5,7-dinitro-2-phenyl-1H-indole

C14H9N3O4 — CID 10062345

IUPAC5,7-dinitro-2-phenyl-1H-indole
SMILESO=[N+]([O-])c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3)cc2c1
InChIInChI=1S/C14H9N3O4/c18-16(19)11-6-10-7-12(9-4-2-1-3-5-9)15-14(10)13(8-11)17(20)21/h1-8,15H
InChIKeyFFBILAUZHAYIJA-UHFFFAOYSA-N
MW283.24 g/mol
LogP3.65
Rot. Bonds3

About 5,7-dinitro-2-phenyl-1H-indole

5,7-dinitro-2-phenyl-1H-indole (PubChem CID 10062345) has the molecular formula C14H9N3O4 and a molecular weight of 283.24 g/mol. Its IUPAC name is 5,7-dinitro-2-phenyl-1H-indole.

Molecular Properties

Compound Name5,7-dinitro-2-phenyl-1H-indole
PubChem CID10062345
Molecular FormulaC14H9N3O4
Molecular Weight283.24 g/mol
Exact Mass283.06
IUPAC Name5,7-dinitro-2-phenyl-1H-indole
SMILESO=[N+]([O-])c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3)cc2c1
InChIInChI=1S/C14H9N3O4/c18-16(19)11-6-10-7-12(9-4-2-1-3-5-9)15-14(10)13(8-11)17(20)21/h1-8,15H
InChIKeyFFBILAUZHAYIJA-UHFFFAOYSA-N
XLogP3.65
TPSA102.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.24
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

2-(5,7-dinitro-1H-indol-2-yl)phenol
CID 11779476
ethyl 2-(7-nitro-2-phenyl-1H-indol-5-yl)acetate
CID 68635494
4-nitro-2-phenyl-1H-indole
CID 14960157
5,7-dinitro-3-phenyl-1H-quinoxalin-2-one
CID 24796801
5-nitro-7-(4-phenylphenyl)-1H-indole
CID 90152990
2-(dichloromethyl)-1-nitro-4-phenylbenzene
CID 11022348
3,5-dinitro-2-phenylpyridine
CID 14948543
1,1'-biphenyl;1,3-dinitrobenzene
CID 174540087
benzene;2-chloro-1,3,5-trinitrobenzene
CID 160949015
5-(3-nitrophenyl)-2,3-diphenyl-1H-pyrrole
CID 102369150
5-methyl-2-(4-nitrophenyl)-1H-indole
CID 70116809
2-nitro-7-phenylanthracene
CID 54232737

Frequently Asked Questions

What is the IUPAC name of 5,7-dinitro-2-phenyl-1H-indole?
The IUPAC name of 5,7-dinitro-2-phenyl-1H-indole (CID 10062345) is 5,7-dinitro-2-phenyl-1H-indole.
What is the SMILES notation for 5,7-dinitro-2-phenyl-1H-indole?
The canonical SMILES for 5,7-dinitro-2-phenyl-1H-indole is O=[N+]([O-])c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3)cc2c1.
What is the InChIKey of 5,7-dinitro-2-phenyl-1H-indole?
The InChIKey is FFBILAUZHAYIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3O4/c18-16(19)11-6-10-7-12(9-4-2-1-3-5-9)15-14(10)13(8-11)17(20)21/h1-8,15H.
What are the key properties of 5,7-dinitro-2-phenyl-1H-indole?
5,7-dinitro-2-phenyl-1H-indole has a molecular weight of 283.24 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dinitro-2-phenyl-1H-indole is sourced from PubChem (CID 10062345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).