4-bromo-1-(4-tert-butylphenyl)isoquinoline;4-bromo-1-(4-methylphenyl)isoquinoline;1-(3-bromophenyl)isoquinoline;1-(3-tert-butylphenyl)isoquinoline;1-(4-tert-butylphenyl)-4-methylisoquinoline;1-(3-fluorophenyl)isoquinoline;4-methyl-1-(4-methylphenyl)isoquinoline;1-(3-methylphenyl)isoquinoline;1-[3-(trifluoromethyl)phenyl]isoquinoline;1-[3-[4-(trifluoromethyl)phenyl]phenyl]isoquinoline

C175H142Br3F7N10 — CID 159504461

IUPAC4-bromo-1-(4-tert-butylphenyl)isoquinoline;4-bromo-1-(4-methylphenyl)isoquinoline;1-(3-bromophenyl)isoquinoline;1-(3-tert-butylphenyl)isoquinoline;1-(4-tert-butylphenyl)-4-methylisoquinoline;1-(3-fluorophenyl)isoquinoline;4-methyl-1-(4-methylphenyl)isoquinoline;1-(3-methylphenyl)isoquinoline;1-[3-(trifluoromethyl)phenyl]isoquinoline;1-[3-[4-(trifluoromethyl)phenyl]phenyl]isoquinoline
SMILESBrc1cccc(-c2nccc3ccccc23)c1.CC(C)(C)c1ccc(-c2ncc(Br)c3ccccc23)cc1.CC(C)(C)c1cccc(-c2nccc3ccccc23)c1.Cc1ccc(-c2ncc(Br)c3ccccc23)cc1.Cc1ccc(-c2ncc(C)c3ccccc23)cc1.Cc1cccc(-c2nccc3ccccc23)c1.Cc1cnc(-c2ccc(C(C)(C)C)cc2)c2ccccc12.FC(F)(F)c1ccc(-c2cccc(-c3nccc4ccccc34)c2)cc1.FC(F)(F)c1cccc(-c2nccc3ccccc23)c1.Fc1cccc(-c2nccc3ccccc23)c1
InChIInChI=1S/C22H14F3N.C20H21N.C19H18BrN.C19H19N.C17H15N.C16H12BrN.C16H10F3N.C16H13N.C15H10BrN.C15H10FN/c23-22(24,25)19-10-8-15(9-11-19)17-5-3-6-18(14-17)21-20-7-2-1-4-16(20)12-13-26-21;1-14-13-21-19(18-8-6-5-7-17(14)18)15-9-11-16(12-10-15)20(2,3)4;1-19(2,3)14-10-8-13(9-11-14)18-16-7-5-4-6-15(16)17(20)12-21-18;1-19(2,3)16-9-6-8-15(13-16)18-17-10-5-4-7-14(17)11-12-20-18;1-12-7-9-14(10-8-12)17-16-6-4-3-5-15(16)13(2)11-18-17;1-11-6-8-12(9-7-11)16-14-5-3-2-4-13(14)15(17)10-18-16;17-16(18,19)13-6-3-5-12(10-13)15-14-7-2-1-4-11(14)8-9-20-15;1-12-5-4-7-14(11-12)16-15-8-3-2-6-13(15)9-10-17-16;2*16-13-6-3-5-12(10-13)15-14-7-2-1-4-11(14)8-9-17-15/h1-14H;5-13H,1-4H3;4-12H,1-3H3;4-13H,1-3H3;3-11H,1-2H3;2-10H,1H3;1-10H;2-11H,1H3;2*1-10H
InChIKeyLZUOEXVUGKARSV-UHFFFAOYSA-N
MW2757.83 g/mol
LogP50.58
Rot. Bonds11

