N-[(dibenzofuran-1-ylmethylideneamino)-[3-phenyl-5-(3-phenylphenyl)phenyl]methylidene]dibenzofuran-4-carboximidamide

C51H33N3O2 — CID 176831362

IUPACN-[(dibenzofuran-1-ylmethylideneamino)-[3-phenyl-5-(3-phenylphenyl)phenyl]methylidene]dibenzofuran-4-carboximidamide
SMILES[H]/N=C(\N=C(/N=C/c1cccc2oc3ccccc3c12)c1cc(-c2ccccc2)cc(-c2cccc(-c3ccccc3)c2)c1)c1cccc2c1oc1ccccc12
InChIInChI=1S/C51H33N3O2/c52-50(44-24-13-23-42-41-21-7-9-25-45(41)56-49(42)44)54-51(53-32-37-20-12-27-47-48(37)43-22-8-10-26-46(43)55-47)40-30-38(34-16-5-2-6-17-34)29-39(31-40)36-19-11-18-35(28-36)33-14-3-1-4-15-33/h1-32,52H/b52-50-,53-32+,54-51-
InChIKeyPOLZAJXYLKDRBD-LOKBBMDQSA-N
MW719.84 g/mol
LogP13.38
Rot. Bonds6

About N-[(dibenzofuran-1-ylmethylideneamino)-[3-phenyl-5-(3-phenylphenyl)phenyl]methylidene]dibenzofuran-4-carboximidamide

N-[(dibenzofuran-1-ylmethylideneamino)-[3-phenyl-5-(3-phenylphenyl)phenyl]methylidene]dibenzofuran-4-carboximidamide (PubChem CID 176831362) has the molecular formula C51H33N3O2 and a molecular weight of 719.84 g/mol. Its IUPAC name is N-[(dibenzofuran-1-ylmethylideneamino)-[3-phenyl-5-(3-phenylphenyl)phenyl]methylidene]dibenzofuran-4-carboximidamide.

Molecular Properties

Compound NameN-[(dibenzofuran-1-ylmethylideneamino)-[3-phenyl-5-(3-phenylphenyl)phenyl]methylidene]dibenzofuran-4-carboximidamide
PubChem CID176831362
Molecular FormulaC51H33N3O2
Molecular Weight719.84 g/mol
Exact Mass719.26
IUPAC NameN-[(dibenzofuran-1-ylmethylideneamino)-[3-phenyl-5-(3-phenylphenyl)phenyl]methylidene]dibenzofuran-4-carboximidamide
SMILES[H]/N=C(\N=C(/N=C/c1cccc2oc3ccccc3c12)c1cc(-c2ccccc2)cc(-c2cccc(-c3ccccc3)c2)c1)c1cccc2c1oc1ccccc12
InChIInChI=1S/C51H33N3O2/c52-50(44-24-13-23-42-41-21-7-9-25-45(41)56-49(42)44)54-51(53-32-37-20-12-27-47-48(37)43-22-8-10-26-46(43)55-47)40-30-38(34-16-5-2-6-17-34)29-39(31-40)36-19-11-18-35(28-36)33-14-3-1-4-15-33/h1-32,52H/b52-50-,53-32+,54-51-
InChIKeyPOLZAJXYLKDRBD-LOKBBMDQSA-N
XLogP13.38
TPSA74.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500719.84
LogP ≤ 513.38
H-Bond Donors ≤ 51
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-[(3-dibenzofuran-4-ylphenyl)methylidene]-N'-(3-phenylbenzenecarboximidoyl)dibenzofuran-1-carboximidamide
CID 176837498
N-[(benzylideneamino)-(3,5-diphenylphenyl)methylidene]-6-phenyldibenzofuran-4-carboximidamide
CID 176837504
N-[amino-(3-phenylphenyl)methylidene]-3-phenyldibenzofuran-1-carboximidamide
CID 174023175
N-[(naphtho[1,2-b][1]benzothiol-1-ylmethylideneamino)-phenylmethylidene]dibenzofuran-1-carboximidamide
CID 177256907
N'-(benzenecarboximidoyl)-N-[(3-phenylnaphtho[1,2-b][1]benzofuran-6-yl)methylidene]dibenzothiophene-3-carboximidamide
CID 176853606
N-[phenyl-[[8-(6-phenyldibenzothiophen-1-yl)dibenzofuran-1-yl]methylideneamino]methylidene]benzenecarboximidamide
CID 156643465
N-[(3-dibenzothiophen-1-ylphenyl)-[(6-phenyldibenzofuran-3-yl)methylideneamino]methylidene]dibenzofuran-3-carboximidamide
CID 159572337
N-[[[8-[6-[2-[(1Z)-buta-1,3-dienyl]-3-methylindol-1-yl]dibenzofuran-1-yl]dibenzofuran-1-yl]methylideneamino]-(3-phenylphenyl)methylidene]-3-phenylbenzenecarboximidamide
CID 156642941
N'-[4-([1]benzofuro[3,2-c]carbazol-5-yl)benzenecarboximidoyl]-N-(dibenzothiophen-3-ylmethylidene)-3-phenylbenzenecarboximidamide
CID 176767129
N-[[[3-(12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-12-yl)dibenzofuran-2-yl]methylideneamino]-phenylmethylidene]naphthalene-1-carboximidamide
CID 167347483
N'-(benzenecarboximidoyl)-N-[(9-cyclohexa-2,4-dien-1-yldibenzofuran-1-yl)methylidene]-4-(4-phenylphenyl)benzenecarboximidamide
CID 170248532
N'-(benzenecarboximidoyl)-3-(5-dibenzofuran-2-yltriphenylen-2-yl)-N-methylidenebenzenecarboximidamide
CID 145452775

