1-(4-nitrophenyl)phenanthren-4-amine

C20H14N2O2 — CID 174932907

IUPAC1-(4-nitrophenyl)phenanthren-4-amine
SMILESNc1ccc(-c2ccc([N+](=O)[O-])cc2)c2ccc3ccccc3c12
InChIInChI=1S/C20H14N2O2/c21-19-12-11-16(14-5-8-15(9-6-14)22(23)24)18-10-7-13-3-1-2-4-17(13)20(18)19/h1-12H,21H2
InChIKeyXJRMGHVUISFWBL-UHFFFAOYSA-N
MW314.34 g/mol
LogP5.15
Rot. Bonds2

About 1-(4-nitrophenyl)phenanthren-4-amine

1-(4-nitrophenyl)phenanthren-4-amine (PubChem CID 174932907) has the molecular formula C20H14N2O2 and a molecular weight of 314.34 g/mol. Its IUPAC name is 1-(4-nitrophenyl)phenanthren-4-amine.

Molecular Properties

Compound Name1-(4-nitrophenyl)phenanthren-4-amine
PubChem CID174932907
Molecular FormulaC20H14N2O2
Molecular Weight314.34 g/mol
Exact Mass314.11
IUPAC Name1-(4-nitrophenyl)phenanthren-4-amine
SMILESNc1ccc(-c2ccc([N+](=O)[O-])cc2)c2ccc3ccccc3c12
InChIInChI=1S/C20H14N2O2/c21-19-12-11-16(14-5-8-15(9-6-14)22(23)24)18-10-7-13-3-1-2-4-17(13)20(18)19/h1-12H,21H2
InChIKeyXJRMGHVUISFWBL-UHFFFAOYSA-N
XLogP5.15
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.34
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'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

2,3-bis(4-nitrophenyl)naphthalen-1-amine
CID 139604402
2-naphthalen-1-yl-5-nitroaniline
CID 141327222
3-(3-nitrophenyl)-1-(4-nitrophenyl)benzo[f]quinoline
CID 25208156
3-(2,4-dichlorophenyl)-1-(4-nitrophenyl)benzo[f]quinoline
CID 44613757
N-naphthalen-1-yl-4-(4-nitrophenyl)-N-phenylnaphthalen-1-amine
CID 59181302
1-(4-nitrophenyl)-2-[2-[2-[2-(4-nitrophenyl)phenyl]phenyl]phenyl]benzene
CID 102592061
4-[3-(4-nitrophenyl)pyrazin-2-yl]naphthalen-1-amine
CID 69408395
5,6,11,12-tetrakis(4-nitrophenyl)tetracene
CID 71427655
1-methyl-4-nitrobenzene;3-methylphenanthrene
CID 91179240
4-(4-nitrophenyl)naphthalene-2-carboxylic acid
CID 174446453
2-(4-nitrophenyl)chromenylium perchlorate
CID 13045838
1-amino-2-(4-nitrophenyl)anthracene-9,10-dione
CID 174815967

Frequently Asked Questions

What is the IUPAC name of 1-(4-nitrophenyl)phenanthren-4-amine?
The IUPAC name of 1-(4-nitrophenyl)phenanthren-4-amine (CID 174932907) is 1-(4-nitrophenyl)phenanthren-4-amine.
What is the SMILES notation for 1-(4-nitrophenyl)phenanthren-4-amine?
The canonical SMILES for 1-(4-nitrophenyl)phenanthren-4-amine is Nc1ccc(-c2ccc([N+](=O)[O-])cc2)c2ccc3ccccc3c12.
What is the InChIKey of 1-(4-nitrophenyl)phenanthren-4-amine?
The InChIKey is XJRMGHVUISFWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O2/c21-19-12-11-16(14-5-8-15(9-6-14)22(23)24)18-10-7-13-3-1-2-4-17(13)20(18)19/h1-12H,21H2.
What are the key properties of 1-(4-nitrophenyl)phenanthren-4-amine?
1-(4-nitrophenyl)phenanthren-4-amine has a molecular weight of 314.34 g/mol, XLogP of 5.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-nitrophenyl)phenanthren-4-amine is sourced from PubChem (CID 174932907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).