N'-(N-benzyl-C-naphthalen-2-ylcarbonimidoyl)-9-naphthalen-2-yldibenzofuran-1-carboximidamide

C41H29N3O — CID 170218964

IUPACN'-(N-benzyl-C-naphthalen-2-ylcarbonimidoyl)-9-naphthalen-2-yldibenzofuran-1-carboximidamide
SMILESN/C(=N/C(=N/Cc1ccccc1)c1ccc2ccccc2c1)c1cccc2oc3cccc(-c4ccc5ccccc5c4)c3c12
InChIInChI=1S/C41H29N3O/c42-40(44-41(43-26-27-10-2-1-3-11-27)33-23-21-29-13-5-7-15-31(29)25-33)35-17-9-19-37-39(35)38-34(16-8-18-36(38)45-37)32-22-20-28-12-4-6-14-30(28)24-32/h1-25H,26H2,(H2,42,43,44)
InChIKeyMABMZPGLZQWSKF-UHFFFAOYSA-N
MW579.70 g/mol
LogP9.91
Rot. Bonds5

About N'-(N-benzyl-C-naphthalen-2-ylcarbonimidoyl)-9-naphthalen-2-yldibenzofuran-1-carboximidamide

N'-(N-benzyl-C-naphthalen-2-ylcarbonimidoyl)-9-naphthalen-2-yldibenzofuran-1-carboximidamide (PubChem CID 170218964) has the molecular formula C41H29N3O and a molecular weight of 579.70 g/mol. Its IUPAC name is N'-(N-benzyl-C-naphthalen-2-ylcarbonimidoyl)-9-naphthalen-2-yldibenzofuran-1-carboximidamide.

Molecular Properties

Compound NameN'-(N-benzyl-C-naphthalen-2-ylcarbonimidoyl)-9-naphthalen-2-yldibenzofuran-1-carboximidamide
PubChem CID170218964
Molecular FormulaC41H29N3O
Molecular Weight579.70 g/mol
Exact Mass579.23
IUPAC NameN'-(N-benzyl-C-naphthalen-2-ylcarbonimidoyl)-9-naphthalen-2-yldibenzofuran-1-carboximidamide
SMILESN/C(=N/C(=N/Cc1ccccc1)c1ccc2ccccc2c1)c1cccc2oc3cccc(-c4ccc5ccccc5c4)c3c12
InChIInChI=1S/C41H29N3O/c42-40(44-41(43-26-27-10-2-1-3-11-27)33-23-21-29-13-5-7-15-31(29)25-33)35-17-9-19-37-39(35)38-34(16-8-18-36(38)45-37)32-22-20-28-12-4-6-14-30(28)24-32/h1-25H,26H2,(H2,42,43,44)
InChIKeyMABMZPGLZQWSKF-UHFFFAOYSA-N
XLogP9.91
TPSA63.88 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.70
LogP ≤ 59.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

7-dibenzofuran-1-yl-N'-[N-(dibenzofuran-1-ylmethyl)-C-phenylcarbonimidoyl]naphthalene-2-carboximidamide
CID 170243820
N'-(N-benzyl-C-naphthalen-2-ylcarbonimidoyl)-N-methylidene-4-(4-naphthalen-1-ylphenyl)dibenzofuran-1-carboximidamide
CID 170423096
N-[(methylideneamino)-(6-phenylnaphthalen-2-yl)methylidene]-N'-(naphthalen-2-ylmethyl)-5-phenylnaphtho[2,1-b][1]benzofuran-11-carboximidamide
CID 167144365
N-[amino-(3-phenylphenyl)methylidene]-N'-(dibenzofuran-1-ylmethyl)-6-phenylnaphthalene-2-carboximidamide
CID 171587185
9-naphtho[2,3-b][1]benzofuran-2-yl-N'-[C-phenyl-N-[(4-phenylphenyl)methyl]carbonimidoyl]-3,4-dihydrodibenzofuran-1-carboximidamide
CID 170145272
N'-[C-naphthalen-2-yl-N-[[8-(3-phenylphenyl)dibenzofuran-1-yl]methyl]carbonimidoyl]dibenzofuran-3-carboximidamide
CID 170246169
N-[amino(phenyl)methylidene]-N'-[(4-phenylphenyl)methyl]-3-[2-(3-phenylphenyl)phenyl]benzenecarboximidamide
CID 171052549
N'-(N-benzyl-C-phenylcarbonimidoyl)-N-methylidene-8-phenanthren-2-yldibenzofuran-1-carboximidamide
CID 170423152
N'-[(4-dibenzofuran-1-ylnaphthalen-2-yl)methyl]-N-[(methylideneamino)-phenylmethylidene]naphthalene-2-carboximidamide
CID 170424013
N'-(N-benzyl-C-dibenzofuran-4-ylcarbonimidoyl)-4-phenyldibenzofuran-1-carboximidamide
CID 167008229
N'-[N-[(8-dibenzothiophen-4-yldibenzofuran-1-yl)methyl]-C-phenylcarbonimidoyl]dibenzofuran-1-carboximidamide
CID 170145480
8-(3-carbazol-9-yldibenzothiophen-1-yl)-N'-[C-(3-phenylphenyl)-N-[(3-phenylphenyl)methyl]carbonimidoyl]dibenzofuran-1-carboximidamide
CID 156643243

Frequently Asked Questions

What is the IUPAC name of N'-(N-benzyl-C-naphthalen-2-ylcarbonimidoyl)-9-naphthalen-2-yldibenzofuran-1-carboximidamide?
The IUPAC name of N'-(N-benzyl-C-naphthalen-2-ylcarbonimidoyl)-9-naphthalen-2-yldibenzofuran-1-carboximidamide (CID 170218964) is N'-(N-benzyl-C-naphthalen-2-ylcarbonimidoyl)-9-naphthalen-2-yldibenzofuran-1-carboximidamide.
What is the SMILES notation for N'-(N-benzyl-C-naphthalen-2-ylcarbonimidoyl)-9-naphthalen-2-yldibenzofuran-1-carboximidamide?
The canonical SMILES for N'-(N-benzyl-C-naphthalen-2-ylcarbonimidoyl)-9-naphthalen-2-yldibenzofuran-1-carboximidamide is N/C(=N/C(=N/Cc1ccccc1)c1ccc2ccccc2c1)c1cccc2oc3cccc(-c4ccc5ccccc5c4)c3c12.
What is the InChIKey of N'-(N-benzyl-C-naphthalen-2-ylcarbonimidoyl)-9-naphthalen-2-yldibenzofuran-1-carboximidamide?
The InChIKey is MABMZPGLZQWSKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H29N3O/c42-40(44-41(43-26-27-10-2-1-3-11-27)33-23-21-29-13-5-7-15-31(29)25-33)35-17-9-19-37-39(35)38-34(16-8-18-36(38)45-37)32-22-20-28-12-4-6-14-30(28)24-32/h1-25H,26H2,(H2,42,43,44).
What are the key properties of N'-(N-benzyl-C-naphthalen-2-ylcarbonimidoyl)-9-naphthalen-2-yldibenzofuran-1-carboximidamide?
N'-(N-benzyl-C-naphthalen-2-ylcarbonimidoyl)-9-naphthalen-2-yldibenzofuran-1-carboximidamide has a molecular weight of 579.70 g/mol, XLogP of 9.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(N-benzyl-C-naphthalen-2-ylcarbonimidoyl)-9-naphthalen-2-yldibenzofuran-1-carboximidamide is sourced from PubChem (CID 170218964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).