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

C22H18N4O8-4 — CID 163177852

IUPAC4-[2-[4-[2-[2-(dihydroxyamino)-4-(dioxidoamino)phenyl]ethenyl]phenyl]ethenyl]-3-N,3-N-dihydroxy-1-N,1-N-dioxidobenzene-1,3-diamine
SMILES[O-]N([O-])c1ccc(C=Cc2ccc(C=Cc3ccc(N([O-])[O-])cc3N(O)O)cc2)c(N(O)O)c1
InChIInChI=1S/C22H18N4O8/c27-23(28)19-11-9-17(21(13-19)25(31)32)7-5-15-1-2-16(4-3-15)6-8-18-10-12-20(24(29)30)14-22(18)26(33)34/h1-14,31-34H/q-4
InChIKeyDZMSRKKUYKIPDK-UHFFFAOYSA-N
MW466.41 g/mol
LogP4.80
Rot. Bonds8

About 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

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 (PubChem CID 163177852) has the molecular formula C22H18N4O8-4 and a molecular weight of 466.41 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[2-[4-[2-[2-(dihydroxyamino)-4-(dioxidoamino)phenyl]ethenyl]phenyl]ethenyl]-3-N,3-N-dihydroxy-1-N,1-N-dioxidobenzene-1,3-diamine
PubChem CID163177852
Molecular FormulaC22H18N4O8-4
Molecular Weight466.41 g/mol
Exact Mass466.11
IUPAC Name4-[2-[4-[2-[2-(dihydroxyamino)-4-(dioxidoamino)phenyl]ethenyl]phenyl]ethenyl]-3-N,3-N-dihydroxy-1-N,1-N-dioxidobenzene-1,3-diamine
SMILES[O-]N([O-])c1ccc(C=Cc2ccc(C=Cc3ccc(N([O-])[O-])cc3N(O)O)cc2)c(N(O)O)c1
InChIInChI=1S/C22H18N4O8/c27-23(28)19-11-9-17(21(13-19)25(31)32)7-5-15-1-2-16(4-3-15)6-8-18-10-12-20(24(29)30)14-22(18)26(33)34/h1-14,31-34H/q-4
InChIKeyDZMSRKKUYKIPDK-UHFFFAOYSA-N
XLogP4.80
TPSA186.12 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.41
LogP ≤ 54.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[2-(2-aminophenyl)ethenyl]-5-(dihydroxyamino)-2-[2-[3-(dioxidoamino)phenyl]ethenyl]phenyl]-N-oxidohydroxylamine
CID 163124128
4-[(E)-2-[4-(N-[4-[(E)-2-[4-(diethylamino)phenyl]ethenyl]phenyl]-4-methylanilino)phenyl]ethenyl]-1-N,1-N,3-N,3-N-tetraethylbenzene-1,3-diamine
CID 20761133
1-N,1-N,3-N,3-N-tetraethyl-4-[2-[4-(4-methyl-N-[4-(2-phenylethenyl)phenyl]anilino)phenyl]ethenyl]benzene-1,3-diamine
CID 59989534
3-N,3-N-dihydroxy-4-isoquinolin-2-ium-2-yl-1-N,1-N-dioxidobenzene-1,3-diamine
CID 21144817
2-N,2-N-dihydroxy-4-N,4-N-dioxido-1-N-[(2-prop-1-enylphenyl)methylideneamino]benzene-1,2,4-triamine
CID 163138273
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
N-[2-(dihydroxyamino)-4-(dioxidoamino)phenyl]-2,2,2-trifluoroacetamide
CID 163147693
N,N-diphenyl-2-[2-[4-(N-phenylanilino)phenyl]ethenyl]aniline
CID 161451306
3-chloro-4-[4-(dihydroxyamino)phenyl]-N,N-dioxidoaniline
CID 163167040
4-[(E)-2-[5-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2,4-dinitrophenyl]ethenyl]-N,N-dimethylaniline
CID 6178371
4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-3-nitrobenzoic acid
CID 639936
4-[4-[4-[4-[4-(diethylamino)-2-ethylphenyl]buta-1,3-dienyl]phenyl]buta-1,3-dienyl]-1-N,1-N,3-N,3-N-tetraethylbenzene-1,3-diamine
CID 59639061

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is [O-]N([O-])c1ccc(C=Cc2ccc(C=Cc3ccc(N([O-])[O-])cc3N(O)O)cc2)c(N(O)O)c1.
What is the InChIKey of 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?
The InChIKey is DZMSRKKUYKIPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O8/c27-23(28)19-11-9-17(21(13-19)25(31)32)7-5-15-1-2-16(4-3-15)6-8-18-10-12-20(24(29)30)14-22(18)26(33)34/h1-14,31-34H/q-4.
What are the key properties of 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?
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 has a molecular weight of 466.41 g/mol, XLogP of 4.80, 8 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 163177852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).