N'-[C-(4-methylphenyl)-N-[(3-phenylphenyl)methyl]carbonimidoyl]-3-phenylbenzenecarboximidamide

C34H29N3 — CID 144645775

IUPACN'-[C-(4-methylphenyl)-N-[(3-phenylphenyl)methyl]carbonimidoyl]-3-phenylbenzenecarboximidamide
SMILESCc1ccc(C(/N=C(\N)c2cccc(-c3ccccc3)c2)=N\Cc2cccc(-c3ccccc3)c2)cc1
InChIInChI=1S/C34H29N3/c1-25-18-20-29(21-19-25)34(36-24-26-10-8-15-30(22-26)27-11-4-2-5-12-27)37-33(35)32-17-9-16-31(23-32)28-13-6-3-7-14-28/h2-23H,24H2,1H3,(H2,35,36,37)
InChIKeyUMXZVQYEOFVOSZ-UHFFFAOYSA-N
MW479.63 g/mol
LogP7.68
Rot. Bonds6

About N'-[C-(4-methylphenyl)-N-[(3-phenylphenyl)methyl]carbonimidoyl]-3-phenylbenzenecarboximidamide

N'-[C-(4-methylphenyl)-N-[(3-phenylphenyl)methyl]carbonimidoyl]-3-phenylbenzenecarboximidamide (PubChem CID 144645775) has the molecular formula C34H29N3 and a molecular weight of 479.63 g/mol. Its IUPAC name is N'-[C-(4-methylphenyl)-N-[(3-phenylphenyl)methyl]carbonimidoyl]-3-phenylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-[C-(4-methylphenyl)-N-[(3-phenylphenyl)methyl]carbonimidoyl]-3-phenylbenzenecarboximidamide
PubChem CID144645775
Molecular FormulaC34H29N3
Molecular Weight479.63 g/mol
Exact Mass479.24
IUPAC NameN'-[C-(4-methylphenyl)-N-[(3-phenylphenyl)methyl]carbonimidoyl]-3-phenylbenzenecarboximidamide
SMILESCc1ccc(C(/N=C(\N)c2cccc(-c3ccccc3)c2)=N\Cc2cccc(-c3ccccc3)c2)cc1
InChIInChI=1S/C34H29N3/c1-25-18-20-29(21-19-25)34(36-24-26-10-8-15-30(22-26)27-11-4-2-5-12-27)37-33(35)32-17-9-16-31(23-32)28-13-6-3-7-14-28/h2-23H,24H2,1H3,(H2,35,36,37)
InChIKeyUMXZVQYEOFVOSZ-UHFFFAOYSA-N
XLogP7.68
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.63
LogP ≤ 57.68
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'-benzyl-4-[4-(3,6-dimethylcarbazol-9-yl)phenyl]benzenecarboximidamide
CID 155203954
N-[amino-(4-phenylphenyl)methylidene]-N'-(dibenzofuran-3-ylmethyl)-4-methylbenzenecarboximidamide
CID 162363127
N-[amino(phenyl)methylidene]-4-(2,5-diphenylphenyl)-N'-[(4-phenylphenyl)methyl]benzenecarboximidamide
CID 171052336
N-[amino(phenyl)methylidene]-N'-[(4-phenylphenyl)methyl]-3-[2-(3-phenylphenyl)phenyl]benzenecarboximidamide
CID 171052549
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
N'-[N-benzyl-C-[3-(3-phenylphenyl)phenyl]carbonimidoyl]-9,9-dimethylfluorene-4-carboximidamide
CID 145237270
N'-benzyl-N-[(methylideneamino)-phenylmethylidene]-3-[3-(3-methylphenyl)phenyl]benzenecarboximidamide
CID 142293920
N'-[N-benzyl-C-[4-[3-[N'-(N-benzyl-C-phenylcarbonimidoyl)carbamimidoyl]phenyl]naphthalen-2-yl]carbonimidoyl]-9,9-dimethylxanthene-3-carboximidamide
CID 174266484
3-[7-[3-[N-[(benzylideneamino)-phenylmethylidene]carbamimidoyl]phenyl]-9,9-dimethylxanthen-2-yl]-N'-(N-benzyl-C-phenylcarbonimidoyl)benzenecarboximidamide
CID 130440050
N-[amino-(3-phenylphenyl)methylidene]-N'-(dibenzofuran-1-ylmethyl)-6-phenylnaphthalene-2-carboximidamide
CID 171587185
N'-benzyl-3-[5-[3-(N'-benzylcarbamimidoyl)phenyl]furan-2-yl]benzenecarboximidamide
CID 169205876

Frequently Asked Questions

What is the IUPAC name of N'-[C-(4-methylphenyl)-N-[(3-phenylphenyl)methyl]carbonimidoyl]-3-phenylbenzenecarboximidamide?
The IUPAC name of N'-[C-(4-methylphenyl)-N-[(3-phenylphenyl)methyl]carbonimidoyl]-3-phenylbenzenecarboximidamide (CID 144645775) is N'-[C-(4-methylphenyl)-N-[(3-phenylphenyl)methyl]carbonimidoyl]-3-phenylbenzenecarboximidamide.
What is the SMILES notation for N'-[C-(4-methylphenyl)-N-[(3-phenylphenyl)methyl]carbonimidoyl]-3-phenylbenzenecarboximidamide?
The canonical SMILES for N'-[C-(4-methylphenyl)-N-[(3-phenylphenyl)methyl]carbonimidoyl]-3-phenylbenzenecarboximidamide is Cc1ccc(C(/N=C(\N)c2cccc(-c3ccccc3)c2)=N\Cc2cccc(-c3ccccc3)c2)cc1.
What is the InChIKey of N'-[C-(4-methylphenyl)-N-[(3-phenylphenyl)methyl]carbonimidoyl]-3-phenylbenzenecarboximidamide?
The InChIKey is UMXZVQYEOFVOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H29N3/c1-25-18-20-29(21-19-25)34(36-24-26-10-8-15-30(22-26)27-11-4-2-5-12-27)37-33(35)32-17-9-16-31(23-32)28-13-6-3-7-14-28/h2-23H,24H2,1H3,(H2,35,36,37).
What are the key properties of N'-[C-(4-methylphenyl)-N-[(3-phenylphenyl)methyl]carbonimidoyl]-3-phenylbenzenecarboximidamide?
N'-[C-(4-methylphenyl)-N-[(3-phenylphenyl)methyl]carbonimidoyl]-3-phenylbenzenecarboximidamide has a molecular weight of 479.63 g/mol, XLogP of 7.68, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[C-(4-methylphenyl)-N-[(3-phenylphenyl)methyl]carbonimidoyl]-3-phenylbenzenecarboximidamide is sourced from PubChem (CID 144645775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).