N-methylidene-N'-[C-phenyl-N-[(8-phenylnaphtho[1,2-b][1]benzofuran-5-yl)methyl]carbonimidoyl]chrysene-2-carboximidamide

C50H33N3O — CID 167143559

IUPACN-methylidene-N'-[C-phenyl-N-[(8-phenylnaphtho[1,2-b][1]benzofuran-5-yl)methyl]carbonimidoyl]chrysene-2-carboximidamide
SMILESC=N/C(=N\C(=N\Cc1cc2c3cc(-c4ccccc4)ccc3oc2c2ccccc12)c1ccccc1)c1ccc2c(ccc3c4ccccc4ccc23)c1
InChIInChI=1S/C50H33N3O/c1-51-49(37-22-24-41-36(28-37)21-26-42-39-17-9-8-14-33(39)20-25-43(41)42)53-50(34-15-6-3-7-16-34)52-31-38-30-46-45-29-35(32-12-4-2-5-13-32)23-27-47(45)54-48(46)44-19-11-10-18-40(38)44/h2-30H,1,31H2/b52-50+,53-49-
InChIKeyILGFOISMSIWCKM-ZWOSEJDRSA-N
MW691.83 g/mol
LogP12.96
Rot. Bonds5

About N-methylidene-N'-[C-phenyl-N-[(8-phenylnaphtho[1,2-b][1]benzofuran-5-yl)methyl]carbonimidoyl]chrysene-2-carboximidamide

N-methylidene-N'-[C-phenyl-N-[(8-phenylnaphtho[1,2-b][1]benzofuran-5-yl)methyl]carbonimidoyl]chrysene-2-carboximidamide (PubChem CID 167143559) has the molecular formula C50H33N3O and a molecular weight of 691.83 g/mol. Its IUPAC name is N-methylidene-N'-[C-phenyl-N-[(8-phenylnaphtho[1,2-b][1]benzofuran-5-yl)methyl]carbonimidoyl]chrysene-2-carboximidamide.

Molecular Properties

Compound NameN-methylidene-N'-[C-phenyl-N-[(8-phenylnaphtho[1,2-b][1]benzofuran-5-yl)methyl]carbonimidoyl]chrysene-2-carboximidamide
PubChem CID167143559
Molecular FormulaC50H33N3O
Molecular Weight691.83 g/mol
Exact Mass691.26
IUPAC NameN-methylidene-N'-[C-phenyl-N-[(8-phenylnaphtho[1,2-b][1]benzofuran-5-yl)methyl]carbonimidoyl]chrysene-2-carboximidamide
SMILESC=N/C(=N\C(=N\Cc1cc2c3cc(-c4ccccc4)ccc3oc2c2ccccc12)c1ccccc1)c1ccc2c(ccc3c4ccccc4ccc23)c1
InChIInChI=1S/C50H33N3O/c1-51-49(37-22-24-41-36(28-37)21-26-42-39-17-9-8-14-33(39)20-25-43(41)42)53-50(34-15-6-3-7-16-34)52-31-38-30-46-45-29-35(32-12-4-2-5-13-32)23-27-47(45)54-48(46)44-19-11-10-18-40(38)44/h2-30H,1,31H2/b52-50+,53-49-
InChIKeyILGFOISMSIWCKM-ZWOSEJDRSA-N
XLogP12.96
TPSA50.22 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500691.83
LogP ≤ 512.96
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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze N-methylidene-N'-[C-phenyl-N-[(8-phenylnaphtho[1,2-b][1]benzofuran-5-yl)methyl]carbonimidoyl]chrysene-2-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'-(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-[(methylideneamino)-[3-[3-(3-naphtho[2,1-b][1]benzofuran-10-ylphenyl)phenyl]phenyl]methylidene]-N'-(naphthalen-1-ylmethyl)naphthalene-1-carboximidamide
CID 142293865
N'-benzyl-N-[1-(methylideneamino)-2-[2-[(1E)-2-phenanthren-2-ylbuta-1,3-dienyl]-1-benzofuran-3-yl]ethylidene]-4-phenylbenzenecarboximidamide
CID 170423246
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'-[(4-dibenzofuran-1-ylnaphthalen-2-yl)methyl]-N-[(methylideneamino)-phenylmethylidene]naphthalene-2-carboximidamide
CID 170424013
N'-[C-naphthalen-2-yl-N-[[8-(3-phenylphenyl)dibenzofuran-1-yl]methyl]carbonimidoyl]dibenzofuran-3-carboximidamide
CID 170246169
N'-[N-[[3-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]phenyl]methyl]-C-phenylcarbonimidoyl]-N-methylidenebenzenecarboximidamide
CID 170136856
N'-(N-benzyl-C-dibenzofuran-3-ylcarbonimidoyl)-N-methylidene-6-phenanthren-9-yldibenzofuran-1-carboximidamide
CID 170423774
N-methylidene-N'-[C-phenyl-N-[[6-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]dibenzofuran-4-yl]methyl]carbonimidoyl]benzenecarboximidamide
CID 144781998
N-[amino-(3-phenylphenyl)methylidene]-N'-(dibenzofuran-1-ylmethyl)-6-phenylnaphthalene-2-carboximidamide
CID 171587185

