N'-benzyl-N-[(methylideneamino)-phenylmethylidene]-8-[3-(3-phenylcarbazol-9-yl)phenyl]dibenzofuran-3-carboximidamide

C52H36N4O — CID 155002394

IUPACN'-benzyl-N-[(methylideneamino)-phenylmethylidene]-8-[3-(3-phenylcarbazol-9-yl)phenyl]dibenzofuran-3-carboximidamide
SMILESC=N/C(=N\C(=N/Cc1ccccc1)c1ccc2c(c1)oc1ccc(-c3cccc(-n4c5ccccc5c5cc(-c6ccccc6)ccc54)c3)cc12)c1ccccc1
InChIInChI=1S/C52H36N4O/c1-53-51(37-18-9-4-10-19-37)55-52(54-34-35-14-5-2-6-15-35)41-24-27-44-46-32-40(26-29-49(46)57-50(44)33-41)38-20-13-21-42(30-38)56-47-23-12-11-22-43(47)45-31-39(25-28-48(45)56)36-16-7-3-8-17-36/h2-33H,1,34H2/b54-52-,55-51-
InChIKeyAHHDPIDSFNYJNH-URHOZWSBSA-N
MW732.89 g/mol
LogP13.11
Rot. Bonds7

About N'-benzyl-N-[(methylideneamino)-phenylmethylidene]-8-[3-(3-phenylcarbazol-9-yl)phenyl]dibenzofuran-3-carboximidamide

N'-benzyl-N-[(methylideneamino)-phenylmethylidene]-8-[3-(3-phenylcarbazol-9-yl)phenyl]dibenzofuran-3-carboximidamide (PubChem CID 155002394) has the molecular formula C52H36N4O and a molecular weight of 732.89 g/mol. Its IUPAC name is N'-benzyl-N-[(methylideneamino)-phenylmethylidene]-8-[3-(3-phenylcarbazol-9-yl)phenyl]dibenzofuran-3-carboximidamide.

Molecular Properties

Compound NameN'-benzyl-N-[(methylideneamino)-phenylmethylidene]-8-[3-(3-phenylcarbazol-9-yl)phenyl]dibenzofuran-3-carboximidamide
PubChem CID155002394
Molecular FormulaC52H36N4O
Molecular Weight732.89 g/mol
Exact Mass732.29
IUPAC NameN'-benzyl-N-[(methylideneamino)-phenylmethylidene]-8-[3-(3-phenylcarbazol-9-yl)phenyl]dibenzofuran-3-carboximidamide
SMILESC=N/C(=N\C(=N/Cc1ccccc1)c1ccc2c(c1)oc1ccc(-c3cccc(-n4c5ccccc5c5cc(-c6ccccc6)ccc54)c3)cc12)c1ccccc1
InChIInChI=1S/C52H36N4O/c1-53-51(37-18-9-4-10-19-37)55-52(54-34-35-14-5-2-6-15-35)41-24-27-44-46-32-40(26-29-49(46)57-50(44)33-41)38-20-13-21-42(30-38)56-47-23-12-11-22-43(47)45-31-39(25-28-48(45)56)36-16-7-3-8-17-36/h2-33H,1,34H2/b54-52-,55-51-
InChIKeyAHHDPIDSFNYJNH-URHOZWSBSA-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'-[N-[[3-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]phenyl]methyl]-C-phenylcarbonimidoyl]-N-methylidenebenzenecarboximidamide
CID 170136856
N'-benzyl-N-[(methylideneamino)-phenylmethylidene]-3-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzenecarboximidamide
CID 170137559
N'-benzyl-3-(3-dibenzofuran-1-ylcarbazol-9-yl)-N-[(methylideneamino)-phenylmethylidene]benzenecarboximidamide
CID 170130884
N'-benzyl-4-dibenzofuran-3-yl-N-[(methylideneamino)-phenylmethylidene]benzenecarboximidamide
CID 146395700
N-[amino(phenyl)methylidene]-N'-benzyl-3-(2-dibenzofuran-2-ylcarbazol-9-yl)benzenecarboximidamide
CID 170136276
N'-benzyl-N-methylidenebenzenecarboximidamide;N-[[3-[9-[3-(9-phenylcarbazol-3-yl)phenyl]carbazol-2-yl]phenyl]methyl]methanimine
CID 145358373
N'-(N-benzyl-C-phenylcarbonimidoyl)-N-methylidene-4-[7-(4-phenylcarbazol-9-yl)dibenzofuran-1-yl]benzenecarboximidamide
CID 166988287
3-dibenzofuran-2-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 129065119
N-[amino(phenyl)methylidene]-N'-benzyl-4-(3-dibenzofuran-3-ylcarbazol-9-yl)-3-phenylbenzenecarboximidamide
CID 170137005
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-6-phenyl-9-(3-phenylphenyl)carbazole
CID 170072680
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 90350922
9-[3-(4-dibenzofuran-2-ylphenyl)phenyl]-2,6-diphenylcarbazole
CID 166927950

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N-[(methylideneamino)-phenylmethylidene]-8-[3-(3-phenylcarbazol-9-yl)phenyl]dibenzofuran-3-carboximidamide?
The IUPAC name of N'-benzyl-N-[(methylideneamino)-phenylmethylidene]-8-[3-(3-phenylcarbazol-9-yl)phenyl]dibenzofuran-3-carboximidamide (CID 155002394) is N'-benzyl-N-[(methylideneamino)-phenylmethylidene]-8-[3-(3-phenylcarbazol-9-yl)phenyl]dibenzofuran-3-carboximidamide.
What is the SMILES notation for N'-benzyl-N-[(methylideneamino)-phenylmethylidene]-8-[3-(3-phenylcarbazol-9-yl)phenyl]dibenzofuran-3-carboximidamide?
The canonical SMILES for N'-benzyl-N-[(methylideneamino)-phenylmethylidene]-8-[3-(3-phenylcarbazol-9-yl)phenyl]dibenzofuran-3-carboximidamide is C=N/C(=N\C(=N/Cc1ccccc1)c1ccc2c(c1)oc1ccc(-c3cccc(-n4c5ccccc5c5cc(-c6ccccc6)ccc54)c3)cc12)c1ccccc1.
What is the InChIKey of N'-benzyl-N-[(methylideneamino)-phenylmethylidene]-8-[3-(3-phenylcarbazol-9-yl)phenyl]dibenzofuran-3-carboximidamide?
The InChIKey is AHHDPIDSFNYJNH-URHOZWSBSA-N. The full InChI is InChI=1S/C52H36N4O/c1-53-51(37-18-9-4-10-19-37)55-52(54-34-35-14-5-2-6-15-35)41-24-27-44-46-32-40(26-29-49(46)57-50(44)33-41)38-20-13-21-42(30-38)56-47-23-12-11-22-43(47)45-31-39(25-28-48(45)56)36-16-7-3-8-17-36/h2-33H,1,34H2/b54-52-,55-51-.
What are the key properties of N'-benzyl-N-[(methylideneamino)-phenylmethylidene]-8-[3-(3-phenylcarbazol-9-yl)phenyl]dibenzofuran-3-carboximidamide?
N'-benzyl-N-[(methylideneamino)-phenylmethylidene]-8-[3-(3-phenylcarbazol-9-yl)phenyl]dibenzofuran-3-carboximidamide 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'-benzyl-N-[(methylideneamino)-phenylmethylidene]-8-[3-(3-phenylcarbazol-9-yl)phenyl]dibenzofuran-3-carboximidamide is sourced from PubChem (CID 155002394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).