N'-[[4-(1,9b-dihydrodibenzofuran-3-yl)phenyl]methyl]-N-[cyclohexa-1,5-dien-1-yl-(methylideneamino)methylidene]-10-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-carboximidamide

C56H41N3O2 — CID 170019841

IUPACN'-[[4-(1,9b-dihydrodibenzofuran-3-yl)phenyl]methyl]-N-[cyclohexa-1,5-dien-1-yl-(methylideneamino)methylidene]-10-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-carboximidamide
SMILESC=N/C(=N\C(=N/Cc1ccc(C2=CCC3C(=C2)Oc2ccccc23)cc1)c1cc(-c2cccc(-c3ccccc3)c2)c2oc3c4ccccc4ccc3c2c1)C1=CCCC=C1
InChIInChI=1S/C56H41N3O2/c1-57-55(40-16-6-3-7-17-40)59-56(58-35-36-23-25-38(26-24-36)42-28-29-47-46-21-10-11-22-51(46)60-52(47)34-42)44-32-49(43-19-12-18-41(31-43)37-13-4-2-5-14-37)54-50(33-44)48-30-27-39-15-8-9-20-45(39)53(48)61-54/h2,4-6,8-28,30-34,47H,1,3,7,29,35H2/b58-56-,59-55-
InChIKeyIQVIIFYHXYSMAH-IBEWOBRTSA-N
MW787.96 g/mol
LogP14.24
Rot. Bonds7

About N'-[[4-(1,9b-dihydrodibenzofuran-3-yl)phenyl]methyl]-N-[cyclohexa-1,5-dien-1-yl-(methylideneamino)methylidene]-10-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-carboximidamide

N'-[[4-(1,9b-dihydrodibenzofuran-3-yl)phenyl]methyl]-N-[cyclohexa-1,5-dien-1-yl-(methylideneamino)methylidene]-10-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-carboximidamide (PubChem CID 170019841) has the molecular formula C56H41N3O2 and a molecular weight of 787.96 g/mol. Its IUPAC name is N'-[[4-(1,9b-dihydrodibenzofuran-3-yl)phenyl]methyl]-N-[cyclohexa-1,5-dien-1-yl-(methylideneamino)methylidene]-10-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-carboximidamide.

Molecular Properties

Compound NameN'-[[4-(1,9b-dihydrodibenzofuran-3-yl)phenyl]methyl]-N-[cyclohexa-1,5-dien-1-yl-(methylideneamino)methylidene]-10-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-carboximidamide
PubChem CID170019841
Molecular FormulaC56H41N3O2
Molecular Weight787.96 g/mol
Exact Mass787.32
IUPAC NameN'-[[4-(1,9b-dihydrodibenzofuran-3-yl)phenyl]methyl]-N-[cyclohexa-1,5-dien-1-yl-(methylideneamino)methylidene]-10-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-carboximidamide
SMILESC=N/C(=N\C(=N/Cc1ccc(C2=CCC3C(=C2)Oc2ccccc23)cc1)c1cc(-c2cccc(-c3ccccc3)c2)c2oc3c4ccccc4ccc3c2c1)C1=CCCC=C1
InChIInChI=1S/C56H41N3O2/c1-57-55(40-16-6-3-7-17-40)59-56(58-35-36-23-25-38(26-24-36)42-28-29-47-46-21-10-11-22-51(46)60-52(47)34-42)44-32-49(43-19-12-18-41(31-43)37-13-4-2-5-14-37)54-50(33-44)48-30-27-39-15-8-9-20-45(39)53(48)61-54/h2,4-6,8-28,30-34,47H,1,3,7,29,35H2/b58-56-,59-55-
InChIKeyIQVIIFYHXYSMAH-IBEWOBRTSA-N
XLogP14.24
TPSA59.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500787.96
LogP ≤ 514.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N'-[[4-(1,9b-dihydrodibenzofuran-3-yl)phenyl]methyl]-N-[cyclohexa-1,5-dien-1-yl-(methylideneamino)methylidene]-10-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-carboximidamide with MolForge

