1-amino-5-phenylanthracene-9,10-dione

C20H13NO2 — CID 154123056

IUPAC1-amino-5-phenylanthracene-9,10-dione
SMILESNc1cccc2c1C(=O)c1cccc(-c3ccccc3)c1C2=O
InChIInChI=1S/C20H13NO2/c21-16-11-5-10-15-18(16)20(23)14-9-4-8-13(17(14)19(15)22)12-6-2-1-3-7-12/h1-11H,21H2
InChIKeyDZVGQLQLZBPLPY-UHFFFAOYSA-N
MW299.33 g/mol
LogP3.71
Rot. Bonds1

About 1-amino-5-phenylanthracene-9,10-dione

1-amino-5-phenylanthracene-9,10-dione (PubChem CID 154123056) has the molecular formula C20H13NO2 and a molecular weight of 299.33 g/mol. Its IUPAC name is 1-amino-5-phenylanthracene-9,10-dione.

Molecular Properties

Compound Name1-amino-5-phenylanthracene-9,10-dione
PubChem CID154123056
Molecular FormulaC20H13NO2
Molecular Weight299.33 g/mol
Exact Mass299.09
IUPAC Name1-amino-5-phenylanthracene-9,10-dione
SMILESNc1cccc2c1C(=O)c1cccc(-c3ccccc3)c1C2=O
InChIInChI=1S/C20H13NO2/c21-16-11-5-10-15-18(16)20(23)14-9-4-8-13(17(14)19(15)22)12-6-2-1-3-7-12/h1-11H,21H2
InChIKeyDZVGQLQLZBPLPY-UHFFFAOYSA-N
XLogP3.71
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1,8-diphenylanthracene-9,10-dione
CID 12637584
1-aminoanthracene-9,10-dione;molecular nitrogen
CID 67788391
1-aminoanthracene-9,10-dione;dichloromethane
CID 160969534
1-(2-hydroxyethyl)-5-phenylanthracene-9,10-dione
CID 90195463
4-(4-phenylphenyl)fluoren-9-one
CID 129258983
1-[(5-amino-9,10-dioxoanthracen-1-yl)amino]-4-[(9,10-dioxoanthracen-1-yl)amino]anthracene-9,10-dione
CID 6165091
3-phenylbenzene-1,2-diamine
CID 18968019
2-phenylaniline;hydrochloride
CID 5284347
CID 159962191
CID 159962191
palladium(2+);2-phenylaniline
CID 175718665
3-amino-2-phenylphenol;2-phenylphenol
CID 67542566
8-amino-9,10-dioxoanthracene-1-carboxylic acid
CID 10683232

Frequently Asked Questions

What is the IUPAC name of 1-amino-5-phenylanthracene-9,10-dione?
The IUPAC name of 1-amino-5-phenylanthracene-9,10-dione (CID 154123056) is 1-amino-5-phenylanthracene-9,10-dione.
What is the SMILES notation for 1-amino-5-phenylanthracene-9,10-dione?
The canonical SMILES for 1-amino-5-phenylanthracene-9,10-dione is Nc1cccc2c1C(=O)c1cccc(-c3ccccc3)c1C2=O.
What is the InChIKey of 1-amino-5-phenylanthracene-9,10-dione?
The InChIKey is DZVGQLQLZBPLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13NO2/c21-16-11-5-10-15-18(16)20(23)14-9-4-8-13(17(14)19(15)22)12-6-2-1-3-7-12/h1-11H,21H2.
What are the key properties of 1-amino-5-phenylanthracene-9,10-dione?
1-amino-5-phenylanthracene-9,10-dione has a molecular weight of 299.33 g/mol, XLogP of 3.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-5-phenylanthracene-9,10-dione is sourced from PubChem (CID 154123056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).