N'-[N-[(6-dibenzofuran-2-yldibenzofuran-1-yl)methyl]-C-phenylcarbonimidoyl]benzenecarboximidamide

C39H27N3O2 — CID 166988217

IUPACN'-[N-[(6-dibenzofuran-2-yldibenzofuran-1-yl)methyl]-C-phenylcarbonimidoyl]benzenecarboximidamide
SMILESN/C(=N\C(=N/Cc1cccc2oc3c(-c4ccc5oc6ccccc6c5c4)cccc3c12)c1ccccc1)c1ccccc1
InChIInChI=1S/C39H27N3O2/c40-38(25-11-3-1-4-12-25)42-39(26-13-5-2-6-14-26)41-24-28-15-9-20-35-36(28)31-18-10-17-29(37(31)44-35)27-21-22-34-32(23-27)30-16-7-8-19-33(30)43-34/h1-23H,24H2,(H2,40,41,42)
InChIKeyNVGQDHOFPYMVJK-UHFFFAOYSA-N
MW569.66 g/mol
LogP9.50
Rot. Bonds5

About N'-[N-[(6-dibenzofuran-2-yldibenzofuran-1-yl)methyl]-C-phenylcarbonimidoyl]benzenecarboximidamide

N'-[N-[(6-dibenzofuran-2-yldibenzofuran-1-yl)methyl]-C-phenylcarbonimidoyl]benzenecarboximidamide (PubChem CID 166988217) has the molecular formula C39H27N3O2 and a molecular weight of 569.66 g/mol. Its IUPAC name is N'-[N-[(6-dibenzofuran-2-yldibenzofuran-1-yl)methyl]-C-phenylcarbonimidoyl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-[N-[(6-dibenzofuran-2-yldibenzofuran-1-yl)methyl]-C-phenylcarbonimidoyl]benzenecarboximidamide
PubChem CID166988217
Molecular FormulaC39H27N3O2
Molecular Weight569.66 g/mol
Exact Mass569.21
IUPAC NameN'-[N-[(6-dibenzofuran-2-yldibenzofuran-1-yl)methyl]-C-phenylcarbonimidoyl]benzenecarboximidamide
SMILESN/C(=N\C(=N/Cc1cccc2oc3c(-c4ccc5oc6ccccc6c5c4)cccc3c12)c1ccccc1)c1ccccc1
InChIInChI=1S/C39H27N3O2/c40-38(25-11-3-1-4-12-25)42-39(26-13-5-2-6-14-26)41-24-28-15-9-20-35-36(28)31-18-10-17-29(37(31)44-35)27-21-22-34-32(23-27)30-16-7-8-19-33(30)43-34/h1-23H,24H2,(H2,40,41,42)
InChIKeyNVGQDHOFPYMVJK-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

7-dibenzofuran-1-yl-N'-[N-(dibenzofuran-1-ylmethyl)-C-phenylcarbonimidoyl]naphthalene-2-carboximidamide
CID 170243820
N-[amino(phenyl)methylidene]-N'-[[2-(3-dibenzofuran-4-ylcarbazol-9-yl)phenyl]methyl]-4-phenylbenzenecarboximidamide
CID 170131255
N'-[N-[(8-dibenzothiophen-4-yldibenzofuran-1-yl)methyl]-C-phenylcarbonimidoyl]dibenzofuran-1-carboximidamide
CID 170145480
N'-[N-[(8-dibenzofuran-4-yldibenzothiophen-4-yl)methyl]-C-phenylcarbonimidoyl]dibenzothiophene-4-carboximidamide
CID 146542421
N-[amino(phenyl)methylidene]-3-naphtho[1,2-b][1]benzofuran-4-yl-N'-[(4-phenylphenyl)methyl]benzenecarboximidamide
CID 177112541
N-[amino-(3-phenylphenyl)methylidene]-N'-(dibenzofuran-1-ylmethyl)-6-phenylnaphthalene-2-carboximidamide
CID 171587185
N'-[C-naphthalen-2-yl-N-[[8-(3-phenylphenyl)dibenzofuran-1-yl]methyl]carbonimidoyl]dibenzofuran-3-carboximidamide
CID 170246169
N'-[N-[[3-(4-naphtho[2,3-b][1]benzofuran-6-ylphenyl)naphthalen-2-yl]methyl]-C-phenylcarbonimidoyl]benzenecarboximidamide
CID 135247152
CID 174062450
CID 174062450
N'-[C-(3-methylcyclohexa-1,5-dien-1-yl)-N-[(8-naphthalen-2-yldibenzofuran-1-yl)methyl]carbonimidoyl]-4-naphthalen-1-ylbenzenecarboximidamide
CID 170125500
N'-[(8-hydroxydibenzofuran-1-yl)methyl]benzenecarboximidamide
CID 153369404
N-[amino-(4-phenylphenyl)methylidene]-N'-(dibenzofuran-3-ylmethyl)-4-methylbenzenecarboximidamide
CID 162363127

Frequently Asked Questions

What is the IUPAC name of N'-[N-[(6-dibenzofuran-2-yldibenzofuran-1-yl)methyl]-C-phenylcarbonimidoyl]benzenecarboximidamide?
The IUPAC name of N'-[N-[(6-dibenzofuran-2-yldibenzofuran-1-yl)methyl]-C-phenylcarbonimidoyl]benzenecarboximidamide (CID 166988217) is N'-[N-[(6-dibenzofuran-2-yldibenzofuran-1-yl)methyl]-C-phenylcarbonimidoyl]benzenecarboximidamide.
What is the SMILES notation for N'-[N-[(6-dibenzofuran-2-yldibenzofuran-1-yl)methyl]-C-phenylcarbonimidoyl]benzenecarboximidamide?
The canonical SMILES for N'-[N-[(6-dibenzofuran-2-yldibenzofuran-1-yl)methyl]-C-phenylcarbonimidoyl]benzenecarboximidamide is N/C(=N\C(=N/Cc1cccc2oc3c(-c4ccc5oc6ccccc6c5c4)cccc3c12)c1ccccc1)c1ccccc1.
What is the InChIKey of N'-[N-[(6-dibenzofuran-2-yldibenzofuran-1-yl)methyl]-C-phenylcarbonimidoyl]benzenecarboximidamide?
The InChIKey is NVGQDHOFPYMVJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H27N3O2/c40-38(25-11-3-1-4-12-25)42-39(26-13-5-2-6-14-26)41-24-28-15-9-20-35-36(28)31-18-10-17-29(37(31)44-35)27-21-22-34-32(23-27)30-16-7-8-19-33(30)43-34/h1-23H,24H2,(H2,40,41,42).
What are the key properties of N'-[N-[(6-dibenzofuran-2-yldibenzofuran-1-yl)methyl]-C-phenylcarbonimidoyl]benzenecarboximidamide?
N'-[N-[(6-dibenzofuran-2-yldibenzofuran-1-yl)methyl]-C-phenylcarbonimidoyl]benzenecarboximidamide 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-[(6-dibenzofuran-2-yldibenzofuran-1-yl)methyl]-C-phenylcarbonimidoyl]benzenecarboximidamide is sourced from PubChem (CID 166988217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).