N'-(N-benzyl-C-phenylcarbonimidoyl)-N-methylidene-4-[7-(4-phenylcarbazol-9-yl)dibenzofuran-1-yl]benzenecarboximidamide

C52H36N4O — CID 166988287

IUPACN'-(N-benzyl-C-phenylcarbonimidoyl)-N-methylidene-4-[7-(4-phenylcarbazol-9-yl)dibenzofuran-1-yl]benzenecarboximidamide
SMILESC=N/C(=N\C(=N\Cc1ccccc1)c1ccccc1)c1ccc(-c2cccc3oc4cc(-n5c6ccccc6c6c(-c7ccccc7)cccc65)ccc4c23)cc1
InChIInChI=1S/C52H36N4O/c1-53-51(55-52(38-19-9-4-10-20-38)54-34-35-15-5-2-6-16-35)39-29-27-37(28-30-39)42-23-14-26-47-50(42)44-32-31-40(33-48(44)57-47)56-45-24-12-11-21-43(45)49-41(22-13-25-46(49)56)36-17-7-3-8-18-36/h2-33H,1,34H2/b54-52+,55-51-
InChIKeyWCFBPIIDPATXHM-FDUGWQPCSA-N
MW732.89 g/mol
LogP13.11
Rot. Bonds7

About N'-(N-benzyl-C-phenylcarbonimidoyl)-N-methylidene-4-[7-(4-phenylcarbazol-9-yl)dibenzofuran-1-yl]benzenecarboximidamide

N'-(N-benzyl-C-phenylcarbonimidoyl)-N-methylidene-4-[7-(4-phenylcarbazol-9-yl)dibenzofuran-1-yl]benzenecarboximidamide (PubChem CID 166988287) has the molecular formula C52H36N4O and a molecular weight of 732.89 g/mol. Its IUPAC name is N'-(N-benzyl-C-phenylcarbonimidoyl)-N-methylidene-4-[7-(4-phenylcarbazol-9-yl)dibenzofuran-1-yl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-(N-benzyl-C-phenylcarbonimidoyl)-N-methylidene-4-[7-(4-phenylcarbazol-9-yl)dibenzofuran-1-yl]benzenecarboximidamide
PubChem CID166988287
Molecular FormulaC52H36N4O
Molecular Weight732.89 g/mol
Exact Mass732.29
IUPAC NameN'-(N-benzyl-C-phenylcarbonimidoyl)-N-methylidene-4-[7-(4-phenylcarbazol-9-yl)dibenzofuran-1-yl]benzenecarboximidamide
SMILESC=N/C(=N\C(=N\Cc1ccccc1)c1ccccc1)c1ccc(-c2cccc3oc4cc(-n5c6ccccc6c6c(-c7ccccc7)cccc65)ccc4c23)cc1
InChIInChI=1S/C52H36N4O/c1-53-51(55-52(38-19-9-4-10-20-38)54-34-35-15-5-2-6-16-35)39-29-27-37(28-30-39)42-23-14-26-47-50(42)44-32-31-40(33-48(44)57-47)56-45-24-12-11-21-43(45)49-41(22-13-25-46(49)56)36-17-7-3-8-18-36/h2-33H,1,34H2/b54-52+,55-51-
InChIKeyWCFBPIIDPATXHM-FDUGWQPCSA-N
XLogP13.11
TPSA55.15 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500732.89
LogP ≤ 513.11
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'}

