N'-benzyl-4-dibenzofuran-3-yl-N-[(methylideneamino)-phenylmethylidene]benzenecarboximidamide

C34H25N3O — CID 146395700

IUPACN'-benzyl-4-dibenzofuran-3-yl-N-[(methylideneamino)-phenylmethylidene]benzenecarboximidamide
SMILESC=N/C(=N\C(=N/Cc1ccccc1)c1ccc(-c2ccc3c(c2)oc2ccccc23)cc1)c1ccccc1
InChIInChI=1S/C34H25N3O/c1-35-33(26-12-6-3-7-13-26)37-34(36-23-24-10-4-2-5-11-24)27-18-16-25(17-19-27)28-20-21-30-29-14-8-9-15-31(29)38-32(30)22-28/h2-22H,1,23H2/b36-34-,37-33-
InChIKeyKSRBMWYIKMOXFV-XJSANLPLSA-N
MW491.59 g/mol
LogP8.35
Rot. Bonds5

About N'-benzyl-4-dibenzofuran-3-yl-N-[(methylideneamino)-phenylmethylidene]benzenecarboximidamide

N'-benzyl-4-dibenzofuran-3-yl-N-[(methylideneamino)-phenylmethylidene]benzenecarboximidamide (PubChem CID 146395700) has the molecular formula C34H25N3O and a molecular weight of 491.59 g/mol. Its IUPAC name is N'-benzyl-4-dibenzofuran-3-yl-N-[(methylideneamino)-phenylmethylidene]benzenecarboximidamide.

Molecular Properties

Compound NameN'-benzyl-4-dibenzofuran-3-yl-N-[(methylideneamino)-phenylmethylidene]benzenecarboximidamide
PubChem CID146395700
Molecular FormulaC34H25N3O
Molecular Weight491.59 g/mol
Exact Mass491.20
IUPAC NameN'-benzyl-4-dibenzofuran-3-yl-N-[(methylideneamino)-phenylmethylidene]benzenecarboximidamide
SMILESC=N/C(=N\C(=N/Cc1ccccc1)c1ccc(-c2ccc3c(c2)oc2ccccc23)cc1)c1ccccc1
InChIInChI=1S/C34H25N3O/c1-35-33(26-12-6-3-7-13-26)37-34(36-23-24-10-4-2-5-11-24)27-18-16-25(17-19-27)28-20-21-30-29-14-8-9-15-31(29)38-32(30)22-28/h2-22H,1,23H2/b36-34-,37-33-
InChIKeyKSRBMWYIKMOXFV-XJSANLPLSA-N
XLogP8.35
TPSA50.22 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.59
LogP ≤ 58.35
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-phenylcarbonimidoyl)-3-dibenzofuran-3-yl-N-methylidenedibenzofuran-1-carboximidamide
CID 170423493
N'-benzyl-N-[(methylideneamino)-phenylmethylidene]-8-[3-(3-phenylcarbazol-9-yl)phenyl]dibenzofuran-3-carboximidamide
CID 155002394
N'-(N-benzyl-C-phenylcarbonimidoyl)-N-methylidene-8-phenanthren-2-yldibenzofuran-1-carboximidamide
CID 170423152
N'-(N-benzyl-C-phenylcarbonimidoyl)-7-fluoranthen-3-yl-N-methylidenedibenzofuran-1-carboximidamide
CID 170229475
N'-(N-benzyl-C-phenylcarbonimidoyl)-N-methylidene-4-[7-(4-phenylcarbazol-9-yl)dibenzofuran-1-yl]benzenecarboximidamide
CID 166988287
N'-[N-[[3-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]phenyl]methyl]-C-phenylcarbonimidoyl]-N-methylidenebenzenecarboximidamide
CID 170136856
N'-benzyl-N-methylidenedibenzofuran-2-carboximidamide;chloromethane
CID 142505018
N'-(N-benzyl-C-phenylcarbonimidoyl)-8-[4-(N-(4-dibenzofuran-4-ylphenyl)-4-phenylanilino)phenyl]-N-methylidenedibenzofuran-1-carboximidamide
CID 142427293
N-[amino-(4-phenylphenyl)methylidene]-N'-(dibenzofuran-3-ylmethyl)-4-methylbenzenecarboximidamide
CID 162363127
N'-benzyl-3-(3-dibenzofuran-1-ylcarbazol-9-yl)-N-[(methylideneamino)-phenylmethylidene]benzenecarboximidamide
CID 170130884
N-methylidene-N'-[C-phenyl-N-[(8-phenylnaphtho[1,2-b][1]benzofuran-5-yl)methyl]carbonimidoyl]chrysene-2-carboximidamide
CID 167143559
N'-(N-benzyl-C-dibenzofuran-3-ylcarbonimidoyl)-N-methylidene-6-phenanthren-9-yldibenzofuran-1-carboximidamide
CID 170423774

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-4-dibenzofuran-3-yl-N-[(methylideneamino)-phenylmethylidene]benzenecarboximidamide?
The IUPAC name of N'-benzyl-4-dibenzofuran-3-yl-N-[(methylideneamino)-phenylmethylidene]benzenecarboximidamide (CID 146395700) is N'-benzyl-4-dibenzofuran-3-yl-N-[(methylideneamino)-phenylmethylidene]benzenecarboximidamide.
What is the SMILES notation for N'-benzyl-4-dibenzofuran-3-yl-N-[(methylideneamino)-phenylmethylidene]benzenecarboximidamide?
The canonical SMILES for N'-benzyl-4-dibenzofuran-3-yl-N-[(methylideneamino)-phenylmethylidene]benzenecarboximidamide is C=N/C(=N\C(=N/Cc1ccccc1)c1ccc(-c2ccc3c(c2)oc2ccccc23)cc1)c1ccccc1.
What is the InChIKey of N'-benzyl-4-dibenzofuran-3-yl-N-[(methylideneamino)-phenylmethylidene]benzenecarboximidamide?
The InChIKey is KSRBMWYIKMOXFV-XJSANLPLSA-N. The full InChI is InChI=1S/C34H25N3O/c1-35-33(26-12-6-3-7-13-26)37-34(36-23-24-10-4-2-5-11-24)27-18-16-25(17-19-27)28-20-21-30-29-14-8-9-15-31(29)38-32(30)22-28/h2-22H,1,23H2/b36-34-,37-33-.
What are the key properties of N'-benzyl-4-dibenzofuran-3-yl-N-[(methylideneamino)-phenylmethylidene]benzenecarboximidamide?
N'-benzyl-4-dibenzofuran-3-yl-N-[(methylideneamino)-phenylmethylidene]benzenecarboximidamide has a molecular weight of 491.59 g/mol, XLogP of 8.35, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-4-dibenzofuran-3-yl-N-[(methylideneamino)-phenylmethylidene]benzenecarboximidamide is sourced from PubChem (CID 146395700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).