N'-(N-benzyl-C-dibenzofuran-4-ylcarbonimidoyl)-4-phenyldibenzofuran-1-carboximidamide

C39H27N3O2 — CID 167008229

IUPACN'-(N-benzyl-C-dibenzofuran-4-ylcarbonimidoyl)-4-phenyldibenzofuran-1-carboximidamide
SMILESN/C(=N\C(=N\Cc1ccccc1)c1cccc2c1oc1ccccc12)c1ccc(-c2ccccc2)c2oc3ccccc3c12
InChIInChI=1S/C39H27N3O2/c40-38(31-23-22-27(26-14-5-2-6-15-26)37-35(31)30-17-8-10-21-34(30)44-37)42-39(41-24-25-12-3-1-4-13-25)32-19-11-18-29-28-16-7-9-20-33(28)43-36(29)32/h1-23H,24H2,(H2,40,41,42)
InChIKeyLVZOWVNSJFVBCZ-UHFFFAOYSA-N
MW569.66 g/mol
LogP9.50
Rot. Bonds5

About N'-(N-benzyl-C-dibenzofuran-4-ylcarbonimidoyl)-4-phenyldibenzofuran-1-carboximidamide

N'-(N-benzyl-C-dibenzofuran-4-ylcarbonimidoyl)-4-phenyldibenzofuran-1-carboximidamide (PubChem CID 167008229) has the molecular formula C39H27N3O2 and a molecular weight of 569.66 g/mol. Its IUPAC name is N'-(N-benzyl-C-dibenzofuran-4-ylcarbonimidoyl)-4-phenyldibenzofuran-1-carboximidamide.

Molecular Properties

Compound NameN'-(N-benzyl-C-dibenzofuran-4-ylcarbonimidoyl)-4-phenyldibenzofuran-1-carboximidamide
PubChem CID167008229
Molecular FormulaC39H27N3O2
Molecular Weight569.66 g/mol
Exact Mass569.21
IUPAC NameN'-(N-benzyl-C-dibenzofuran-4-ylcarbonimidoyl)-4-phenyldibenzofuran-1-carboximidamide
SMILESN/C(=N\C(=N\Cc1ccccc1)c1cccc2c1oc1ccccc12)c1ccc(-c2ccccc2)c2oc3ccccc3c12
InChIInChI=1S/C39H27N3O2/c40-38(31-23-22-27(26-14-5-2-6-15-26)37-35(31)30-17-8-10-21-34(30)44-37)42-39(41-24-25-12-3-1-4-13-25)32-19-11-18-29-28-16-7-9-20-33(28)43-36(29)32/h1-23H,24H2,(H2,40,41,42)
InChIKeyLVZOWVNSJFVBCZ-UHFFFAOYSA-N
XLogP9.50
TPSA77.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.66
LogP ≤ 59.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'-[N-benzyl-C-(4-dibenzofuran-4-ylphenyl)carbonimidoyl]-8,8-dimethylindeno[1,2-a]oxanthrene-1-carboximidamide
CID 142561233
N-[amino(phenyl)methylidene]-3-naphtho[1,2-b][1]benzofuran-4-yl-N'-[(4-phenylphenyl)methyl]benzenecarboximidamide
CID 177112541
N'-(N-benzyl-C-naphthalen-2-ylcarbonimidoyl)-N-methylidene-4-(4-naphthalen-1-ylphenyl)dibenzofuran-1-carboximidamide
CID 170423096
N'-(N-benzyl-C-phenylcarbonimidoyl)-6-(9,9'-spirobi[fluorene]-1-yl)dibenzofuran-4-carboximidamide
CID 156646981
8-amino-N'-(N-benzyl-C-dibenzofuran-3-ylcarbonimidoyl)-7-[(4-phenylphenyl)methylsulfanyl]dibenzofuran-1-carboximidamide
CID 167129353
N'-(N-benzyl-C-phenylcarbonimidoyl)-8-[4-(N-(4-dibenzofuran-4-ylphenyl)-4-phenylanilino)phenyl]-N-methylidenedibenzofuran-1-carboximidamide
CID 142427293
N'-[N-[(8-dibenzofuran-4-yldibenzothiophen-4-yl)methyl]-C-phenylcarbonimidoyl]dibenzothiophene-4-carboximidamide
CID 146542421
N'-benzyl-N-[1-[7-[4-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)phenyl]dibenzofuran-4-yl]ethylidene]benzenecarboximidamide
CID 163931726
N'-[N-[(6-dibenzofuran-2-yldibenzofuran-1-yl)methyl]-C-phenylcarbonimidoyl]benzenecarboximidamide
CID 166988217
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-phenyldibenzofuran-1-amine
CID 175743038
N-[amino(phenyl)methylidene]-4-([1]benzofuro[2,3-a]carbazol-12-yl)-N'-benzylbenzenecarboximidamide
CID 156624021

Frequently Asked Questions

What is the IUPAC name of N'-(N-benzyl-C-dibenzofuran-4-ylcarbonimidoyl)-4-phenyldibenzofuran-1-carboximidamide?
The IUPAC name of N'-(N-benzyl-C-dibenzofuran-4-ylcarbonimidoyl)-4-phenyldibenzofuran-1-carboximidamide (CID 167008229) is N'-(N-benzyl-C-dibenzofuran-4-ylcarbonimidoyl)-4-phenyldibenzofuran-1-carboximidamide.
What is the SMILES notation for N'-(N-benzyl-C-dibenzofuran-4-ylcarbonimidoyl)-4-phenyldibenzofuran-1-carboximidamide?
The canonical SMILES for N'-(N-benzyl-C-dibenzofuran-4-ylcarbonimidoyl)-4-phenyldibenzofuran-1-carboximidamide is N/C(=N\C(=N\Cc1ccccc1)c1cccc2c1oc1ccccc12)c1ccc(-c2ccccc2)c2oc3ccccc3c12.
What is the InChIKey of N'-(N-benzyl-C-dibenzofuran-4-ylcarbonimidoyl)-4-phenyldibenzofuran-1-carboximidamide?
The InChIKey is LVZOWVNSJFVBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H27N3O2/c40-38(31-23-22-27(26-14-5-2-6-15-26)37-35(31)30-17-8-10-21-34(30)44-37)42-39(41-24-25-12-3-1-4-13-25)32-19-11-18-29-28-16-7-9-20-33(28)43-36(29)32/h1-23H,24H2,(H2,40,41,42).
What are the key properties of N'-(N-benzyl-C-dibenzofuran-4-ylcarbonimidoyl)-4-phenyldibenzofuran-1-carboximidamide?
N'-(N-benzyl-C-dibenzofuran-4-ylcarbonimidoyl)-4-phenyldibenzofuran-1-carboximidamide has a molecular weight of 569.66 g/mol, XLogP of 9.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(N-benzyl-C-dibenzofuran-4-ylcarbonimidoyl)-4-phenyldibenzofuran-1-carboximidamide is sourced from PubChem (CID 167008229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).