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Related Compounds

N'-benzyl-3-(3-dibenzofuran-1-ylcarbazol-9-yl)-N-[(methylideneamino)-phenylmethylidene]benzenecarboximidamide
CID 170130884
N'-benzyl-N-[(methylideneamino)-phenylmethylidene]-8-[3-(3-phenylcarbazol-9-yl)phenyl]dibenzofuran-3-carboximidamide
CID 155002394
N'-[N-[[3-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]phenyl]methyl]-C-phenylcarbonimidoyl]-N-methylidenebenzenecarboximidamide
CID 170136856
N'-benzyl-4-dibenzofuran-3-yl-N-[(methylideneamino)-phenylmethylidene]benzenecarboximidamide
CID 146395700
4-phenyl-9-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole
CID 146337627
N'-(N-benzyl-C-phenylcarbonimidoyl)-7-fluoranthen-3-yl-N-methylidenedibenzofuran-1-carboximidamide
CID 170229475
9-[9-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-3-yl]-4-phenylcarbazole
CID 166953278
N'-(N-benzyl-C-phenylcarbonimidoyl)-3-dibenzofuran-3-yl-N-methylidenedibenzofuran-1-carboximidamide
CID 170423493
2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[9-(4-phenylphenyl)dibenzofuran-3-yl]carbazole
CID 170081092
N'-[(4-dibenzofuran-1-ylnaphthalen-2-yl)methyl]-N-[(methylideneamino)-phenylmethylidene]naphthalene-2-carboximidamide
CID 170424013
7-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-3-yl]benzo[c]carbazole
CID 170253451
N'-benzyl-N-methylidenebenzenecarboximidamide;N-[[3-[9-[3-(9-phenylcarbazol-3-yl)phenyl]carbazol-2-yl]phenyl]methyl]methanimine
CID 145358373

Frequently Asked Questions

What is the IUPAC name of N'-(N-benzyl-C-phenylcarbonimidoyl)-N-methylidene-4-[7-(4-phenylcarbazol-9-yl)dibenzofuran-1-yl]benzenecarboximidamide?
The IUPAC name of N'-(N-benzyl-C-phenylcarbonimidoyl)-N-methylidene-4-[7-(4-phenylcarbazol-9-yl)dibenzofuran-1-yl]benzenecarboximidamide (CID 166988287) is N'-(N-benzyl-C-phenylcarbonimidoyl)-N-methylidene-4-[7-(4-phenylcarbazol-9-yl)dibenzofuran-1-yl]benzenecarboximidamide.
What is the SMILES notation for N'-(N-benzyl-C-phenylcarbonimidoyl)-N-methylidene-4-[7-(4-phenylcarbazol-9-yl)dibenzofuran-1-yl]benzenecarboximidamide?
The canonical SMILES for N'-(N-benzyl-C-phenylcarbonimidoyl)-N-methylidene-4-[7-(4-phenylcarbazol-9-yl)dibenzofuran-1-yl]benzenecarboximidamide is C=N/C(=N\C(=N\Cc1ccccc1)c1ccccc1)c1ccc(-c2cccc3oc4cc(-n5c6ccccc6c6c(-c7ccccc7)cccc65)ccc4c23)cc1.
What is the InChIKey of N'-(N-benzyl-C-phenylcarbonimidoyl)-N-methylidene-4-[7-(4-phenylcarbazol-9-yl)dibenzofuran-1-yl]benzenecarboximidamide?
The InChIKey is WCFBPIIDPATXHM-FDUGWQPCSA-N. The full InChI is InChI=1S/C52H36N4O/c1-53-51(55-52(38-19-9-4-10-20-38)54-34-35-15-5-2-6-16-35)39-29-27-37(28-30-39)42-23-14-26-47-50(42)44-32-31-40(33-48(44)57-47)56-45-24-12-11-21-43(45)49-41(22-13-25-46(49)56)36-17-7-3-8-18-36/h2-33H,1,34H2/b54-52+,55-51-.
What are the key properties of N'-(N-benzyl-C-phenylcarbonimidoyl)-N-methylidene-4-[7-(4-phenylcarbazol-9-yl)dibenzofuran-1-yl]benzenecarboximidamide?
N'-(N-benzyl-C-phenylcarbonimidoyl)-N-methylidene-4-[7-(4-phenylcarbazol-9-yl)dibenzofuran-1-yl]benzenecarboximidamide has a molecular weight of 732.89 g/mol, XLogP of 13.11, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(N-benzyl-C-phenylcarbonimidoyl)-N-methylidene-4-[7-(4-phenylcarbazol-9-yl)dibenzofuran-1-yl]benzenecarboximidamide is sourced from PubChem (CID 166988287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).