N'-[(4-dibenzofuran-1-ylnaphthalen-2-yl)methyl]-N-[(methylideneamino)-phenylmethylidene]naphthalene-2-carboximidamide

C42H29N3O — CID 170424013

IUPACN'-[(4-dibenzofuran-1-ylnaphthalen-2-yl)methyl]-N-[(methylideneamino)-phenylmethylidene]naphthalene-2-carboximidamide
SMILESC=N/C(=N\C(=N/Cc1cc(-c2cccc3oc4ccccc4c23)c2ccccc2c1)c1ccc2ccccc2c1)c1ccccc1
InChIInChI=1S/C42H29N3O/c1-43-41(30-13-3-2-4-14-30)45-42(33-23-22-29-12-5-6-15-31(29)26-33)44-27-28-24-32-16-7-8-17-34(32)37(25-28)35-19-11-21-39-40(35)36-18-9-10-20-38(36)46-39/h2-26H,1,27H2/b44-42-,45-41-
InChIKeyMIYHUSGNKUGOOL-IMMRVUSSSA-N
MW591.71 g/mol
LogP10.65
Rot. Bonds5

About N'-[(4-dibenzofuran-1-ylnaphthalen-2-yl)methyl]-N-[(methylideneamino)-phenylmethylidene]naphthalene-2-carboximidamide

N'-[(4-dibenzofuran-1-ylnaphthalen-2-yl)methyl]-N-[(methylideneamino)-phenylmethylidene]naphthalene-2-carboximidamide (PubChem CID 170424013) has the molecular formula C42H29N3O and a molecular weight of 591.71 g/mol. Its IUPAC name is N'-[(4-dibenzofuran-1-ylnaphthalen-2-yl)methyl]-N-[(methylideneamino)-phenylmethylidene]naphthalene-2-carboximidamide.

Molecular Properties

Compound NameN'-[(4-dibenzofuran-1-ylnaphthalen-2-yl)methyl]-N-[(methylideneamino)-phenylmethylidene]naphthalene-2-carboximidamide
PubChem CID170424013
Molecular FormulaC42H29N3O
Molecular Weight591.71 g/mol
Exact Mass591.23
IUPAC NameN'-[(4-dibenzofuran-1-ylnaphthalen-2-yl)methyl]-N-[(methylideneamino)-phenylmethylidene]naphthalene-2-carboximidamide
SMILESC=N/C(=N\C(=N/Cc1cc(-c2cccc3oc4ccccc4c23)c2ccccc2c1)c1ccc2ccccc2c1)c1ccccc1
InChIInChI=1S/C42H29N3O/c1-43-41(30-13-3-2-4-14-30)45-42(33-23-22-29-12-5-6-15-31(29)26-33)44-27-28-24-32-16-7-8-17-34(32)37(25-28)35-19-11-21-39-40(35)36-18-9-10-20-38(36)46-39/h2-26H,1,27H2/b44-42-,45-41-
InChIKeyMIYHUSGNKUGOOL-IMMRVUSSSA-N
XLogP10.65
TPSA50.22 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.71
LogP ≤ 510.65
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'}

