5-nitro-7-(4-phenylphenyl)-1H-indole

C20H14N2O2 — CID 90152990

IUPAC5-nitro-7-(4-phenylphenyl)-1H-indole
SMILESO=[N+]([O-])c1cc(-c2ccc(-c3ccccc3)cc2)c2[nH]ccc2c1
InChIInChI=1S/C20H14N2O2/c23-22(24)18-12-17-10-11-21-20(17)19(13-18)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-13,21H
InChIKeyYWFZNYHRAKRSIA-UHFFFAOYSA-N
MW314.34 g/mol
LogP5.41
Rot. Bonds3

About 5-nitro-7-(4-phenylphenyl)-1H-indole

5-nitro-7-(4-phenylphenyl)-1H-indole (PubChem CID 90152990) has the molecular formula C20H14N2O2 and a molecular weight of 314.34 g/mol. Its IUPAC name is 5-nitro-7-(4-phenylphenyl)-1H-indole.

Molecular Properties

Compound Name5-nitro-7-(4-phenylphenyl)-1H-indole
PubChem CID90152990
Molecular FormulaC20H14N2O2
Molecular Weight314.34 g/mol
Exact Mass314.11
IUPAC Name5-nitro-7-(4-phenylphenyl)-1H-indole
SMILESO=[N+]([O-])c1cc(-c2ccc(-c3ccccc3)cc2)c2[nH]ccc2c1
InChIInChI=1S/C20H14N2O2/c23-22(24)18-12-17-10-11-21-20(17)19(13-18)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-13,21H
InChIKeyYWFZNYHRAKRSIA-UHFFFAOYSA-N
XLogP5.41
TPSA58.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.34
LogP ≤ 55.41
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

7-methoxy-5-nitro-1H-indole
CID 10797804
2-nitro-7-phenylanthracene
CID 54232737
5-nitro-7-phenylindole-1-carboxylic acid
CID 141402933
1-methyl-5-nitro-7-phenylindole
CID 90152995
1,1'-biphenyl;1,3-dinitrobenzene
CID 174540087
formaldehyde;bis(1-nitro-4-phenylbenzene)
CID 174842779
1H-indole;5-nitro-1H-indole
CID 172790290
1H-azuleno[1,2-b]pyrrole;7-methyl-1H-azuleno[1,2-b]pyrrole
CID 19815767
1-(2-nitro-4-phenylphenyl)-4-phenylnaphthalene
CID 90215701
5,7-dinitro-2-phenyl-1H-indole
CID 10062345
4-(4-nitro-2-phenylphenyl)phenol
CID 174946678
1-(3-nitrophenyl)-3-phenylbenzene
CID 12623202

Frequently Asked Questions

What is the IUPAC name of 5-nitro-7-(4-phenylphenyl)-1H-indole?
The IUPAC name of 5-nitro-7-(4-phenylphenyl)-1H-indole (CID 90152990) is 5-nitro-7-(4-phenylphenyl)-1H-indole.
What is the SMILES notation for 5-nitro-7-(4-phenylphenyl)-1H-indole?
The canonical SMILES for 5-nitro-7-(4-phenylphenyl)-1H-indole is O=[N+]([O-])c1cc(-c2ccc(-c3ccccc3)cc2)c2[nH]ccc2c1.
What is the InChIKey of 5-nitro-7-(4-phenylphenyl)-1H-indole?
The InChIKey is YWFZNYHRAKRSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O2/c23-22(24)18-12-17-10-11-21-20(17)19(13-18)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-13,21H.
What are the key properties of 5-nitro-7-(4-phenylphenyl)-1H-indole?
5-nitro-7-(4-phenylphenyl)-1H-indole has a molecular weight of 314.34 g/mol, XLogP of 5.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-7-(4-phenylphenyl)-1H-indole is sourced from PubChem (CID 90152990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).