2-(4-bromo-2-nitrophenyl)-1-phenylindole

C20H13BrN2O2 — CID 118197296

IUPAC2-(4-bromo-2-nitrophenyl)-1-phenylindole
SMILESO=[N+]([O-])c1cc(Br)ccc1-c1cc2ccccc2n1-c1ccccc1
InChIInChI=1S/C20H13BrN2O2/c21-15-10-11-17(20(13-15)23(24)25)19-12-14-6-4-5-9-18(14)22(19)16-7-2-1-3-8-16/h1-13H
InChIKeyKVCMDSQIKHYQMW-UHFFFAOYSA-N
MW393.24 g/mol
LogP5.97
Rot. Bonds3

About 2-(4-bromo-2-nitrophenyl)-1-phenylindole

2-(4-bromo-2-nitrophenyl)-1-phenylindole (PubChem CID 118197296) has the molecular formula C20H13BrN2O2 and a molecular weight of 393.24 g/mol. Its IUPAC name is 2-(4-bromo-2-nitrophenyl)-1-phenylindole.

Molecular Properties

Compound Name2-(4-bromo-2-nitrophenyl)-1-phenylindole
PubChem CID118197296
Molecular FormulaC20H13BrN2O2
Molecular Weight393.24 g/mol
Exact Mass392.02
IUPAC Name2-(4-bromo-2-nitrophenyl)-1-phenylindole
SMILESO=[N+]([O-])c1cc(Br)ccc1-c1cc2ccccc2n1-c1ccccc1
InChIInChI=1S/C20H13BrN2O2/c21-15-10-11-17(20(13-15)23(24)25)19-12-14-6-4-5-9-18(14)22(19)16-7-2-1-3-8-16/h1-13H
InChIKeyKVCMDSQIKHYQMW-UHFFFAOYSA-N
XLogP5.97
TPSA48.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.24
LogP ≤ 55.97
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

3-bromo-6-(4-bromo-8-nitronaphthalen-1-yl)-9-phenylcarbazole
CID 142714515
4-bromo-1-(2-chlorophenyl)-2-nitrobenzene
CID 147124448
2-(4-bromo-2-nitrophenyl)imidazo[1,2-a]pyridin-3-amine
CID 114385734
4-bromo-1-nitro-2-(4-phenylphenyl)benzene
CID 144601418
21-(4-bromo-2-nitrophenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 138728383
4-(8-nitronaphthalen-1-yl)-9-phenylcarbazole
CID 142725520
1-(4-bromo-2-nitrophenyl)-2-[2-(4-tert-butylphenyl)ethynyl]indole
CID 162405957
1-nitro-2-phenylindole
CID 142605461
3-bromo-1-nitronaphthalene
CID 826291
3-amino-N',N'-dimethyl-4-(1-phenylindol-2-yl)benzenesulfonohydrazide
CID 139620429
4-(5-bromo-2-nitrophenyl)-9-triphenylen-2-ylcarbazole
CID 178110346
3-(4-bromo-2-nitrophenyl)-1H-indene
CID 159888839

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-nitrophenyl)-1-phenylindole?
The IUPAC name of 2-(4-bromo-2-nitrophenyl)-1-phenylindole (CID 118197296) is 2-(4-bromo-2-nitrophenyl)-1-phenylindole.
What is the SMILES notation for 2-(4-bromo-2-nitrophenyl)-1-phenylindole?
The canonical SMILES for 2-(4-bromo-2-nitrophenyl)-1-phenylindole is O=[N+]([O-])c1cc(Br)ccc1-c1cc2ccccc2n1-c1ccccc1.
What is the InChIKey of 2-(4-bromo-2-nitrophenyl)-1-phenylindole?
The InChIKey is KVCMDSQIKHYQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13BrN2O2/c21-15-10-11-17(20(13-15)23(24)25)19-12-14-6-4-5-9-18(14)22(19)16-7-2-1-3-8-16/h1-13H.
What are the key properties of 2-(4-bromo-2-nitrophenyl)-1-phenylindole?
2-(4-bromo-2-nitrophenyl)-1-phenylindole has a molecular weight of 393.24 g/mol, XLogP of 5.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-nitrophenyl)-1-phenylindole is sourced from PubChem (CID 118197296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).