3-bromo-5-chloro-9H-fluorene;4-bromo-2-(2-chlorophenyl)-1-nitrobenzene

C25H15Br2Cl2NO2 — CID 157150544

IUPAC3-bromo-5-chloro-9H-fluorene;4-bromo-2-(2-chlorophenyl)-1-nitrobenzene
SMILESClc1cccc2c1-c1cc(Br)ccc1C2.O=[N+]([O-])c1ccc(Br)cc1-c1ccccc1Cl
InChIInChI=1S/C13H8BrCl.C12H7BrClNO2/c14-10-5-4-8-6-9-2-1-3-12(15)13(9)11(8)7-10;13-8-5-6-12(15(16)17)10(7-8)9-3-1-2-4-11(9)14/h1-5,7H,6H2;1-7H
InChIKeyALFATUOWKOOYSE-UHFFFAOYSA-N
MW592.11 g/mol
LogP9.35
Rot. Bonds2

About 3-bromo-5-chloro-9H-fluorene;4-bromo-2-(2-chlorophenyl)-1-nitrobenzene

3-bromo-5-chloro-9H-fluorene;4-bromo-2-(2-chlorophenyl)-1-nitrobenzene (PubChem CID 157150544) has the molecular formula C25H15Br2Cl2NO2 and a molecular weight of 592.11 g/mol. Its IUPAC name is 3-bromo-5-chloro-9H-fluorene;4-bromo-2-(2-chlorophenyl)-1-nitrobenzene.

Molecular Properties

Compound Name3-bromo-5-chloro-9H-fluorene;4-bromo-2-(2-chlorophenyl)-1-nitrobenzene
PubChem CID157150544
Molecular FormulaC25H15Br2Cl2NO2
Molecular Weight592.11 g/mol
Exact Mass588.88
IUPAC Name3-bromo-5-chloro-9H-fluorene;4-bromo-2-(2-chlorophenyl)-1-nitrobenzene
SMILESClc1cccc2c1-c1cc(Br)ccc1C2.O=[N+]([O-])c1ccc(Br)cc1-c1ccccc1Cl
InChIInChI=1S/C13H8BrCl.C12H7BrClNO2/c14-10-5-4-8-6-9-2-1-3-12(15)13(9)11(8)7-10;13-8-5-6-12(15(16)17)10(7-8)9-3-1-2-4-11(9)14/h1-5,7H,6H2;1-7H
InChIKeyALFATUOWKOOYSE-UHFFFAOYSA-N
XLogP9.35
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.11
LogP ≤ 59.35
H-Bond Donors ≤ 50
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

4-bromo-1-(2-chlorophenyl)-2-nitrobenzene
CID 147124448
4-bromo-1-nitro-2-(4-phenylphenyl)benzene
CID 144601418
6,12-bis(5-bromo-2-nitrophenyl)chrysene
CID 87414674
1-bromo-8-(5-bromo-2-nitrophenyl)naphthalene
CID 170668159
6-(5-bromo-2-nitrophenyl)-12-phenylchrysene
CID 87414662
4-(5-bromo-2-nitrophenyl)dibenzothiophene
CID 67700465
4-chloro-1-(2-chlorophenyl)-2-nitrobenzene
CID 175258433
1-chloro-2-nitrobenzene;1-nitro-2-(2-nitrophenyl)benzene
CID 159796978
2-(5-bromo-2-nitrophenyl)-9,9-dimethylfluorene
CID 130288813
3-(4-bromo-2-nitrophenyl)-1H-indene
CID 159888839
4-(5-bromo-2-nitrophenyl)-9-(2-phenylphenyl)carbazole
CID 178110484
benzene;3,4-dibromo-9H-fluorene
CID 159679673

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-9H-fluorene;4-bromo-2-(2-chlorophenyl)-1-nitrobenzene?
The IUPAC name of 3-bromo-5-chloro-9H-fluorene;4-bromo-2-(2-chlorophenyl)-1-nitrobenzene (CID 157150544) is 3-bromo-5-chloro-9H-fluorene;4-bromo-2-(2-chlorophenyl)-1-nitrobenzene.
What is the SMILES notation for 3-bromo-5-chloro-9H-fluorene;4-bromo-2-(2-chlorophenyl)-1-nitrobenzene?
The canonical SMILES for 3-bromo-5-chloro-9H-fluorene;4-bromo-2-(2-chlorophenyl)-1-nitrobenzene is Clc1cccc2c1-c1cc(Br)ccc1C2.O=[N+]([O-])c1ccc(Br)cc1-c1ccccc1Cl.
What is the InChIKey of 3-bromo-5-chloro-9H-fluorene;4-bromo-2-(2-chlorophenyl)-1-nitrobenzene?
The InChIKey is ALFATUOWKOOYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrCl.C12H7BrClNO2/c14-10-5-4-8-6-9-2-1-3-12(15)13(9)11(8)7-10;13-8-5-6-12(15(16)17)10(7-8)9-3-1-2-4-11(9)14/h1-5,7H,6H2;1-7H.
What are the key properties of 3-bromo-5-chloro-9H-fluorene;4-bromo-2-(2-chlorophenyl)-1-nitrobenzene?
3-bromo-5-chloro-9H-fluorene;4-bromo-2-(2-chlorophenyl)-1-nitrobenzene has a molecular weight of 592.11 g/mol, XLogP of 9.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-9H-fluorene;4-bromo-2-(2-chlorophenyl)-1-nitrobenzene is sourced from PubChem (CID 157150544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).