dibenzofuran-3-amine;phenyl-[3-[3-[C-phenyl-N-[(Z)-1-phenylprop-1-enyl]carbonimidoyl]phenyl]phenyl]methanimine

C47H37N3O — CID 145441666

IUPACdibenzofuran-3-amine;phenyl-[3-[3-[C-phenyl-N-[(Z)-1-phenylprop-1-enyl]carbonimidoyl]phenyl]phenyl]methanimine
SMILESNc1ccc2c(c1)oc1ccccc12.[H]/N=C(\c1ccccc1)c1cccc(-c2cccc(/C(=N/C(=C\C)c3ccccc3)c3ccccc3)c2)c1
InChIInChI=1S/C35H28N2.C12H9NO/c1-2-33(26-14-6-3-7-15-26)37-35(28-18-10-5-11-19-28)32-23-13-21-30(25-32)29-20-12-22-31(24-29)34(36)27-16-8-4-9-17-27;13-8-5-6-10-9-3-1-2-4-11(9)14-12(10)7-8/h2-25,36H,1H3;1-7H,13H2/b33-2-,36-34+,37-35+;
InChIKeyURENLSWCQFITDF-JFGNJJONSA-N
MW659.83 g/mol
LogP11.84
Rot. Bonds7

About dibenzofuran-3-amine;phenyl-[3-[3-[C-phenyl-N-[(Z)-1-phenylprop-1-enyl]carbonimidoyl]phenyl]phenyl]methanimine

dibenzofuran-3-amine;phenyl-[3-[3-[C-phenyl-N-[(Z)-1-phenylprop-1-enyl]carbonimidoyl]phenyl]phenyl]methanimine (PubChem CID 145441666) has the molecular formula C47H37N3O and a molecular weight of 659.83 g/mol. Its IUPAC name is dibenzofuran-3-amine;phenyl-[3-[3-[C-phenyl-N-[(Z)-1-phenylprop-1-enyl]carbonimidoyl]phenyl]phenyl]methanimine.

Molecular Properties

Compound Namedibenzofuran-3-amine;phenyl-[3-[3-[C-phenyl-N-[(Z)-1-phenylprop-1-enyl]carbonimidoyl]phenyl]phenyl]methanimine
PubChem CID145441666
Molecular FormulaC47H37N3O
Molecular Weight659.83 g/mol
Exact Mass659.29
IUPAC Namedibenzofuran-3-amine;phenyl-[3-[3-[C-phenyl-N-[(Z)-1-phenylprop-1-enyl]carbonimidoyl]phenyl]phenyl]methanimine
SMILESNc1ccc2c(c1)oc1ccccc12.[H]/N=C(\c1ccccc1)c1cccc(-c2cccc(/C(=N/C(=C\C)c3ccccc3)c3ccccc3)c2)c1
InChIInChI=1S/C35H28N2.C12H9NO/c1-2-33(26-14-6-3-7-15-26)37-35(28-18-10-5-11-19-28)32-23-13-21-30(25-32)29-20-12-22-31(24-29)34(36)27-16-8-4-9-17-27;13-8-5-6-10-9-3-1-2-4-11(9)14-12(10)7-8/h2-25,36H,1H3;1-7H,13H2/b33-2-,36-34+,37-35+;
InChIKeyURENLSWCQFITDF-JFGNJJONSA-N
XLogP11.84
TPSA75.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500659.83
LogP ≤ 511.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