About 4-bromo-1-(4-tert-butylphenyl)isoquinoline;4-bromo-1-(4-methylphenyl)isoquinoline;1-(3-bromophenyl)isoquinoline;1-(3-tert-butylphenyl)isoquinoline;1-(4-tert-butylphenyl)-4-methylisoquinoline;1-(3-fluorophenyl)isoquinoline;4-methyl-1-(4-methylphenyl)isoquinoline;1-(3-methylphenyl)isoquinoline;1-[3-(trifluoromethyl)phenyl]isoquinoline;1-[3-[4-(trifluoromethyl)phenyl]phenyl]isoquinoline

4-bromo-1-(4-tert-butylphenyl)isoquinoline;4-bromo-1-(4-methylphenyl)isoquinoline;1-(3-bromophenyl)isoquinoline;1-(3-tert-butylphenyl)isoquinoline;1-(4-tert-butylphenyl)-4-methylisoquinoline;1-(3-fluorophenyl)isoquinoline;4-methyl-1-(4-methylphenyl)isoquinoline;1-(3-methylphenyl)isoquinoline;1-[3-(trifluoromethyl)phenyl]isoquinoline;1-[3-[4-(trifluoromethyl)phenyl]phenyl]isoquinoline (PubChem CID 159504461) has the molecular formula C175H142Br3F7N10 and a molecular weight of 2757.83 g/mol. Its IUPAC name is 4-bromo-1-(4-tert-butylphenyl)isoquinoline;4-bromo-1-(4-methylphenyl)isoquinoline;1-(3-bromophenyl)isoquinoline;1-(3-tert-butylphenyl)isoquinoline;1-(4-tert-butylphenyl)-4-methylisoquinoline;1-(3-fluorophenyl)isoquinoline;4-methyl-1-(4-methylphenyl)isoquinoline;1-(3-methylphenyl)isoquinoline;1-[3-(trifluoromethyl)phenyl]isoquinoline;1-[3-[4-(trifluoromethyl)phenyl]phenyl]isoquinoline.

