N-[(methylideneamino)-[3-[3-(3-naphtho[2,1-b][1]benzofuran-10-ylphenyl)phenyl]phenyl]methylidene]-N'-(naphthalen-1-ylmethyl)naphthalene-1-carboximidamide

C58H39N3O — CID 142293865

IUPACN-[(methylideneamino)-[3-[3-(3-naphtho[2,1-b][1]benzofuran-10-ylphenyl)phenyl]phenyl]methylidene]-N'-(naphthalen-1-ylmethyl)naphthalene-1-carboximidamide
SMILESC=N/C(=N/C(=N/Cc1cccc2ccccc12)c1cccc2ccccc12)c1cccc(-c2cccc(-c3cccc(-c4ccc5oc6ccc7ccccc7c6c5c4)c3)c2)c1
InChIInChI=1S/C58H39N3O/c1-59-57(61-58(52-28-12-17-39-14-3-6-26-50(39)52)60-37-48-24-8-16-38-13-2-5-25-49(38)48)47-23-11-22-45(35-47)43-20-9-18-41(33-43)42-19-10-21-44(34-42)46-30-31-54-53(36-46)56-51-27-7-4-15-40(51)29-32-55(56)62-54/h2-36H,1,37H2/b60-58+,61-57+
InChIKeyHWQYZESJKODBAY-IKVIDZGHSA-N
MW793.97 g/mol
LogP15.14
Rot. Bonds7

About N-[(methylideneamino)-[3-[3-(3-naphtho[2,1-b][1]benzofuran-10-ylphenyl)phenyl]phenyl]methylidene]-N'-(naphthalen-1-ylmethyl)naphthalene-1-carboximidamide

N-[(methylideneamino)-[3-[3-(3-naphtho[2,1-b][1]benzofuran-10-ylphenyl)phenyl]phenyl]methylidene]-N'-(naphthalen-1-ylmethyl)naphthalene-1-carboximidamide (PubChem CID 142293865) has the molecular formula C58H39N3O and a molecular weight of 793.97 g/mol. Its IUPAC name is N-[(methylideneamino)-[3-[3-(3-naphtho[2,1-b][1]benzofuran-10-ylphenyl)phenyl]phenyl]methylidene]-N'-(naphthalen-1-ylmethyl)naphthalene-1-carboximidamide.

Molecular Properties

Compound NameN-[(methylideneamino)-[3-[3-(3-naphtho[2,1-b][1]benzofuran-10-ylphenyl)phenyl]phenyl]methylidene]-N'-(naphthalen-1-ylmethyl)naphthalene-1-carboximidamide
PubChem CID142293865
Molecular FormulaC58H39N3O
Molecular Weight793.97 g/mol
Exact Mass793.31
IUPAC NameN-[(methylideneamino)-[3-[3-(3-naphtho[2,1-b][1]benzofuran-10-ylphenyl)phenyl]phenyl]methylidene]-N'-(naphthalen-1-ylmethyl)naphthalene-1-carboximidamide
SMILESC=N/C(=N/C(=N/Cc1cccc2ccccc12)c1cccc2ccccc12)c1cccc(-c2cccc(-c3cccc(-c4ccc5oc6ccc7ccccc7c6c5c4)c3)c2)c1
InChIInChI=1S/C58H39N3O/c1-59-57(61-58(52-28-12-17-39-14-3-6-26-50(39)52)60-37-48-24-8-16-38-13-2-5-25-49(38)48)47-23-11-22-45(35-47)43-20-9-18-41(33-43)42-19-10-21-44(34-42)46-30-31-54-53(36-46)56-51-27-7-4-15-40(51)29-32-55(56)62-54/h2-36H,1,37H2/b60-58+,61-57+
InChIKeyHWQYZESJKODBAY-IKVIDZGHSA-N
XLogP15.14
TPSA50.22 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500793.97
LogP ≤ 515.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(methylideneamino)-[3-[3-(3-naphtho[2,1-b][1]benzofuran-10-ylphenyl)phenyl]phenyl]methylidene]-N'-(naphthalen-1-ylmethyl)naphthalene-1-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-methylidene-N'-[C-phenyl-N-[(8-phenylnaphtho[1,2-b][1]benzofuran-5-yl)methyl]carbonimidoyl]chrysene-2-carboximidamide
CID 167143559
N-[(methylideneamino)-(6-phenylnaphthalen-2-yl)methylidene]-N'-(naphthalen-2-ylmethyl)-5-phenylnaphtho[2,1-b][1]benzofuran-11-carboximidamide
CID 167144365
N'-[C-naphthalen-2-yl-N-[[8-(3-phenylphenyl)dibenzofuran-1-yl]methyl]carbonimidoyl]dibenzofuran-3-carboximidamide
CID 170246169
N'-(N-benzyl-C-phenanthren-2-ylcarbonimidoyl)-8-cyclohepta-1,4,6-trien-1-yl-N-methylidenedibenzofuran-1-carboximidamide
CID 167008222
N'-(N-benzyl-C-phenylcarbonimidoyl)-8-[4-(N-(4-dibenzofuran-4-ylphenyl)-4-phenylanilino)phenyl]-N-methylidenedibenzofuran-1-carboximidamide
CID 142427293
N-[amino-(3-phenylphenyl)methylidene]-N'-(dibenzofuran-1-ylmethyl)-6-phenylnaphthalene-2-carboximidamide
CID 171587185
N-methylidene-N'-[[8-[2-(3-phenylphenyl)phenyl]dibenzothiophen-1-yl]methyl]dibenzofuran-2-carboximidamide
CID 145447260
2-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-naphtho[2,1-b][1]benzofuran-10-yl-6-phenyl-1,3,5-triazine
CID 154613999
N'-benzyl-4-dibenzofuran-3-yl-N-[(methylideneamino)-phenylmethylidene]benzenecarboximidamide
CID 146395700
10-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran
CID 88568907

