7-bromo-3,4-diphenyl-1-(2,2,2-trifluoroethyl)isoquinoline

C23H15BrF3N — CID 138975290

IUPAC7-bromo-3,4-diphenyl-1-(2,2,2-trifluoroethyl)isoquinoline
SMILESFC(F)(F)Cc1nc(-c2ccccc2)c(-c2ccccc2)c2ccc(Br)cc12
InChIInChI=1S/C23H15BrF3N/c24-17-11-12-18-19(13-17)20(14-23(25,26)27)28-22(16-9-5-2-6-10-16)21(18)15-7-3-1-4-8-15/h1-13H,14H2
InChIKeyIYZOUNVSRJDFJL-UHFFFAOYSA-N
MW442.28 g/mol
LogP7.44
Rot. Bonds3

About 7-bromo-3,4-diphenyl-1-(2,2,2-trifluoroethyl)isoquinoline

7-bromo-3,4-diphenyl-1-(2,2,2-trifluoroethyl)isoquinoline (PubChem CID 138975290) has the molecular formula C23H15BrF3N and a molecular weight of 442.28 g/mol. Its IUPAC name is 7-bromo-3,4-diphenyl-1-(2,2,2-trifluoroethyl)isoquinoline.

Molecular Properties

Compound Name7-bromo-3,4-diphenyl-1-(2,2,2-trifluoroethyl)isoquinoline
PubChem CID138975290
Molecular FormulaC23H15BrF3N
Molecular Weight442.28 g/mol
Exact Mass441.03
IUPAC Name7-bromo-3,4-diphenyl-1-(2,2,2-trifluoroethyl)isoquinoline
SMILESFC(F)(F)Cc1nc(-c2ccccc2)c(-c2ccccc2)c2ccc(Br)cc12
InChIInChI=1S/C23H15BrF3N/c24-17-11-12-18-19(13-17)20(14-23(25,26)27)28-22(16-9-5-2-6-10-16)21(18)15-7-3-1-4-8-15/h1-13H,14H2
InChIKeyIYZOUNVSRJDFJL-UHFFFAOYSA-N
XLogP7.44
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.28
LogP ≤ 57.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5,6-dimethoxy-3,4-diphenyl-1-(2,2,2-trifluoroethyl)isoquinoline
CID 138975292
2-bromo-9,10-diphenylanthracene
CID 22247163
3,4-diphenyl-6-(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]isoquinoline
CID 138974613
6-bromo-2,3-bis(ethenyl)-1,4-diphenylnaphthalene
CID 123580196
CID 158760527
CID 158760527
4-(4-bromophenyl)-6-methyl-2,3-diphenylpyridine
CID 134944928
N-(6-bromo-2,3-diphenylquinolin-4-yl)-N-methylsulfonylmethanesulfonamide
CID 155589095
2-(6-bromo-9,10-diphenylanthracen-2-yl)-1,3-benzothiazole
CID 142722326
[6-chloro-4-phenyl-2-(2,2,2-trifluoroethyl)quinolin-3-yl] hydrogen carbonate
CID 122684421
9-(7-bromonaphthalen-2-yl)-10-phenylanthracene
CID 134391865
1,6-dichloro-3,4-diphenylisoquinoline
CID 102204844
6-bromo-2-methyl-4-phenylquinazoline
CID 4713931

Frequently Asked Questions

What is the IUPAC name of 7-bromo-3,4-diphenyl-1-(2,2,2-trifluoroethyl)isoquinoline?
The IUPAC name of 7-bromo-3,4-diphenyl-1-(2,2,2-trifluoroethyl)isoquinoline (CID 138975290) is 7-bromo-3,4-diphenyl-1-(2,2,2-trifluoroethyl)isoquinoline.
What is the SMILES notation for 7-bromo-3,4-diphenyl-1-(2,2,2-trifluoroethyl)isoquinoline?
The canonical SMILES for 7-bromo-3,4-diphenyl-1-(2,2,2-trifluoroethyl)isoquinoline is FC(F)(F)Cc1nc(-c2ccccc2)c(-c2ccccc2)c2ccc(Br)cc12.
What is the InChIKey of 7-bromo-3,4-diphenyl-1-(2,2,2-trifluoroethyl)isoquinoline?
The InChIKey is IYZOUNVSRJDFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15BrF3N/c24-17-11-12-18-19(13-17)20(14-23(25,26)27)28-22(16-9-5-2-6-10-16)21(18)15-7-3-1-4-8-15/h1-13H,14H2.
What are the key properties of 7-bromo-3,4-diphenyl-1-(2,2,2-trifluoroethyl)isoquinoline?
7-bromo-3,4-diphenyl-1-(2,2,2-trifluoroethyl)isoquinoline has a molecular weight of 442.28 g/mol, XLogP of 7.44, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3,4-diphenyl-1-(2,2,2-trifluoroethyl)isoquinoline is sourced from PubChem (CID 138975290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).