2-methyl-6-(4-nitrophenyl)phenanthridine

C20H14N2O2 — CID 11995600

IUPAC2-methyl-6-(4-nitrophenyl)phenanthridine
SMILESCc1ccc2nc(-c3ccc([N+](=O)[O-])cc3)c3ccccc3c2c1
InChIInChI=1S/C20H14N2O2/c1-13-6-11-19-18(12-13)16-4-2-3-5-17(16)20(21-19)14-7-9-15(10-8-14)22(23)24/h2-12H,1H3
InChIKeyXNDWTQQSNQERRL-UHFFFAOYSA-N
MW314.34 g/mol
LogP5.27
Rot. Bonds2

About 2-methyl-6-(4-nitrophenyl)phenanthridine

2-methyl-6-(4-nitrophenyl)phenanthridine (PubChem CID 11995600) has the molecular formula C20H14N2O2 and a molecular weight of 314.34 g/mol. Its IUPAC name is 2-methyl-6-(4-nitrophenyl)phenanthridine.

Molecular Properties

Compound Name2-methyl-6-(4-nitrophenyl)phenanthridine
PubChem CID11995600
Molecular FormulaC20H14N2O2
Molecular Weight314.34 g/mol
Exact Mass314.11
IUPAC Name2-methyl-6-(4-nitrophenyl)phenanthridine
SMILESCc1ccc2nc(-c3ccc([N+](=O)[O-])cc3)c3ccccc3c2c1
InChIInChI=1S/C20H14N2O2/c1-13-6-11-19-18(12-13)16-4-2-3-5-17(16)20(21-19)14-7-9-15(10-8-14)22(23)24/h2-12H,1H3
InChIKeyXNDWTQQSNQERRL-UHFFFAOYSA-N
XLogP5.27
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.34
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

2-(4-methylphenyl)-6-nitro-4-phenylquinazoline
CID 102342967
1-methyl-4-nitrobenzene;3-methylphenanthrene
CID 91179240
2,3-bis(4-methylphenyl)-6-nitroquinoxaline
CID 2970023
6-(4-methylphenyl)phenanthridine
CID 10707098
methyl 4-(2-methylphenanthridin-6-yl)benzoate
CID 134946434
2-methyl-6-nitro-4-phenylquinazoline
CID 4662097
2-[6-methyl-2-(4-nitrophenyl)quinolin-4-yl]aniline
CID 155387923
N,N-dimethyl-5-(4-nitrophenyl)benzo[h][1,6]naphthyridin-2-amine
CID 45139334
4-methyl-2-(4-nitrophenyl)quinazoline
CID 742061
6-chloro-2-(4-nitrophenyl)-4-phenylquinazoline
CID 15566178
5-methyl-3-[5-(4-nitrophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole
CID 71103102
4-methyl-N-[2-[4-(4-nitrophenyl)quinazolin-2-yl]phenyl]benzenesulfonamide
CID 122211920

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(4-nitrophenyl)phenanthridine?
The IUPAC name of 2-methyl-6-(4-nitrophenyl)phenanthridine (CID 11995600) is 2-methyl-6-(4-nitrophenyl)phenanthridine.
What is the SMILES notation for 2-methyl-6-(4-nitrophenyl)phenanthridine?
The canonical SMILES for 2-methyl-6-(4-nitrophenyl)phenanthridine is Cc1ccc2nc(-c3ccc([N+](=O)[O-])cc3)c3ccccc3c2c1.
What is the InChIKey of 2-methyl-6-(4-nitrophenyl)phenanthridine?
The InChIKey is XNDWTQQSNQERRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O2/c1-13-6-11-19-18(12-13)16-4-2-3-5-17(16)20(21-19)14-7-9-15(10-8-14)22(23)24/h2-12H,1H3.
What are the key properties of 2-methyl-6-(4-nitrophenyl)phenanthridine?
2-methyl-6-(4-nitrophenyl)phenanthridine has a molecular weight of 314.34 g/mol, XLogP of 5.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(4-nitrophenyl)phenanthridine is sourced from PubChem (CID 11995600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).