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Related Compounds

N'-(N-benzyl-C-naphthalen-2-ylcarbonimidoyl)-N-methylidene-4-(4-naphthalen-1-ylphenyl)dibenzofuran-1-carboximidamide
CID 170423096
N-[(methylideneamino)-(6-phenylnaphthalen-2-yl)methylidene]-N'-(naphthalen-2-ylmethyl)-5-phenylnaphtho[2,1-b][1]benzofuran-11-carboximidamide
CID 167144365
N'-benzyl-3-(3-dibenzofuran-1-ylcarbazol-9-yl)-N-[(methylideneamino)-phenylmethylidene]benzenecarboximidamide
CID 170130884
N'-(N-benzyl-C-dibenzofuran-3-ylcarbonimidoyl)-N-methylidene-6-phenanthren-9-yldibenzofuran-1-carboximidamide
CID 170423774
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'-[C-dibenzofuran-1-yl-N-(naphthalen-2-ylmethyl)carbonimidoyl]-N-methylidene-8-(3-phenylphenyl)dibenzofuran-1-carboximidamide
CID 170423799
N'-(N-benzyl-C-phenylcarbonimidoyl)-7-fluoranthen-3-yl-N-methylidenedibenzofuran-1-carboximidamide
CID 170229475
N'-(N-benzyl-C-phenanthren-2-ylcarbonimidoyl)-8-cyclohepta-1,4,6-trien-1-yl-N-methylidenedibenzofuran-1-carboximidamide
CID 167008222
7-dibenzofuran-1-yl-N'-[N-(dibenzofuran-1-ylmethyl)-C-phenylcarbonimidoyl]naphthalene-2-carboximidamide
CID 170243820
N'-(N-benzyl-C-phenylcarbonimidoyl)-3-dibenzofuran-3-yl-N-methylidenedibenzofuran-1-carboximidamide
CID 170423493
N-methylidene-N'-[C-phenyl-N-[(8-phenylnaphtho[1,2-b][1]benzofuran-5-yl)methyl]carbonimidoyl]chrysene-2-carboximidamide
CID 167143559

Frequently Asked Questions

What is the IUPAC name of N'-[(4-dibenzofuran-1-ylnaphthalen-2-yl)methyl]-N-[(methylideneamino)-phenylmethylidene]naphthalene-2-carboximidamide?
The IUPAC name of N'-[(4-dibenzofuran-1-ylnaphthalen-2-yl)methyl]-N-[(methylideneamino)-phenylmethylidene]naphthalene-2-carboximidamide (CID 170424013) is N'-[(4-dibenzofuran-1-ylnaphthalen-2-yl)methyl]-N-[(methylideneamino)-phenylmethylidene]naphthalene-2-carboximidamide.
What is the SMILES notation for N'-[(4-dibenzofuran-1-ylnaphthalen-2-yl)methyl]-N-[(methylideneamino)-phenylmethylidene]naphthalene-2-carboximidamide?
The canonical SMILES for N'-[(4-dibenzofuran-1-ylnaphthalen-2-yl)methyl]-N-[(methylideneamino)-phenylmethylidene]naphthalene-2-carboximidamide is C=N/C(=N\C(=N/Cc1cc(-c2cccc3oc4ccccc4c23)c2ccccc2c1)c1ccc2ccccc2c1)c1ccccc1.
What is the InChIKey of N'-[(4-dibenzofuran-1-ylnaphthalen-2-yl)methyl]-N-[(methylideneamino)-phenylmethylidene]naphthalene-2-carboximidamide?
The InChIKey is MIYHUSGNKUGOOL-IMMRVUSSSA-N. The full InChI is InChI=1S/C42H29N3O/c1-43-41(30-13-3-2-4-14-30)45-42(33-23-22-29-12-5-6-15-31(29)26-33)44-27-28-24-32-16-7-8-17-34(32)37(25-28)35-19-11-21-39-40(35)36-18-9-10-20-38(36)46-39/h2-26H,1,27H2/b44-42-,45-41-.
What are the key properties of N'-[(4-dibenzofuran-1-ylnaphthalen-2-yl)methyl]-N-[(methylideneamino)-phenylmethylidene]naphthalene-2-carboximidamide?
N'-[(4-dibenzofuran-1-ylnaphthalen-2-yl)methyl]-N-[(methylideneamino)-phenylmethylidene]naphthalene-2-carboximidamide has a molecular weight of 591.71 g/mol, XLogP of 10.65, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-dibenzofuran-1-ylnaphthalen-2-yl)methyl]-N-[(methylideneamino)-phenylmethylidene]naphthalene-2-carboximidamide is sourced from PubChem (CID 170424013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).