Frequently Asked Questions

What is the IUPAC name of N-methylidene-N'-[C-phenyl-N-[(8-phenylnaphtho[1,2-b][1]benzofuran-5-yl)methyl]carbonimidoyl]chrysene-2-carboximidamide?
The IUPAC name of N-methylidene-N'-[C-phenyl-N-[(8-phenylnaphtho[1,2-b][1]benzofuran-5-yl)methyl]carbonimidoyl]chrysene-2-carboximidamide (CID 167143559) is N-methylidene-N'-[C-phenyl-N-[(8-phenylnaphtho[1,2-b][1]benzofuran-5-yl)methyl]carbonimidoyl]chrysene-2-carboximidamide.
What is the SMILES notation for N-methylidene-N'-[C-phenyl-N-[(8-phenylnaphtho[1,2-b][1]benzofuran-5-yl)methyl]carbonimidoyl]chrysene-2-carboximidamide?
The canonical SMILES for N-methylidene-N'-[C-phenyl-N-[(8-phenylnaphtho[1,2-b][1]benzofuran-5-yl)methyl]carbonimidoyl]chrysene-2-carboximidamide is C=N/C(=N\C(=N\Cc1cc2c3cc(-c4ccccc4)ccc3oc2c2ccccc12)c1ccccc1)c1ccc2c(ccc3c4ccccc4ccc23)c1.
What is the InChIKey of N-methylidene-N'-[C-phenyl-N-[(8-phenylnaphtho[1,2-b][1]benzofuran-5-yl)methyl]carbonimidoyl]chrysene-2-carboximidamide?
The InChIKey is ILGFOISMSIWCKM-ZWOSEJDRSA-N. The full InChI is InChI=1S/C50H33N3O/c1-51-49(37-22-24-41-36(28-37)21-26-42-39-17-9-8-14-33(39)20-25-43(41)42)53-50(34-15-6-3-7-16-34)52-31-38-30-46-45-29-35(32-12-4-2-5-13-32)23-27-47(45)54-48(46)44-19-11-10-18-40(38)44/h2-30H,1,31H2/b52-50+,53-49-.
What are the key properties of N-methylidene-N'-[C-phenyl-N-[(8-phenylnaphtho[1,2-b][1]benzofuran-5-yl)methyl]carbonimidoyl]chrysene-2-carboximidamide?
N-methylidene-N'-[C-phenyl-N-[(8-phenylnaphtho[1,2-b][1]benzofuran-5-yl)methyl]carbonimidoyl]chrysene-2-carboximidamide has a molecular weight of 691.83 g/mol, XLogP of 12.96, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylidene-N'-[C-phenyl-N-[(8-phenylnaphtho[1,2-b][1]benzofuran-5-yl)methyl]carbonimidoyl]chrysene-2-carboximidamide is sourced from PubChem (CID 167143559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).