anthracene-9,10-dione;N-phenylhydroxylamine

C20H15NO3 — CID 162241472

IUPACanthracene-9,10-dione;N-phenylhydroxylamine
SMILESO=C1c2ccccc2C(=O)c2ccccc21.ONc1ccccc1
InChIInChI=1S/C14H8O2.C6H7NO/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13;8-7-6-4-2-1-3-5-6/h1-8H;1-5,7-8H
InChIKeyZWTMAVVHFHTIHE-UHFFFAOYSA-N
MW317.34 g/mol
LogP3.95
Rot. Bonds1

About anthracene-9,10-dione;N-phenylhydroxylamine

anthracene-9,10-dione;N-phenylhydroxylamine (PubChem CID 162241472) has the molecular formula C20H15NO3 and a molecular weight of 317.34 g/mol. Its IUPAC name is anthracene-9,10-dione;N-phenylhydroxylamine.

Molecular Properties

Compound Nameanthracene-9,10-dione;N-phenylhydroxylamine
PubChem CID162241472
Molecular FormulaC20H15NO3
Molecular Weight317.34 g/mol
Exact Mass317.11
IUPAC Nameanthracene-9,10-dione;N-phenylhydroxylamine
SMILESO=C1c2ccccc2C(=O)c2ccccc21.ONc1ccccc1
InChIInChI=1S/C14H8O2.C6H7NO/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13;8-7-6-4-2-1-3-5-6/h1-8H;1-5,7-8H
InChIKeyZWTMAVVHFHTIHE-UHFFFAOYSA-N
XLogP3.95
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

benzene;N-phenylhydroxylamine
CID 162151307
anthracene-9,10-dione;bis(N-phenylaniline)
CID 174974438
azane;nitrous acid;N-phenylhydroxylamine
CID 118293490
CID 66807709
CID 66807709
CID 67824005
CID 67824005
anthracene-9,10-dione;hydrofluoride
CID 172728823
lithium;anthracene-9,10-dione;hydride
CID 174683199
anthracene-9,10-dione;carbamic acid
CID 70556478
anthracene-9,10-dione;carbonochloridic acid
CID 88712965
anthracene-9,10-dione;platinum(2+);dichloride
CID 174702138
anthracene-9,10-dione;hydrate;hydrochloride
CID 177309925
1-(9,10-dioxoanthracen-2-yl)-3-phenylurea
CID 14250673

Frequently Asked Questions

What is the IUPAC name of anthracene-9,10-dione;N-phenylhydroxylamine?
The IUPAC name of anthracene-9,10-dione;N-phenylhydroxylamine (CID 162241472) is anthracene-9,10-dione;N-phenylhydroxylamine.
What is the SMILES notation for anthracene-9,10-dione;N-phenylhydroxylamine?
The canonical SMILES for anthracene-9,10-dione;N-phenylhydroxylamine is O=C1c2ccccc2C(=O)c2ccccc21.ONc1ccccc1.
What is the InChIKey of anthracene-9,10-dione;N-phenylhydroxylamine?
The InChIKey is ZWTMAVVHFHTIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8O2.C6H7NO/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13;8-7-6-4-2-1-3-5-6/h1-8H;1-5,7-8H.
What are the key properties of anthracene-9,10-dione;N-phenylhydroxylamine?
anthracene-9,10-dione;N-phenylhydroxylamine has a molecular weight of 317.34 g/mol, XLogP of 3.95, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for anthracene-9,10-dione;N-phenylhydroxylamine is sourced from PubChem (CID 162241472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).