4-[2-(10H-anthracen-9-ylidene)hydrazinyl]-1-N,3-N-dihydroxybenzene-1,3-diamine oxide

C20H18N4O4 — CID 21140507

IUPAC4-[2-(10H-anthracen-9-ylidene)hydrazinyl]-1-N,3-N-dihydroxybenzene-1,3-diamine oxide
SMILES[O-][NH+](O)c1ccc(NN=C2c3ccccc3Cc3ccccc32)c([NH+]([O-])O)c1
InChIInChI=1S/C20H18N4O4/c25-23(26)15-9-10-18(19(12-15)24(27)28)21-22-20-16-7-3-1-5-13(16)11-14-6-2-4-8-17(14)20/h1-10,12,21,23-25,27H,11H2
InChIKeyXEKLMUDCYSDXPW-UHFFFAOYSA-N
MW378.39 g/mol
LogP1.26
Rot. Bonds4

About 4-[2-(10H-anthracen-9-ylidene)hydrazinyl]-1-N,3-N-dihydroxybenzene-1,3-diamine oxide

4-[2-(10H-anthracen-9-ylidene)hydrazinyl]-1-N,3-N-dihydroxybenzene-1,3-diamine oxide (PubChem CID 21140507) has the molecular formula C20H18N4O4 and a molecular weight of 378.39 g/mol. Its IUPAC name is 4-[2-(10H-anthracen-9-ylidene)hydrazinyl]-1-N,3-N-dihydroxybenzene-1,3-diamine oxide.

Molecular Properties

Compound Name4-[2-(10H-anthracen-9-ylidene)hydrazinyl]-1-N,3-N-dihydroxybenzene-1,3-diamine oxide
PubChem CID21140507
Molecular FormulaC20H18N4O4
Molecular Weight378.39 g/mol
Exact Mass378.13
IUPAC Name4-[2-(10H-anthracen-9-ylidene)hydrazinyl]-1-N,3-N-dihydroxybenzene-1,3-diamine oxide
SMILES[O-][NH+](O)c1ccc(NN=C2c3ccccc3Cc3ccccc32)c([NH+]([O-])O)c1
InChIInChI=1S/C20H18N4O4/c25-23(26)15-9-10-18(19(12-15)24(27)28)21-22-20-16-7-3-1-5-13(16)11-14-6-2-4-8-17(14)20/h1-10,12,21,23-25,27H,11H2
InChIKeyXEKLMUDCYSDXPW-UHFFFAOYSA-N
XLogP1.26
TPSA119.85 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 51.26
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[2-(10H-anthracen-9-ylidene)hydrazinyl]-1-N,3-N-dihydroxybenzene-1,3-diamine oxide with MolForge

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Related Compounds

N-(10H-anthracen-9-ylideneamino)-10H-anthracen-9-imine
CID 123408849
4-[2-[[2,4-bis[hydroxy(oxido)azaniumyl]phenyl]iminocarbamoyl]hydrazinyl]-1-N,3-N-dihydroxybenzene-1,3-diamine oxide
CID 21157828
(8,9,10,12-tetrahydro-7H-tetracen-5-ylideneamino)thiourea
CID 86733422
1-N,3-N-dihydroxy-4-[2-[2-(4-methoxycyclohexyl)-1-(4-methoxyphenyl)ethylidene]hydrazinyl]benzene-1,3-diamine oxide
CID 163171342
9H-fluorene;oxophosphane
CID 174601741
N-(10H-anthracen-9-ylideneamino)-2,5-dimethylbenzenesulfonamide
CID 2326133
azane;hexakis(9H-fluorene)
CID 158472914
cadmium;9H-fluorene
CID 175337736
9H-fluorene;trihydrofluoride
CID 172854917
chromium;9H-fluorene
CID 161167703
nonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1,3(18),4(16),5,8,10,12,14,19,21(33),22,25,27,29,31-pentadecaene
CID 59863436
azane;9H-fluorene;hydrobromide
CID 174352852

Frequently Asked Questions

What is the IUPAC name of 4-[2-(10H-anthracen-9-ylidene)hydrazinyl]-1-N,3-N-dihydroxybenzene-1,3-diamine oxide?
The IUPAC name of 4-[2-(10H-anthracen-9-ylidene)hydrazinyl]-1-N,3-N-dihydroxybenzene-1,3-diamine oxide (CID 21140507) is 4-[2-(10H-anthracen-9-ylidene)hydrazinyl]-1-N,3-N-dihydroxybenzene-1,3-diamine oxide.
What is the SMILES notation for 4-[2-(10H-anthracen-9-ylidene)hydrazinyl]-1-N,3-N-dihydroxybenzene-1,3-diamine oxide?
The canonical SMILES for 4-[2-(10H-anthracen-9-ylidene)hydrazinyl]-1-N,3-N-dihydroxybenzene-1,3-diamine oxide is [O-][NH+](O)c1ccc(NN=C2c3ccccc3Cc3ccccc32)c([NH+]([O-])O)c1.
What is the InChIKey of 4-[2-(10H-anthracen-9-ylidene)hydrazinyl]-1-N,3-N-dihydroxybenzene-1,3-diamine oxide?
The InChIKey is XEKLMUDCYSDXPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O4/c25-23(26)15-9-10-18(19(12-15)24(27)28)21-22-20-16-7-3-1-5-13(16)11-14-6-2-4-8-17(14)20/h1-10,12,21,23-25,27H,11H2.
What are the key properties of 4-[2-(10H-anthracen-9-ylidene)hydrazinyl]-1-N,3-N-dihydroxybenzene-1,3-diamine oxide?
4-[2-(10H-anthracen-9-ylidene)hydrazinyl]-1-N,3-N-dihydroxybenzene-1,3-diamine oxide has a molecular weight of 378.39 g/mol, XLogP of 1.26, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(10H-anthracen-9-ylidene)hydrazinyl]-1-N,3-N-dihydroxybenzene-1,3-diamine oxide is sourced from PubChem (CID 21140507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).