7-dibenzofuran-1-yl-N'-[N-(dibenzofuran-1-ylmethyl)-C-phenylcarbonimidoyl]naphthalene-2-carboximidamide

C43H29N3O2 — CID 170243820

IUPAC7-dibenzofuran-1-yl-N'-[N-(dibenzofuran-1-ylmethyl)-C-phenylcarbonimidoyl]naphthalene-2-carboximidamide
SMILESN/C(=N\C(=N\Cc1cccc2oc3ccccc3c12)c1ccccc1)c1ccc2ccc(-c3cccc4oc5ccccc5c34)cc2c1
InChIInChI=1S/C43H29N3O2/c44-42(46-43(28-10-2-1-3-11-28)45-26-31-12-8-18-38-40(31)34-13-4-6-16-36(34)47-38)30-23-21-27-20-22-29(24-32(27)25-30)33-15-9-19-39-41(33)35-14-5-7-17-37(35)48-39/h1-25H,26H2,(H2,44,45,46)
InChIKeyMPVUMLORBMDHEM-UHFFFAOYSA-N
MW619.72 g/mol
LogP10.66
Rot. Bonds5

About 7-dibenzofuran-1-yl-N'-[N-(dibenzofuran-1-ylmethyl)-C-phenylcarbonimidoyl]naphthalene-2-carboximidamide

7-dibenzofuran-1-yl-N'-[N-(dibenzofuran-1-ylmethyl)-C-phenylcarbonimidoyl]naphthalene-2-carboximidamide (PubChem CID 170243820) has the molecular formula C43H29N3O2 and a molecular weight of 619.72 g/mol. Its IUPAC name is 7-dibenzofuran-1-yl-N'-[N-(dibenzofuran-1-ylmethyl)-C-phenylcarbonimidoyl]naphthalene-2-carboximidamide.

Molecular Properties

Compound Name7-dibenzofuran-1-yl-N'-[N-(dibenzofuran-1-ylmethyl)-C-phenylcarbonimidoyl]naphthalene-2-carboximidamide
PubChem CID170243820
Molecular FormulaC43H29N3O2
Molecular Weight619.72 g/mol
Exact Mass619.23
IUPAC Name7-dibenzofuran-1-yl-N'-[N-(dibenzofuran-1-ylmethyl)-C-phenylcarbonimidoyl]naphthalene-2-carboximidamide
SMILESN/C(=N\C(=N\Cc1cccc2oc3ccccc3c12)c1ccccc1)c1ccc2ccc(-c3cccc4oc5ccccc5c34)cc2c1
InChIInChI=1S/C43H29N3O2/c44-42(46-43(28-10-2-1-3-11-28)45-26-31-12-8-18-38-40(31)34-13-4-6-16-36(34)47-38)30-23-21-27-20-22-29(24-32(27)25-30)33-15-9-19-39-41(33)35-14-5-7-17-37(35)48-39/h1-25H,26H2,(H2,44,45,46)
InChIKeyMPVUMLORBMDHEM-UHFFFAOYSA-N
XLogP10.66
TPSA77.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.72
LogP ≤ 510.66
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-[amino-(3-phenylphenyl)methylidene]-N'-(dibenzofuran-1-ylmethyl)-6-phenylnaphthalene-2-carboximidamide
CID 171587185
N'-[N-[(6-dibenzofuran-2-yldibenzofuran-1-yl)methyl]-C-phenylcarbonimidoyl]benzenecarboximidamide
CID 166988217
N'-[C-naphthalen-2-yl-N-[[8-(3-phenylphenyl)dibenzofuran-1-yl]methyl]carbonimidoyl]dibenzofuran-3-carboximidamide
CID 170246169
N'-[N-[(8-dibenzothiophen-4-yldibenzofuran-1-yl)methyl]-C-phenylcarbonimidoyl]dibenzofuran-1-carboximidamide
CID 170145480
N'-(N-benzyl-C-naphthalen-2-ylcarbonimidoyl)-9-naphthalen-2-yldibenzofuran-1-carboximidamide
CID 170218964
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'-[(4-dibenzofuran-1-ylnaphthalen-2-yl)methyl]-N-[(methylideneamino)-phenylmethylidene]naphthalene-2-carboximidamide
CID 170424013
N-[amino(phenyl)methylidene]-3-naphtho[1,2-b][1]benzofuran-4-yl-N'-[(4-phenylphenyl)methyl]benzenecarboximidamide
CID 177112541
N'-[N-[(8-dibenzofuran-4-yldibenzothiophen-4-yl)methyl]-C-phenylcarbonimidoyl]dibenzothiophene-4-carboximidamide
CID 146542421
N'-[N-[[3-(4-naphtho[2,3-b][1]benzofuran-6-ylphenyl)naphthalen-2-yl]methyl]-C-phenylcarbonimidoyl]benzenecarboximidamide
CID 135247152
2-dibenzofuran-1-yl-4-(7-dibenzofuran-1-ylnaphthalen-2-yl)-6-naphthalen-2-yl-1,3,5-triazine
CID 167008364
9-naphtho[2,3-b][1]benzofuran-2-yl-N'-[C-phenyl-N-[(4-phenylphenyl)methyl]carbonimidoyl]-3,4-dihydrodibenzofuran-1-carboximidamide
CID 170145272