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Related Compounds

4-[9-[4-(1,9b-dihydrodibenzofuran-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-yl]-6-phenyl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine
CID 163831791
N-methylidene-N'-[C-phenyl-N-[(8-phenylnaphtho[1,2-b][1]benzofuran-5-yl)methyl]carbonimidoyl]chrysene-2-carboximidamide
CID 167143559
N-methylidene-N'-[[3-[2-[2-(3-phenylnaphthalen-2-yl)phenyl]phenyl]phenyl]methyl]cyclohexa-1,5-diene-1-carboximidamide
CID 174316786
N'-(N-benzyl-C-phenylcarbonimidoyl)-8-[4-(N-(4-dibenzofuran-4-ylphenyl)-4-phenylanilino)phenyl]-N-methylidenedibenzofuran-1-carboximidamide
CID 142427293
N'-(N-benzyl-C-naphthalen-2-ylcarbonimidoyl)-N-methylidene-4-(4-naphthalen-1-ylphenyl)dibenzofuran-1-carboximidamide
CID 170423096
N'-[C-dibenzofuran-1-yl-N-(naphthalen-2-ylmethyl)carbonimidoyl]-N-methylidene-8-(3-phenylphenyl)dibenzofuran-1-carboximidamide
CID 170423799
N'-(N-benzyl-C-phenylcarbonimidoyl)-N-methylidene-8-phenanthren-2-yldibenzofuran-1-carboximidamide
CID 170423152
N'-benzyl-4-dibenzofuran-3-yl-N-[(methylideneamino)-phenylmethylidene]benzenecarboximidamide
CID 146395700
N-[amino(phenyl)methylidene]-3-naphtho[1,2-b][1]benzofuran-4-yl-N'-[(4-phenylphenyl)methyl]benzenecarboximidamide
CID 177112541
N-methylidene-N'-[C-phenyl-N-[[6-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]dibenzofuran-4-yl]methyl]carbonimidoyl]benzenecarboximidamide
CID 144781998
N-[(methylideneamino)-(6-phenylnaphthalen-2-yl)methylidene]-N'-(naphthalen-2-ylmethyl)-5-phenylnaphtho[2,1-b][1]benzofuran-11-carboximidamide
CID 167144365
10-[3-[3-[(4-phenylphenyl)methyl]phenyl]phenyl]naphtho[1,2-b][1]benzofuran;toluene
CID 142294282

Frequently Asked Questions

What is the IUPAC name of N'-[[4-(1,9b-dihydrodibenzofuran-3-yl)phenyl]methyl]-N-[cyclohexa-1,5-dien-1-yl-(methylideneamino)methylidene]-10-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-carboximidamide?
The IUPAC name of N'-[[4-(1,9b-dihydrodibenzofuran-3-yl)phenyl]methyl]-N-[cyclohexa-1,5-dien-1-yl-(methylideneamino)methylidene]-10-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-carboximidamide (CID 170019841) is N'-[[4-(1,9b-dihydrodibenzofuran-3-yl)phenyl]methyl]-N-[cyclohexa-1,5-dien-1-yl-(methylideneamino)methylidene]-10-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-carboximidamide.
What is the SMILES notation for N'-[[4-(1,9b-dihydrodibenzofuran-3-yl)phenyl]methyl]-N-[cyclohexa-1,5-dien-1-yl-(methylideneamino)methylidene]-10-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-carboximidamide?
The canonical SMILES for N'-[[4-(1,9b-dihydrodibenzofuran-3-yl)phenyl]methyl]-N-[cyclohexa-1,5-dien-1-yl-(methylideneamino)methylidene]-10-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-carboximidamide is C=N/C(=N\C(=N/Cc1ccc(C2=CCC3C(=C2)Oc2ccccc23)cc1)c1cc(-c2cccc(-c3ccccc3)c2)c2oc3c4ccccc4ccc3c2c1)C1=CCCC=C1.
What is the InChIKey of N'-[[4-(1,9b-dihydrodibenzofuran-3-yl)phenyl]methyl]-N-[cyclohexa-1,5-dien-1-yl-(methylideneamino)methylidene]-10-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-carboximidamide?
The InChIKey is IQVIIFYHXYSMAH-IBEWOBRTSA-N. The full InChI is InChI=1S/C56H41N3O2/c1-57-55(40-16-6-3-7-17-40)59-56(58-35-36-23-25-38(26-24-36)42-28-29-47-46-21-10-11-22-51(46)60-52(47)34-42)44-32-49(43-19-12-18-41(31-43)37-13-4-2-5-14-37)54-50(33-44)48-30-27-39-15-8-9-20-45(39)53(48)61-54/h2,4-6,8-28,30-34,47H,1,3,7,29,35H2/b58-56-,59-55-.
What are the key properties of N'-[[4-(1,9b-dihydrodibenzofuran-3-yl)phenyl]methyl]-N-[cyclohexa-1,5-dien-1-yl-(methylideneamino)methylidene]-10-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-carboximidamide?
N'-[[4-(1,9b-dihydrodibenzofuran-3-yl)phenyl]methyl]-N-[cyclohexa-1,5-dien-1-yl-(methylideneamino)methylidene]-10-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-carboximidamide has a molecular weight of 787.96 g/mol, XLogP of 14.24, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[4-(1,9b-dihydrodibenzofuran-3-yl)phenyl]methyl]-N-[cyclohexa-1,5-dien-1-yl-(methylideneamino)methylidene]-10-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-carboximidamide is sourced from PubChem (CID 170019841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).