1-methyl-6-(4-nitrophenyl)-7-phenylindole

C21H16N2O2 — CID 134952632

IUPAC1-methyl-6-(4-nitrophenyl)-7-phenylindole
SMILESCn1ccc2ccc(-c3ccc([N+](=O)[O-])cc3)c(-c3ccccc3)c21
InChIInChI=1S/C21H16N2O2/c1-22-14-13-17-9-12-19(15-7-10-18(11-8-15)23(24)25)20(21(17)22)16-5-3-2-4-6-16/h2-14H,1H3
InChIKeyJPUZRILWSHQMCS-UHFFFAOYSA-N
MW328.37 g/mol
LogP5.42
Rot. Bonds3

About 1-methyl-6-(4-nitrophenyl)-7-phenylindole

1-methyl-6-(4-nitrophenyl)-7-phenylindole (PubChem CID 134952632) has the molecular formula C21H16N2O2 and a molecular weight of 328.37 g/mol. Its IUPAC name is 1-methyl-6-(4-nitrophenyl)-7-phenylindole.

Molecular Properties

Compound Name1-methyl-6-(4-nitrophenyl)-7-phenylindole
PubChem CID134952632
Molecular FormulaC21H16N2O2
Molecular Weight328.37 g/mol
Exact Mass328.12
IUPAC Name1-methyl-6-(4-nitrophenyl)-7-phenylindole
SMILESCn1ccc2ccc(-c3ccc([N+](=O)[O-])cc3)c(-c3ccccc3)c21
InChIInChI=1S/C21H16N2O2/c1-22-14-13-17-9-12-19(15-7-10-18(11-8-15)23(24)25)20(21(17)22)16-5-3-2-4-6-16/h2-14H,1H3
InChIKeyJPUZRILWSHQMCS-UHFFFAOYSA-N
XLogP5.42
TPSA48.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.37
LogP ≤ 55.42
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

1-methyl-5-nitro-7-phenylindole
CID 90152995
1-methyl-8-(4-nitrophenyl)-7-phenylimidazo[1,2-a]pyridin-1-ium
CID 132507468
1-methyl-5-(4-nitrophenyl)-2,3-diphenylpyrrole
CID 15163333
formaldehyde;bis(1-nitro-4-phenylbenzene)
CID 174842779
1-(4-nitrophenyl)-2-[2-[2-[2-(4-nitrophenyl)phenyl]phenyl]phenyl]benzene
CID 102592061
2-(4-nitrophenyl)chromenylium perchlorate
CID 13045838
1-methyl-2-(4-nitrophenyl)-3-phenylindole
CID 160683376
bis(1-nitro-4-phenylbenzene);sulfur dioxide
CID 174751271
1-methyl-2,5-bis[(1-methylpyrrol-2-yl)-(4-nitrophenyl)methyl]pyrrole
CID 15948666
ethanol;1,2,3,4,5,6-hexakis(4-nitrophenyl)benzene
CID 139036987
6-(4-aminophenyl)-2,3-bis(4-nitrophenyl)aniline
CID 174929403
1-methyl-4-(4-nitrophenyl)-2,5-diphenylimidazole
CID 53243899

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-(4-nitrophenyl)-7-phenylindole?
The IUPAC name of 1-methyl-6-(4-nitrophenyl)-7-phenylindole (CID 134952632) is 1-methyl-6-(4-nitrophenyl)-7-phenylindole.
What is the SMILES notation for 1-methyl-6-(4-nitrophenyl)-7-phenylindole?
The canonical SMILES for 1-methyl-6-(4-nitrophenyl)-7-phenylindole is Cn1ccc2ccc(-c3ccc([N+](=O)[O-])cc3)c(-c3ccccc3)c21.
What is the InChIKey of 1-methyl-6-(4-nitrophenyl)-7-phenylindole?
The InChIKey is JPUZRILWSHQMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O2/c1-22-14-13-17-9-12-19(15-7-10-18(11-8-15)23(24)25)20(21(17)22)16-5-3-2-4-6-16/h2-14H,1H3.
What are the key properties of 1-methyl-6-(4-nitrophenyl)-7-phenylindole?
1-methyl-6-(4-nitrophenyl)-7-phenylindole has a molecular weight of 328.37 g/mol, XLogP of 5.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-(4-nitrophenyl)-7-phenylindole is sourced from PubChem (CID 134952632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).