Molecular Properties

Compound Name4-bromo-1-(4-tert-butylphenyl)isoquinoline;4-bromo-1-(4-methylphenyl)isoquinoline;1-(3-bromophenyl)isoquinoline;1-(3-tert-butylphenyl)isoquinoline;1-(4-tert-butylphenyl)-4-methylisoquinoline;1-(3-fluorophenyl)isoquinoline;4-methyl-1-(4-methylphenyl)isoquinoline;1-(3-methylphenyl)isoquinoline;1-[3-(trifluoromethyl)phenyl]isoquinoline;1-[3-[4-(trifluoromethyl)phenyl]phenyl]isoquinoline
PubChem CID159504461
Molecular FormulaC175H142Br3F7N10
Molecular Weight2757.83 g/mol
Exact Mass2752.89
IUPAC Name4-bromo-1-(4-tert-butylphenyl)isoquinoline;4-bromo-1-(4-methylphenyl)isoquinoline;1-(3-bromophenyl)isoquinoline;1-(3-tert-butylphenyl)isoquinoline;1-(4-tert-butylphenyl)-4-methylisoquinoline;1-(3-fluorophenyl)isoquinoline;4-methyl-1-(4-methylphenyl)isoquinoline;1-(3-methylphenyl)isoquinoline;1-[3-(trifluoromethyl)phenyl]isoquinoline;1-[3-[4-(trifluoromethyl)phenyl]phenyl]isoquinoline
SMILESBrc1cccc(-c2nccc3ccccc23)c1.CC(C)(C)c1ccc(-c2ncc(Br)c3ccccc23)cc1.CC(C)(C)c1cccc(-c2nccc3ccccc23)c1.Cc1ccc(-c2ncc(Br)c3ccccc23)cc1.Cc1ccc(-c2ncc(C)c3ccccc23)cc1.Cc1cccc(-c2nccc3ccccc23)c1.Cc1cnc(-c2ccc(C(C)(C)C)cc2)c2ccccc12.FC(F)(F)c1ccc(-c2cccc(-c3nccc4ccccc34)c2)cc1.FC(F)(F)c1cccc(-c2nccc3ccccc23)c1.Fc1cccc(-c2nccc3ccccc23)c1
InChIInChI=1S/C22H14F3N.C20H21N.C19H18BrN.C19H19N.C17H15N.C16H12BrN.C16H10F3N.C16H13N.C15H10BrN.C15H10FN/c23-22(24,25)19-10-8-15(9-11-19)17-5-3-6-18(14-17)21-20-7-2-1-4-16(20)12-13-26-21;1-14-13-21-19(18-8-6-5-7-17(14)18)15-9-11-16(12-10-15)20(2,3)4;1-19(2,3)14-10-8-13(9-11-14)18-16-7-5-4-6-15(16)17(20)12-21-18;1-19(2,3)16-9-6-8-15(13-16)18-17-10-5-4-7-14(17)11-12-20-18;1-12-7-9-14(10-8-12)17-16-6-4-3-5-15(16)13(2)11-18-17;1-11-6-8-12(9-7-11)16-14-5-3-2-4-13(14)15(17)10-18-16;17-16(18,19)13-6-3-5-12(10-13)15-14-7-2-1-4-11(14)8-9-20-15;1-12-5-4-7-14(11-12)16-15-8-3-2-6-13(15)9-10-17-16;2*16-13-6-3-5-12(10-13)15-14-7-2-1-4-11(14)8-9-17-15/h1-14H;5-13H,1-4H3;4-12H,1-3H3;4-13H,1-3H3;3-11H,1-2H3;2-10H,1H3;1-10H;2-11H,1H3;2*1-10H
InChIKeyLZUOEXVUGKARSV-UHFFFAOYSA-N
XLogP50.58
TPSA128.90 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms195
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002757.83
LogP ≤ 550.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 4-bromo-1-(4-tert-butylphenyl)isoquinoline;4-bromo-1-(4-methylphenyl)isoquinoline;1-(3-bromophenyl)isoquinoline;1-(3-tert-butylphenyl)isoquinoline;1-(4-tert-butylphenyl)-4-methylisoquinoline;1-(3-fluorophenyl)isoquinoline;4-methyl-1-(4-methylphenyl)isoquinoline;1-(3-methylphenyl)isoquinoline;1-[3-(trifluoromethyl)phenyl]isoquinoline;1-[3-[4-(trifluoromethyl)phenyl]phenyl]isoquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-Bromo-4'-(tert-butyl)-2'-(5-fluoropyridin-2-yl)-[1,1'-biphenyl]-2-yl)-3-methylpyridine
CID 155908957
Bis(1-[3-[4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)phenyl]benzene-6-id-1-yl]isoquinoline);iridium(3+);1-(3-methylbenzene-6-id-1-yl)isoquinoline
CID 58233432
2-(3-Tert-butyl-2-pyridinyl)-6-[4-[6-(3-tert-butyl-2-pyridinyl)-2-pyridinyl]-2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]pyridine
CID 59609410
2-(3-Ethylpyridin-2-yl)-6-[4-[6-(3-ethylpyridin-2-yl)pyridin-2-yl]-2,5-bis[2-(trifluoromethyl)phenyl]phenyl]pyridine