Frequently Asked Questions

What is the IUPAC name of N-[(methylideneamino)-[3-[3-(3-naphtho[2,1-b][1]benzofuran-10-ylphenyl)phenyl]phenyl]methylidene]-N'-(naphthalen-1-ylmethyl)naphthalene-1-carboximidamide?
The IUPAC name of N-[(methylideneamino)-[3-[3-(3-naphtho[2,1-b][1]benzofuran-10-ylphenyl)phenyl]phenyl]methylidene]-N'-(naphthalen-1-ylmethyl)naphthalene-1-carboximidamide (CID 142293865) is N-[(methylideneamino)-[3-[3-(3-naphtho[2,1-b][1]benzofuran-10-ylphenyl)phenyl]phenyl]methylidene]-N'-(naphthalen-1-ylmethyl)naphthalene-1-carboximidamide.
What is the SMILES notation for N-[(methylideneamino)-[3-[3-(3-naphtho[2,1-b][1]benzofuran-10-ylphenyl)phenyl]phenyl]methylidene]-N'-(naphthalen-1-ylmethyl)naphthalene-1-carboximidamide?
The canonical SMILES for N-[(methylideneamino)-[3-[3-(3-naphtho[2,1-b][1]benzofuran-10-ylphenyl)phenyl]phenyl]methylidene]-N'-(naphthalen-1-ylmethyl)naphthalene-1-carboximidamide is C=N/C(=N/C(=N/Cc1cccc2ccccc12)c1cccc2ccccc12)c1cccc(-c2cccc(-c3cccc(-c4ccc5oc6ccc7ccccc7c6c5c4)c3)c2)c1.
What is the InChIKey of N-[(methylideneamino)-[3-[3-(3-naphtho[2,1-b][1]benzofuran-10-ylphenyl)phenyl]phenyl]methylidene]-N'-(naphthalen-1-ylmethyl)naphthalene-1-carboximidamide?
The InChIKey is HWQYZESJKODBAY-IKVIDZGHSA-N. The full InChI is InChI=1S/C58H39N3O/c1-59-57(61-58(52-28-12-17-39-14-3-6-26-50(39)52)60-37-48-24-8-16-38-13-2-5-25-49(38)48)47-23-11-22-45(35-47)43-20-9-18-41(33-43)42-19-10-21-44(34-42)46-30-31-54-53(36-46)56-51-27-7-4-15-40(51)29-32-55(56)62-54/h2-36H,1,37H2/b60-58+,61-57+.
What are the key properties of N-[(methylideneamino)-[3-[3-(3-naphtho[2,1-b][1]benzofuran-10-ylphenyl)phenyl]phenyl]methylidene]-N'-(naphthalen-1-ylmethyl)naphthalene-1-carboximidamide?
N-[(methylideneamino)-[3-[3-(3-naphtho[2,1-b][1]benzofuran-10-ylphenyl)phenyl]phenyl]methylidene]-N'-(naphthalen-1-ylmethyl)naphthalene-1-carboximidamide has a molecular weight of 793.97 g/mol, XLogP of 15.14, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(methylideneamino)-[3-[3-(3-naphtho[2,1-b][1]benzofuran-10-ylphenyl)phenyl]phenyl]methylidene]-N'-(naphthalen-1-ylmethyl)naphthalene-1-carboximidamide is sourced from PubChem (CID 142293865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).