1-(2-nitrophenyl)anthracene-9,10-dione

C20H11NO4 — CID 624934

IUPAC1-(2-nitrophenyl)anthracene-9,10-dione
SMILESO=C1c2ccccc2C(=O)c2c1cccc2-c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C20H11NO4/c22-19-14-7-1-2-8-15(14)20(23)18-13(9-5-10-16(18)19)12-6-3-4-11-17(12)21(24)25/h1-11H
InChIKeyRIXJHQXGAMSQBN-UHFFFAOYSA-N
MW329.31 g/mol
LogP4.04
Rot. Bonds2

About 1-(2-nitrophenyl)anthracene-9,10-dione

1-(2-nitrophenyl)anthracene-9,10-dione (PubChem CID 624934) has the molecular formula C20H11NO4 and a molecular weight of 329.31 g/mol. Its IUPAC name is 1-(2-nitrophenyl)anthracene-9,10-dione.

Molecular Properties

Compound Name1-(2-nitrophenyl)anthracene-9,10-dione
PubChem CID624934
Molecular FormulaC20H11NO4
Molecular Weight329.31 g/mol
Exact Mass329.07
IUPAC Name1-(2-nitrophenyl)anthracene-9,10-dione
SMILESO=C1c2ccccc2C(=O)c2c1cccc2-c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C20H11NO4/c22-19-14-7-1-2-8-15(14)20(23)18-13(9-5-10-16(18)19)12-6-3-4-11-17(12)21(24)25/h1-11H
InChIKeyRIXJHQXGAMSQBN-UHFFFAOYSA-N
XLogP4.04
TPSA77.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

sodium;1-nitroanthracene-9,10-dione;sulfanide
CID 174790562
anthracene-9,10-dione;1,2-dinitrobenzene
CID 174782436
11-nitrobenzo[a]phenalen-7-one
CID 11821842
1,8-dinitroanthracene-9,10-dione;ethanol
CID 159527606
9,9-dimethyl-4-(2-nitrophenyl)fluorene
CID 175669556
1-(4-nitroanilino)anthracene-9,10-dione
CID 631257
1,2-diamino-5-nitroanthracene-9,10-dione
CID 67822246
1-chloro-2-nitrobenzene;1-nitro-2-(2-nitrophenyl)benzene
CID 159796978
2-bromo-5-hydroxy-3-(2-nitrophenyl)naphthalene-1,4-dione
CID 10044911
2-chloro-1,3-dinitroanthracene-9,10-dione
CID 154104523
10-[(2-nitrophenyl)methylidene]anthracen-9-one
CID 23740719
3-nitrobenzo[b]phenalen-7-one
CID 2825690

Frequently Asked Questions

What is the IUPAC name of 1-(2-nitrophenyl)anthracene-9,10-dione?
The IUPAC name of 1-(2-nitrophenyl)anthracene-9,10-dione (CID 624934) is 1-(2-nitrophenyl)anthracene-9,10-dione.
What is the SMILES notation for 1-(2-nitrophenyl)anthracene-9,10-dione?
The canonical SMILES for 1-(2-nitrophenyl)anthracene-9,10-dione is O=C1c2ccccc2C(=O)c2c1cccc2-c1ccccc1[N+](=O)[O-].
What is the InChIKey of 1-(2-nitrophenyl)anthracene-9,10-dione?
The InChIKey is RIXJHQXGAMSQBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11NO4/c22-19-14-7-1-2-8-15(14)20(23)18-13(9-5-10-16(18)19)12-6-3-4-11-17(12)21(24)25/h1-11H.
What are the key properties of 1-(2-nitrophenyl)anthracene-9,10-dione?
1-(2-nitrophenyl)anthracene-9,10-dione has a molecular weight of 329.31 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-nitrophenyl)anthracene-9,10-dione is sourced from PubChem (CID 624934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).