N-[(E)-1-[5-[(E)-(diphenylhydrazinylidene)methyl]-1-benzofuran-2-yl]ethylideneamino]-N-ethyl-4-methylaniline

C32H30N4O — CID 20641011

IUPACN-[(E)-1-[5-[(E)-(diphenylhydrazinylidene)methyl]-1-benzofuran-2-yl]ethylideneamino]-N-ethyl-4-methylaniline
SMILESCCN(/N=C(\C)c1cc2cc(/C=N/N(c3ccccc3)c3ccccc3)ccc2o1)c1ccc(C)cc1
InChIInChI=1S/C32H30N4O/c1-4-35(28-18-15-24(2)16-19-28)34-25(3)32-22-27-21-26(17-20-31(27)37-32)23-33-36(29-11-7-5-8-12-29)30-13-9-6-10-14-30/h5-23H,4H2,1-3H3/b33-23+,34-25+
InChIKeyPUMURBLATLXUMZ-ORSDXULWSA-N
MW486.62 g/mol
LogP8.16
Rot. Bonds8

About N-[(E)-1-[5-[(E)-(diphenylhydrazinylidene)methyl]-1-benzofuran-2-yl]ethylideneamino]-N-ethyl-4-methylaniline

N-[(E)-1-[5-[(E)-(diphenylhydrazinylidene)methyl]-1-benzofuran-2-yl]ethylideneamino]-N-ethyl-4-methylaniline (PubChem CID 20641011) has the molecular formula C32H30N4O and a molecular weight of 486.62 g/mol. Its IUPAC name is N-[(E)-1-[5-[(E)-(diphenylhydrazinylidene)methyl]-1-benzofuran-2-yl]ethylideneamino]-N-ethyl-4-methylaniline.

Molecular Properties

Compound NameN-[(E)-1-[5-[(E)-(diphenylhydrazinylidene)methyl]-1-benzofuran-2-yl]ethylideneamino]-N-ethyl-4-methylaniline
PubChem CID20641011
Molecular FormulaC32H30N4O
Molecular Weight486.62 g/mol
Exact Mass486.24
IUPAC NameN-[(E)-1-[5-[(E)-(diphenylhydrazinylidene)methyl]-1-benzofuran-2-yl]ethylideneamino]-N-ethyl-4-methylaniline
SMILESCCN(/N=C(\C)c1cc2cc(/C=N/N(c3ccccc3)c3ccccc3)ccc2o1)c1ccc(C)cc1
InChIInChI=1S/C32H30N4O/c1-4-35(28-18-15-24(2)16-19-28)34-25(3)32-22-27-21-26(17-20-31(27)37-32)23-33-36(29-11-7-5-8-12-29)30-13-9-6-10-14-30/h5-23H,4H2,1-3H3/b33-23+,34-25+
InChIKeyPUMURBLATLXUMZ-ORSDXULWSA-N
XLogP8.16
TPSA44.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.62
LogP ≤ 58.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-4-(2-(5-methylbenzofuran-2-yl)vinyl)benzenamine
CID 44548007
2-[(E)-[(4-carbamimidoylphenyl)hydrazono]methyl]benzofuran-5-carboxamidine
CID 9567646
N-phenyl-N-[(E)-[2-[(Z)-N-(N-phenylanilino)-C-(trifluoromethyl)carbonimidoyl]-1-benzofuran-5-yl]methylideneamino]aniline
CID 20641028
(E)-N-(3,4-dihydro-2H-quinolin-1-yl)-1-[5-[(E)-3,4-dihydro-2H-quinolin-1-yliminomethyl]-1-benzofuran-2-yl]-2,2,2-trifluoroethanimine
CID 20641031
(E)-N-(9H-acridin-10-yl)-1-[5-[(E)-9H-acridin-10-yliminomethyl]-1-benzofuran-2-yl]-2,2,2-trifluoroethanimine
CID 20641035
N-[(E)-[1-[5-[(E)-[ethyl(phenyl)hydrazinylidene]methyl]-1-benzofuran-2-yl]-3,3,3-trifluoropropylidene]amino]-N-methylaniline
CID 20641041
N-methyl-N-[(E)-[2-[(Z)-N-(N-methylanilino)-C-(trifluoromethyl)carbonimidoyl]-1-benzofuran-5-yl]methylideneamino]aniline
CID 20641048
N-(3,4-dihydro-2H-quinolin-1-yl)-1-[5-(3,4-dihydro-2H-quinolin-1-yliminomethyl)-1-benzofuran-2-yl]-2,2,2-trifluoroethanimine
CID 53746456
N-methyl-N-[[2-[N-(N-methylanilino)-C-(trifluoromethyl)carbonimidoyl]-1-benzofuran-5-yl]methylideneamino]aniline
CID 53822886
N-phenyl-N-[[2-[N-(N-phenylanilino)-C-(trifluoromethyl)carbonimidoyl]-1-benzofuran-5-yl]methylideneamino]aniline
CID 53957015
N-(9H-acridin-10-yl)-1-[5-(9H-acridin-10-yliminomethyl)-1-benzofuran-2-yl]-2,2,2-trifluoroethanimine
CID 73691602
N-[[1-[5-[[ethyl(phenyl)hydrazinylidene]methyl]-1-benzofuran-2-yl]-3,3,3-trifluoropropylidene]amino]-N-methylaniline
CID 73691605

