sourced from PubChem (CID 171052336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).