4-nitro-2-phenyl-1H-indole

C14H10N2O2 — CID 14960157

IUPAC4-nitro-2-phenyl-1H-indole
SMILESO=[N+]([O-])c1cccc2[nH]c(-c3ccccc3)cc12
InChIInChI=1S/C14H10N2O2/c17-16(18)14-8-4-7-12-11(14)9-13(15-12)10-5-2-1-3-6-10/h1-9,15H
InChIKeyPQDVHCLDYBFYSR-UHFFFAOYSA-N
MW238.25 g/mol
LogP3.74
Rot. Bonds2

About 4-nitro-2-phenyl-1H-indole

4-nitro-2-phenyl-1H-indole (PubChem CID 14960157) has the molecular formula C14H10N2O2 and a molecular weight of 238.25 g/mol. Its IUPAC name is 4-nitro-2-phenyl-1H-indole.

Molecular Properties

Compound Name4-nitro-2-phenyl-1H-indole
PubChem CID14960157
Molecular FormulaC14H10N2O2
Molecular Weight238.25 g/mol
Exact Mass238.07
IUPAC Name4-nitro-2-phenyl-1H-indole
SMILESO=[N+]([O-])c1cccc2[nH]c(-c3ccccc3)cc12
InChIInChI=1S/C14H10N2O2/c17-16(18)14-8-4-7-12-11(14)9-13(15-12)10-5-2-1-3-6-10/h1-9,15H
InChIKeyPQDVHCLDYBFYSR-UHFFFAOYSA-N
XLogP3.74
TPSA58.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 53.74
H-Bond Donors ≤ 51
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'}

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Related Compounds

2-(4-nitro-1H-indol-2-yl)-1,3,4-oxadiazole
CID 135859975
2-tert-butyl-4-nitro-1H-indole
CID 15852040
2-ethyl-4-nitro-1H-indole
CID 13047994
4-bromo-2-phenyl-1H-indole
CID 15151163
3-(4-methylphenyl)-5-nitro-2H-isoquinolin-1-one
CID 90203030
1,1'-biphenyl;1-nitronaphthalene
CID 174805071
4-(chloromethyl)-2-phenyl-1H-indole
CID 151772767
4-nitro-2-phenyl-1H-benzimidazole
CID 3495719
5,7-dinitro-2-phenyl-1H-indole
CID 10062345
3,6-bis(2-nitrophenyl)-9H-carbazole
CID 129277402
4-chloro-2-nitro-1-phenyl-9H-carbazole
CID 150980162
2-chloro-4-nitro-1H-indole;quinoline
CID 174954659

Frequently Asked Questions

What is the IUPAC name of 4-nitro-2-phenyl-1H-indole?
The IUPAC name of 4-nitro-2-phenyl-1H-indole (CID 14960157) is 4-nitro-2-phenyl-1H-indole.
What is the SMILES notation for 4-nitro-2-phenyl-1H-indole?
The canonical SMILES for 4-nitro-2-phenyl-1H-indole is O=[N+]([O-])c1cccc2[nH]c(-c3ccccc3)cc12.
What is the InChIKey of 4-nitro-2-phenyl-1H-indole?
The InChIKey is PQDVHCLDYBFYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2/c17-16(18)14-8-4-7-12-11(14)9-13(15-12)10-5-2-1-3-6-10/h1-9,15H.
What are the key properties of 4-nitro-2-phenyl-1H-indole?
4-nitro-2-phenyl-1H-indole has a molecular weight of 238.25 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-2-phenyl-1H-indole is sourced from PubChem (CID 14960157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).