1-(2-nitrophenyl)-N-[2-[2-[2-[2-[2-[(2-nitrophenyl)methylideneamino]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]methanimine

C32H30N4O8 — CID 3758923

IUPAC1-(2-nitrophenyl)-N-[2-[2-[2-[2-[2-[(2-nitrophenyl)methylideneamino]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]methanimine
SMILESO=[N+]([O-])c1ccccc1/C=N/c1ccccc1OCCOCCOCCOc1ccccc1/N=C/c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C32H30N4O8/c37-35(38)29-13-5-1-9-25(29)23-33-27-11-3-7-15-31(27)43-21-19-41-17-18-42-20-22-44-32-16-8-4-12-28(32)34-24-26-10-2-6-14-30(26)36(39)40/h1-16,23-24H,17-22H2/b33-23+,34-24+
InChIKeyGBOGNXKJCQTTSY-IENBMRAWSA-N
MW598.61 g/mol
LogP6.50
Rot. Bonds17

About 1-(2-nitrophenyl)-N-[2-[2-[2-[2-[2-[(2-nitrophenyl)methylideneamino]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]methanimine

1-(2-nitrophenyl)-N-[2-[2-[2-[2-[2-[(2-nitrophenyl)methylideneamino]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]methanimine (PubChem CID 3758923) has the molecular formula C32H30N4O8 and a molecular weight of 598.61 g/mol. Its IUPAC name is 1-(2-nitrophenyl)-N-[2-[2-[2-[2-[2-[(2-nitrophenyl)methylideneamino]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]methanimine.

Molecular Properties

Compound Name1-(2-nitrophenyl)-N-[2-[2-[2-[2-[2-[(2-nitrophenyl)methylideneamino]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]methanimine
PubChem CID3758923
Molecular FormulaC32H30N4O8
Molecular Weight598.61 g/mol
Exact Mass598.21
IUPAC Name1-(2-nitrophenyl)-N-[2-[2-[2-[2-[2-[(2-nitrophenyl)methylideneamino]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]methanimine
SMILESO=[N+]([O-])c1ccccc1/C=N/c1ccccc1OCCOCCOCCOc1ccccc1/N=C/c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C32H30N4O8/c37-35(38)29-13-5-1-9-25(29)23-33-27-11-3-7-15-31(27)43-21-19-41-17-18-42-20-22-44-32-16-8-4-12-28(32)34-24-26-10-2-6-14-30(26)36(39)40/h1-16,23-24H,17-22H2/b33-23+,34-24+
InChIKeyGBOGNXKJCQTTSY-IENBMRAWSA-N
XLogP6.50
TPSA147.92 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds17
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.61
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

4-nitro-2-[[2-[2-[2-[2-[2-[(5-nitro-2-oxidophenyl)methylideneamino]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]iminomethyl]phenolate
CID 7072618
2-[[2-[2-[2-[2-[2-[(2-hydroxy-5-nitrophenyl)methylideneamino]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]iminomethyl]-4-nitrophenol
CID 3429758
2-[[2-[2-[2-[2-[(2-hydroxyphenyl)methylideneamino]phenoxy]ethoxy]ethoxy]phenyl]iminomethyl]phenol
CID 136857641
1-nitro-2-[2-[2-(2-nitrophenoxy)ethoxy]ethoxy]benzene
CID 2748735
2-[[2-[2-[2-[(2-hydroxyphenyl)methylideneamino]phenoxy]ethoxy]phenyl]iminomethyl]phenol
CID 3742462
2-[2-(2-nitrophenoxy)ethoxy]ethyl hypochlorite
CID 163874008
2-[2-[2-(2-nitrophenoxy)ethoxy]ethoxy]aniline
CID 21205906
1-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-2-nitrobenzene
CID 15105139
1-[2-[2-(2-ethoxyphenoxy)ethoxy]ethoxy]-2-nitrobenzene
CID 2283926
1-(2-ethoxyethoxy)-2-nitrobenzene
CID 23347822
N-(4-fluorophenyl)-1-(2-nitrophenyl)methanimine
CID 794265
2-[(2-nitrophenyl)methylideneamino]benzamide
CID 794642

Frequently Asked Questions

What is the IUPAC name of 1-(2-nitrophenyl)-N-[2-[2-[2-[2-[2-[(2-nitrophenyl)methylideneamino]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]methanimine?
The IUPAC name of 1-(2-nitrophenyl)-N-[2-[2-[2-[2-[2-[(2-nitrophenyl)methylideneamino]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]methanimine (CID 3758923) is 1-(2-nitrophenyl)-N-[2-[2-[2-[2-[2-[(2-nitrophenyl)methylideneamino]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]methanimine.
What is the SMILES notation for 1-(2-nitrophenyl)-N-[2-[2-[2-[2-[2-[(2-nitrophenyl)methylideneamino]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]methanimine?
The canonical SMILES for 1-(2-nitrophenyl)-N-[2-[2-[2-[2-[2-[(2-nitrophenyl)methylideneamino]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]methanimine is O=[N+]([O-])c1ccccc1/C=N/c1ccccc1OCCOCCOCCOc1ccccc1/N=C/c1ccccc1[N+](=O)[O-].
What is the InChIKey of 1-(2-nitrophenyl)-N-[2-[2-[2-[2-[2-[(2-nitrophenyl)methylideneamino]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]methanimine?
The InChIKey is GBOGNXKJCQTTSY-IENBMRAWSA-N. The full InChI is InChI=1S/C32H30N4O8/c37-35(38)29-13-5-1-9-25(29)23-33-27-11-3-7-15-31(27)43-21-19-41-17-18-42-20-22-44-32-16-8-4-12-28(32)34-24-26-10-2-6-14-30(26)36(39)40/h1-16,23-24H,17-22H2/b33-23+,34-24+.
What are the key properties of 1-(2-nitrophenyl)-N-[2-[2-[2-[2-[2-[(2-nitrophenyl)methylideneamino]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]methanimine?
1-(2-nitrophenyl)-N-[2-[2-[2-[2-[2-[(2-nitrophenyl)methylideneamino]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]methanimine has a molecular weight of 598.61 g/mol, XLogP of 6.50, 17 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-nitrophenyl)-N-[2-[2-[2-[2-[2-[(2-nitrophenyl)methylideneamino]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]methanimine is sourced from PubChem (CID 3758923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).