Frequently Asked Questions

What is the IUPAC name of 7-dibenzofuran-1-yl-N'-[N-(dibenzofuran-1-ylmethyl)-C-phenylcarbonimidoyl]naphthalene-2-carboximidamide?
The IUPAC name of 7-dibenzofuran-1-yl-N'-[N-(dibenzofuran-1-ylmethyl)-C-phenylcarbonimidoyl]naphthalene-2-carboximidamide (CID 170243820) is 7-dibenzofuran-1-yl-N'-[N-(dibenzofuran-1-ylmethyl)-C-phenylcarbonimidoyl]naphthalene-2-carboximidamide.
What is the SMILES notation for 7-dibenzofuran-1-yl-N'-[N-(dibenzofuran-1-ylmethyl)-C-phenylcarbonimidoyl]naphthalene-2-carboximidamide?
The canonical SMILES for 7-dibenzofuran-1-yl-N'-[N-(dibenzofuran-1-ylmethyl)-C-phenylcarbonimidoyl]naphthalene-2-carboximidamide is N/C(=N\C(=N\Cc1cccc2oc3ccccc3c12)c1ccccc1)c1ccc2ccc(-c3cccc4oc5ccccc5c34)cc2c1.
What is the InChIKey of 7-dibenzofuran-1-yl-N'-[N-(dibenzofuran-1-ylmethyl)-C-phenylcarbonimidoyl]naphthalene-2-carboximidamide?
The InChIKey is MPVUMLORBMDHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H29N3O2/c44-42(46-43(28-10-2-1-3-11-28)45-26-31-12-8-18-38-40(31)34-13-4-6-16-36(34)47-38)30-23-21-27-20-22-29(24-32(27)25-30)33-15-9-19-39-41(33)35-14-5-7-17-37(35)48-39/h1-25H,26H2,(H2,44,45,46).
What are the key properties of 7-dibenzofuran-1-yl-N'-[N-(dibenzofuran-1-ylmethyl)-C-phenylcarbonimidoyl]naphthalene-2-carboximidamide?
7-dibenzofuran-1-yl-N'-[N-(dibenzofuran-1-ylmethyl)-C-phenylcarbonimidoyl]naphthalene-2-carboximidamide has a molecular weight of 619.72 g/mol, XLogP of 10.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-dibenzofuran-1-yl-N'-[N-(dibenzofuran-1-ylmethyl)-C-phenylcarbonimidoyl]naphthalene-2-carboximidamide is sourced from PubChem (CID 170243820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).