N-[4-[2-(2-aminophenyl)ethenyl]-5-(dihydroxyamino)-2-[2-[3-(dioxidoamino)phenyl]ethenyl]phenyl]-N-oxidohydroxylamine

C22H19N4O6-3 — CID 163124128

IUPACN-[4-[2-(2-aminophenyl)ethenyl]-5-(dihydroxyamino)-2-[2-[3-(dioxidoamino)phenyl]ethenyl]phenyl]-N-oxidohydroxylamine
SMILESNc1ccccc1C=Cc1cc(C=Cc2cccc(N([O-])[O-])c2)c(N([O-])O)cc1N(O)O
InChIInChI=1S/C22H19N4O6/c23-20-7-2-1-5-16(20)10-11-18-13-17(21(25(29)30)14-22(18)26(31)32)9-8-15-4-3-6-19(12-15)24(27)28/h1-14,29,31-32H,23H2/q-3
InChIKeyWREFMSOVGSJDRW-UHFFFAOYSA-N
MW435.42 g/mol
LogP4.69
Rot. Bonds7

About N-[4-[2-(2-aminophenyl)ethenyl]-5-(dihydroxyamino)-2-[2-[3-(dioxidoamino)phenyl]ethenyl]phenyl]-N-oxidohydroxylamine

N-[4-[2-(2-aminophenyl)ethenyl]-5-(dihydroxyamino)-2-[2-[3-(dioxidoamino)phenyl]ethenyl]phenyl]-N-oxidohydroxylamine (PubChem CID 163124128) has the molecular formula C22H19N4O6-3 and a molecular weight of 435.42 g/mol. Its IUPAC name is N-[4-[2-(2-aminophenyl)ethenyl]-5-(dihydroxyamino)-2-[2-[3-(dioxidoamino)phenyl]ethenyl]phenyl]-N-oxidohydroxylamine.

Molecular Properties

Compound NameN-[4-[2-(2-aminophenyl)ethenyl]-5-(dihydroxyamino)-2-[2-[3-(dioxidoamino)phenyl]ethenyl]phenyl]-N-oxidohydroxylamine
PubChem CID163124128
Molecular FormulaC22H19N4O6-3
Molecular Weight435.42 g/mol
Exact Mass435.13
IUPAC NameN-[4-[2-(2-aminophenyl)ethenyl]-5-(dihydroxyamino)-2-[2-[3-(dioxidoamino)phenyl]ethenyl]phenyl]-N-oxidohydroxylamine
SMILESNc1ccccc1C=Cc1cc(C=Cc2cccc(N([O-])[O-])c2)c(N([O-])O)cc1N(O)O
InChIInChI=1S/C22H19N4O6/c23-20-7-2-1-5-16(20)10-11-18-13-17(21(25(29)30)14-22(18)26(31)32)9-8-15-4-3-6-19(12-15)24(27)28/h1-14,29,31-32H,23H2/q-3
InChIKeyWREFMSOVGSJDRW-UHFFFAOYSA-N
XLogP4.69
TPSA165.61 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.42
LogP ≤ 54.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze N-[4-[2-(2-aminophenyl)ethenyl]-5-(dihydroxyamino)-2-[2-[3-(dioxidoamino)phenyl]ethenyl]phenyl]-N-oxidohydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-[4-[2-[2-(dihydroxyamino)-4-(dioxidoamino)phenyl]ethenyl]phenyl]ethenyl]-3-N,3-N-dihydroxy-1-N,1-N-dioxidobenzene-1,3-diamine
CID 163177852
4-[2-(2-aminophenyl)ethenyl]-1-N,3-N-dihydroxy-6-[2-[3-[hydroxy(oxido)azaniumyl]phenyl]ethenyl]benzene-1,3-diamine oxide
CID 163124127
4-[(1S,2S)-1,2-dichloro-2-phenylethyl]-3-N,3-N-dihydroxy-1-N,1-N-dioxido-6-(2-phenylethenyl)benzene-1,3-diamine
CID 163164105
2-[(E)-2-(2-nitrophenyl)ethenyl]aniline
CID 11053766
2-[2-(2-nitrophenyl)ethenyl]aniline
CID 53440979
2-nitro-3-(2-phenylethenyl)aniline
CID 67709956
2-[(E)-2-(2-aminophenyl)ethenyl]aniline;bis(dihydroxy(oxo)phosphanium)
CID 88516542
2,3-bis[(E)-2-phenylethenyl]aniline
CID 22251468
2-[(E)-2-(4-bromophenyl)ethenyl]aniline
CID 70367525
2-[2-(3,4-dimethoxyphenyl)ethenyl]aniline
CID 71418980
3-[2-(2-methylphenyl)ethenyl]aniline
CID 86115385
2-[(E)-2-[4-[(E)-2-(2-aminophenyl)ethenyl]-2,5-dichlorophenyl]ethenyl]aniline
CID 70478273

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2-aminophenyl)ethenyl]-5-(dihydroxyamino)-2-[2-[3-(dioxidoamino)phenyl]ethenyl]phenyl]-N-oxidohydroxylamine?
The IUPAC name of N-[4-[2-(2-aminophenyl)ethenyl]-5-(dihydroxyamino)-2-[2-[3-(dioxidoamino)phenyl]ethenyl]phenyl]-N-oxidohydroxylamine (CID 163124128) is N-[4-[2-(2-aminophenyl)ethenyl]-5-(dihydroxyamino)-2-[2-[3-(dioxidoamino)phenyl]ethenyl]phenyl]-N-oxidohydroxylamine.
What is the SMILES notation for N-[4-[2-(2-aminophenyl)ethenyl]-5-(dihydroxyamino)-2-[2-[3-(dioxidoamino)phenyl]ethenyl]phenyl]-N-oxidohydroxylamine?
The canonical SMILES for N-[4-[2-(2-aminophenyl)ethenyl]-5-(dihydroxyamino)-2-[2-[3-(dioxidoamino)phenyl]ethenyl]phenyl]-N-oxidohydroxylamine is Nc1ccccc1C=Cc1cc(C=Cc2cccc(N([O-])[O-])c2)c(N([O-])O)cc1N(O)O.
What is the InChIKey of N-[4-[2-(2-aminophenyl)ethenyl]-5-(dihydroxyamino)-2-[2-[3-(dioxidoamino)phenyl]ethenyl]phenyl]-N-oxidohydroxylamine?
The InChIKey is WREFMSOVGSJDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N4O6/c23-20-7-2-1-5-16(20)10-11-18-13-17(21(25(29)30)14-22(18)26(31)32)9-8-15-4-3-6-19(12-15)24(27)28/h1-14,29,31-32H,23H2/q-3.
What are the key properties of N-[4-[2-(2-aminophenyl)ethenyl]-5-(dihydroxyamino)-2-[2-[3-(dioxidoamino)phenyl]ethenyl]phenyl]-N-oxidohydroxylamine?
N-[4-[2-(2-aminophenyl)ethenyl]-5-(dihydroxyamino)-2-[2-[3-(dioxidoamino)phenyl]ethenyl]phenyl]-N-oxidohydroxylamine has a molecular weight of 435.42 g/mol, XLogP of 4.69, 7 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2-aminophenyl)ethenyl]-5-(dihydroxyamino)-2-[2-[3-(dioxidoamino)phenyl]ethenyl]phenyl]-N-oxidohydroxylamine is sourced from PubChem (CID 163124128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).