2-nitrophenanthrene

C14H9NO2 — CID 28206

IUPAC2-nitrophenanthrene
SMILESO=[N+]([O-])c1ccc2c(ccc3ccccc32)c1
InChIInChI=1S/C14H9NO2/c16-15(17)12-7-8-14-11(9-12)6-5-10-3-1-2-4-13(10)14/h1-9H
InChIKeyPYZVVHPEDWRKME-UHFFFAOYSA-N
MW223.23 g/mol
LogP3.90
Rot. Bonds1

About 2-nitrophenanthrene

2-nitrophenanthrene (PubChem CID 28206) has the molecular formula C14H9NO2 and a molecular weight of 223.23 g/mol. Its IUPAC name is 2-nitrophenanthrene.

Molecular Properties

Compound Name2-nitrophenanthrene
PubChem CID28206
Molecular FormulaC14H9NO2
Molecular Weight223.23 g/mol
Exact Mass223.06
IUPAC Name2-nitrophenanthrene
SMILESO=[N+]([O-])c1ccc2c(ccc3ccccc32)c1
InChIInChI=1S/C14H9NO2/c16-15(17)12-7-8-14-11(9-12)6-5-10-3-1-2-4-13(10)14/h1-9H
InChIKeyPYZVVHPEDWRKME-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_3', 'substructure': 'N/A'}

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Related Compounds

4-Nitro-1,1'-biphenyl
CID 7114
5-Nitroacenaphthene
CID 11769
1-Nitropyrene
CID 21694
1-Nitronaphthalene
CID 6849
2-Aminoanthracene
CID 11937
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

Frequently Asked Questions

What is the IUPAC name of 2-nitrophenanthrene?
The IUPAC name of 2-nitrophenanthrene (CID 28206) is 2-nitrophenanthrene.
What is the SMILES notation for 2-nitrophenanthrene?
The canonical SMILES for 2-nitrophenanthrene is O=[N+]([O-])c1ccc2c(ccc3ccccc32)c1.
What is the InChIKey of 2-nitrophenanthrene?
The InChIKey is PYZVVHPEDWRKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO2/c16-15(17)12-7-8-14-11(9-12)6-5-10-3-1-2-4-13(10)14/h1-9H.
What are the key properties of 2-nitrophenanthrene?
2-nitrophenanthrene 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 2-nitrophenanthrene is sourced from PubChem (CID 28206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).