dibenzofuran-2-yl-(3-phenylphenyl)methanimine
CID 167230437
dibenzofuran-2-yl(phenyl)methanimine
CID 167230325
3-(3-phenylbenzenecarboximidoyl)aniline
CID 145441675
[3-[(1E)-1-[(2E)-2-ethylidene-5-(4-triphenylen-2-ylphenyl)-1-benzofuran-3-ylidene]propyl]phenyl]-phenylmethanimine
CID 145447273
[3-(8-phenanthren-9-yldibenzofuran-1-yl)phenyl]-phenylmethanimine
CID 145447832
2-[3-[(3E)-penta-1,3-dien-3-yl]phenyl]dibenzofuran
CID 144925010
N-[amino-(3-phenylphenyl)methylidene]-3-phenyldibenzofuran-1-carboximidamide
CID 174023175
N-[(E)-3-dibenzofuran-3-yl-1-phenylprop-2-enylidene]-3,5-diphenyl-4-(3-phenylcarbazol-9-yl)benzenecarboximidamide
CID 167403647
2-[3-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]benzenecarboximidoyl]-N,4-diphenylaniline
CID 176869711
(Z)-3-(10-dibenzofuran-3-yltriphenylen-1-yl)-N'-methylidene-1-(4-phenylphenyl)prop-2-ene-1,3-diimine
CID 145452578
dibenzofuran-2-amine
CID 19405
2-(benzenecarboximidoyl)-1-benzofuran-3-amine;2-dibenzofuran-4-yl-4-(9-methyldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 142519269

Frequently Asked Questions

What is the IUPAC name of dibenzofuran-3-amine;phenyl-[3-[3-[C-phenyl-N-[(Z)-1-phenylprop-1-enyl]carbonimidoyl]phenyl]phenyl]methanimine?
The IUPAC name of dibenzofuran-3-amine;phenyl-[3-[3-[C-phenyl-N-[(Z)-1-phenylprop-1-enyl]carbonimidoyl]phenyl]phenyl]methanimine (CID 145441666) is dibenzofuran-3-amine;phenyl-[3-[3-[C-phenyl-N-[(Z)-1-phenylprop-1-enyl]carbonimidoyl]phenyl]phenyl]methanimine.
What is the SMILES notation for dibenzofuran-3-amine;phenyl-[3-[3-[C-phenyl-N-[(Z)-1-phenylprop-1-enyl]carbonimidoyl]phenyl]phenyl]methanimine?
The canonical SMILES for dibenzofuran-3-amine;phenyl-[3-[3-[C-phenyl-N-[(Z)-1-phenylprop-1-enyl]carbonimidoyl]phenyl]phenyl]methanimine is Nc1ccc2c(c1)oc1ccccc12.[H]/N=C(\c1ccccc1)c1cccc(-c2cccc(/C(=N/C(=C\C)c3ccccc3)c3ccccc3)c2)c1.
What is the InChIKey of dibenzofuran-3-amine;phenyl-[3-[3-[C-phenyl-N-[(Z)-1-phenylprop-1-enyl]carbonimidoyl]phenyl]phenyl]methanimine?
The InChIKey is URENLSWCQFITDF-JFGNJJONSA-N. The full InChI is InChI=1S/C35H28N2.C12H9NO/c1-2-33(26-14-6-3-7-15-26)37-35(28-18-10-5-11-19-28)32-23-13-21-30(25-32)29-20-12-22-31(24-29)34(36)27-16-8-4-9-17-27;13-8-5-6-10-9-3-1-2-4-11(9)14-12(10)7-8/h2-25,36H,1H3;1-7H,13H2/b33-2-,36-34+,37-35+;.
What are the key properties of dibenzofuran-3-amine;phenyl-[3-[3-[C-phenyl-N-[(Z)-1-phenylprop-1-enyl]carbonimidoyl]phenyl]phenyl]methanimine?
dibenzofuran-3-amine;phenyl-[3-[3-[C-phenyl-N-[(Z)-1-phenylprop-1-enyl]carbonimidoyl]phenyl]phenyl]methanimine has a molecular weight of 659.83 g/mol, XLogP of 11.84, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzofuran-3-amine;phenyl-[3-[3-[C-phenyl-N-[(Z)-1-phenylprop-1-enyl]carbonimidoyl]phenyl]phenyl]methanimine is sourced from PubChem (CID 145441666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).