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-[5-[(E)-(diphenylhydrazinylidene)methyl]-1-benzofuran-2-yl]ethylideneamino]-N-ethyl-4-methylaniline?
The IUPAC name of N-[(E)-1-[5-[(E)-(diphenylhydrazinylidene)methyl]-1-benzofuran-2-yl]ethylideneamino]-N-ethyl-4-methylaniline (CID 20641011) is N-[(E)-1-[5-[(E)-(diphenylhydrazinylidene)methyl]-1-benzofuran-2-yl]ethylideneamino]-N-ethyl-4-methylaniline.
What is the SMILES notation for N-[(E)-1-[5-[(E)-(diphenylhydrazinylidene)methyl]-1-benzofuran-2-yl]ethylideneamino]-N-ethyl-4-methylaniline?
The canonical SMILES for N-[(E)-1-[5-[(E)-(diphenylhydrazinylidene)methyl]-1-benzofuran-2-yl]ethylideneamino]-N-ethyl-4-methylaniline is CCN(/N=C(\C)c1cc2cc(/C=N/N(c3ccccc3)c3ccccc3)ccc2o1)c1ccc(C)cc1.
What is the InChIKey of N-[(E)-1-[5-[(E)-(diphenylhydrazinylidene)methyl]-1-benzofuran-2-yl]ethylideneamino]-N-ethyl-4-methylaniline?
The InChIKey is PUMURBLATLXUMZ-ORSDXULWSA-N. The full InChI is InChI=1S/C32H30N4O/c1-4-35(28-18-15-24(2)16-19-28)34-25(3)32-22-27-21-26(17-20-31(27)37-32)23-33-36(29-11-7-5-8-12-29)30-13-9-6-10-14-30/h5-23H,4H2,1-3H3/b33-23+,34-25+.
What are the key properties of N-[(E)-1-[5-[(E)-(diphenylhydrazinylidene)methyl]-1-benzofuran-2-yl]ethylideneamino]-N-ethyl-4-methylaniline?
N-[(E)-1-[5-[(E)-(diphenylhydrazinylidene)methyl]-1-benzofuran-2-yl]ethylideneamino]-N-ethyl-4-methylaniline has a molecular weight of 486.62 g/mol, XLogP of 8.16, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-[5-[(E)-(diphenylhydrazinylidene)methyl]-1-benzofuran-2-yl]ethylideneamino]-N-ethyl-4-methylaniline is sourced from PubChem (CID 20641011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).