9-nitroanthracene

C14H9NO2 — CID 11767

IUPAC9-nitroanthracene
SMILESO=[N+]([O-])c1c2ccccc2cc2ccccc12
InChIInChI=1S/C14H9NO2/c16-15(17)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9H
InChIKeyLSIKFJXEYJIZNB-UHFFFAOYSA-N
MW223.23 g/mol
LogP3.90
Rot. Bonds1

About 9-nitroanthracene

9-nitroanthracene (PubChem CID 11767) has the molecular formula C14H9NO2 and a molecular weight of 223.23 g/mol. Its IUPAC name is 9-nitroanthracene.

Molecular Properties

Compound Name9-nitroanthracene
PubChem CID11767
Molecular FormulaC14H9NO2
Molecular Weight223.23 g/mol
Exact Mass223.06
IUPAC Name9-nitroanthracene
SMILESO=[N+]([O-])c1c2ccccc2cc2ccccc12
InChIInChI=1S/C14H9NO2/c16-15(17)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9H
InChIKeyLSIKFJXEYJIZNB-UHFFFAOYSA-N
XLogP3.90
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

5-Nitroacenaphthene
CID 11769
1-Nitropyrene
CID 21694
1-Nitronaphthalene
CID 6849
6-Nitrobenzo(a)pyrene
CID 44374
3-Nitrofluoranthene
CID 13462
6-Nitrochrysene
CID 24121
1,6-Dinitropyrene
CID 39184
1,8-Dinitropyrene
CID 39185
1,3-Dinitropyrene
CID 53230
4-Nitropyrene
CID 62134
3-Nitrobenzo(a)pyrene
CID 50961
1-Nitrobenzo(a)pyrene
CID 50958

Frequently Asked Questions

What is the IUPAC name of 9-nitroanthracene?
The IUPAC name of 9-nitroanthracene (CID 11767) is 9-nitroanthracene.
What is the SMILES notation for 9-nitroanthracene?
The canonical SMILES for 9-nitroanthracene is O=[N+]([O-])c1c2ccccc2cc2ccccc12.
What is the InChIKey of 9-nitroanthracene?
The InChIKey is LSIKFJXEYJIZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO2/c16-15(17)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9H.
What are the key properties of 9-nitroanthracene?
9-nitroanthracene has a molecular weight of 223.23 g/mol, XLogP of 3.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-nitroanthracene is sourced from PubChem (CID 11767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).