Frequently Asked Questions

What is the IUPAC name of N-[(dibenzofuran-1-ylmethylideneamino)-[3-phenyl-5-(3-phenylphenyl)phenyl]methylidene]dibenzofuran-4-carboximidamide?
The IUPAC name of N-[(dibenzofuran-1-ylmethylideneamino)-[3-phenyl-5-(3-phenylphenyl)phenyl]methylidene]dibenzofuran-4-carboximidamide (CID 176831362) is N-[(dibenzofuran-1-ylmethylideneamino)-[3-phenyl-5-(3-phenylphenyl)phenyl]methylidene]dibenzofuran-4-carboximidamide.
What is the SMILES notation for N-[(dibenzofuran-1-ylmethylideneamino)-[3-phenyl-5-(3-phenylphenyl)phenyl]methylidene]dibenzofuran-4-carboximidamide?
The canonical SMILES for N-[(dibenzofuran-1-ylmethylideneamino)-[3-phenyl-5-(3-phenylphenyl)phenyl]methylidene]dibenzofuran-4-carboximidamide is [H]/N=C(\N=C(/N=C/c1cccc2oc3ccccc3c12)c1cc(-c2ccccc2)cc(-c2cccc(-c3ccccc3)c2)c1)c1cccc2c1oc1ccccc12.
What is the InChIKey of N-[(dibenzofuran-1-ylmethylideneamino)-[3-phenyl-5-(3-phenylphenyl)phenyl]methylidene]dibenzofuran-4-carboximidamide?
The InChIKey is POLZAJXYLKDRBD-LOKBBMDQSA-N. The full InChI is InChI=1S/C51H33N3O2/c52-50(44-24-13-23-42-41-21-7-9-25-45(41)56-49(42)44)54-51(53-32-37-20-12-27-47-48(37)43-22-8-10-26-46(43)55-47)40-30-38(34-16-5-2-6-17-34)29-39(31-40)36-19-11-18-35(28-36)33-14-3-1-4-15-33/h1-32,52H/b52-50-,53-32+,54-51-.
What are the key properties of N-[(dibenzofuran-1-ylmethylideneamino)-[3-phenyl-5-(3-phenylphenyl)phenyl]methylidene]dibenzofuran-4-carboximidamide?
N-[(dibenzofuran-1-ylmethylideneamino)-[3-phenyl-5-(3-phenylphenyl)phenyl]methylidene]dibenzofuran-4-carboximidamide has a molecular weight of 719.84 g/mol, XLogP of 13.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(dibenzofuran-1-ylmethylideneamino)-[3-phenyl-5-(3-phenylphenyl)phenyl]methylidene]dibenzofuran-4-carboximidamide is sourced from PubChem (CID 176831362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).