1-methyl-5-nitro-7-phenylindole

C15H12N2O2 — CID 90152995

IUPAC1-methyl-5-nitro-7-phenylindole
SMILESCn1ccc2cc([N+](=O)[O-])cc(-c3ccccc3)c21
InChIInChI=1S/C15H12N2O2/c1-16-8-7-12-9-13(17(18)19)10-14(15(12)16)11-5-3-2-4-6-11/h2-10H,1H3
InChIKeyDEWQZAVVKSFQBU-UHFFFAOYSA-N
MW252.27 g/mol
LogP3.75
Rot. Bonds2

About 1-methyl-5-nitro-7-phenylindole

1-methyl-5-nitro-7-phenylindole (PubChem CID 90152995) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is 1-methyl-5-nitro-7-phenylindole.

Molecular Properties

Compound Name1-methyl-5-nitro-7-phenylindole
PubChem CID90152995
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name1-methyl-5-nitro-7-phenylindole
SMILESCn1ccc2cc([N+](=O)[O-])cc(-c3ccccc3)c21
InChIInChI=1S/C15H12N2O2/c1-16-8-7-12-9-13(17(18)19)10-14(15(12)16)11-5-3-2-4-6-11/h2-10H,1H3
InChIKeyDEWQZAVVKSFQBU-UHFFFAOYSA-N
XLogP3.75
TPSA48.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 53.75
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'}

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Related Compounds

5-nitro-7-phenylindole-1-carboxylic acid
CID 141402933
1-methyl-6-(4-nitrophenyl)-7-phenylindole
CID 134952632
7-bromo-1-ethyl-5-nitroindole;1-ethyl-5-nitro-7-phenylindole
CID 159080087
1-methyl-5-nitro-7-(trifluoromethyl)indole
CID 146296939
4-nitro-2-phenyl-1-propan-2-ylbenzene
CID 71283713
1-methyl-5-nitro-7-phenyl-2,3-dihydroindole
CID 163907775
5-nitro-7-(4-phenylphenyl)-1H-indole
CID 90152990
7-cyclopropyl-1-methylindol-5-amine;7-cyclopropyl-1-methyl-5-nitroindole
CID 159912246
1-(2-hydroxy-5-nitro-3-phenylphenyl)ethanone
CID 11747254
(4-nitro-2-phenylphenyl)boronic acid
CID 150240507
5-bromo-1-methyl-7-nitroindole
CID 67236498
1-methyl-5-(4-nitrophenyl)-2,3-diphenylpyrrole
CID 15163333

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-nitro-7-phenylindole?
The IUPAC name of 1-methyl-5-nitro-7-phenylindole (CID 90152995) is 1-methyl-5-nitro-7-phenylindole.
What is the SMILES notation for 1-methyl-5-nitro-7-phenylindole?
The canonical SMILES for 1-methyl-5-nitro-7-phenylindole is Cn1ccc2cc([N+](=O)[O-])cc(-c3ccccc3)c21.
What is the InChIKey of 1-methyl-5-nitro-7-phenylindole?
The InChIKey is DEWQZAVVKSFQBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c1-16-8-7-12-9-13(17(18)19)10-14(15(12)16)11-5-3-2-4-6-11/h2-10H,1H3.
What are the key properties of 1-methyl-5-nitro-7-phenylindole?
1-methyl-5-nitro-7-phenylindole has a molecular weight of 252.27 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-nitro-7-phenylindole is sourced from PubChem (CID 90152995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).