CID 89005636
2-(3-Tert-butyl-2-pyridinyl)-6-[4-[6-(3-tert-butyl-2-pyridinyl)-2-pyridinyl]-2,5-bis(2-methylphenyl)phenyl]pyridine;2-(3-tert-butyl-2-pyridinyl)-6-[4-[6-(3-tert-butyl-2-pyridinyl)-2-pyridinyl]-2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]pyridine;2-(3-ethyl-2-pyridinyl)-6-[4-[6-(3-ethyl-2-pyridinyl)-2-pyridinyl]-2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]pyridine
CID 91052081
1,5-Dimethyl-2-[5-(2-methylphenyl)-4-[5-phenyl-2,4-bis(trifluoromethyl)phenyl]-2-[2-(trifluoromethyl)phenyl]phenyl]-4-phenylbenzene;3-[2,4-dimethyl-5-[5-(2-methylphenyl)-4-[5-pyridin-3-yl-2,4-bis(trifluoromethyl)phenyl]-2-[2-(trifluoromethyl)phenyl]phenyl]phenyl]pyridine;2-(2,6-dimethylphenyl)-6-[4-[6-(2,6-dimethylphenyl)-2-pyridinyl]-2,5-diphenylphenyl]pyridine
CID 91113990
2-(3-Ethyl-2-pyridinyl)-6-[4-[6-(3-ethyl-2-pyridinyl)-2-pyridinyl]-2,5-bis(2-methylphenyl)phenyl]pyridine;2-[2-(2-methylphenyl)-4-[6-(3-methyl-2-pyridinyl)-2-pyridinyl]-5-[2-(trifluoromethyl)phenyl]phenyl]-6-(3-methyl-2-pyridinyl)pyridine;2-[2-(2-methylphenyl)-4-[6-(3-methyl-2-pyridinyl)-2-pyridinyl]-5-[2-(trifluoromethyl)phenyl]phenyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyridine
CID 91161173
2-[2,5-Diphenyl-4-(6-phenyl-2-pyridinyl)phenyl]-6-phenylpyridine;2-[2,5-diphenyl-4-(6-pyridin-2-yl-2-pyridinyl)phenyl]-6-pyridin-2-ylpyridine;2-[3-methyl-5-(trifluoromethyl)phenyl]-6-[4-[6-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]-2,5-diphenylphenyl]pyridine
CID 91363564
2-[3,5-Bis(trifluoromethyl)phenyl]-4-tert-butylpyridine;2-[3,5-bis(trifluoromethyl)phenyl]-5-methylpyridine;4-tert-butyl-2-(4-fluorophenyl)pyridine;2-(2,4-difluorophenyl)pyridine;1-methyl-3-[4-(trifluoromethyl)phenyl]benzene;2-[3-(trifluoromethyl)phenyl]pyridine
CID 91435354
1,4-Bis[2-methyl-5-(2-methylphenyl)phenyl]-2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]benzene;4-methyl-3-[4-methyl-3-[4-[2-methyl-5-(4-methyl-3-pyridinyl)phenyl]-2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]phenyl]pyridine;3-[2,3,4,6-tetrafluoro-5-[2-(2-methylphenyl)-4-(2,3,4,6-tetrafluoro-5-pyridin-3-ylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]phenyl]pyridine
CID 91574893
2-[2,5-Bis(2-methylphenyl)-4-[6-(3-methyl-2-pyridinyl)-2-pyridinyl]phenyl]-6-pyridin-2-ylpyridine;2-[6-[2,5-bis(2-methylphenyl)-4-(6-pyridin-2-yl-2-pyridinyl)phenyl]-2-pyridinyl]-3-(trifluoromethyl)pyridine;2-[2-(2-methylphenyl)-4-(6-pyridin-2-yl-2-pyridinyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-6-pyridin-2-ylpyridine
CID 91578955
2-[4-[2-[3,5-Bis[2-[4-(4-tert-butylpyridin-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-4-methyl-5-[3-(trifluoromethyl)phenyl]pyridine
CID 122487726

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(4-tert-butylphenyl)isoquinoline;4-bromo-1-(4-methylphenyl)isoquinoline;1-(3-bromophenyl)isoquinoline;1-(3-tert-butylphenyl)isoquinoline;1-(4-tert-butylphenyl)-4-methylisoquinoline;1-(3-fluorophenyl)isoquinoline;4-methyl-1-(4-methylphenyl)isoquinoline;1-(3-methylphenyl)isoquinoline;1-[3-(trifluoromethyl)phenyl]isoquinoline;1-[3-[4-(trifluoromethyl)phenyl]phenyl]isoquinoline?
The IUPAC name of 4-bromo-1-(4-tert-butylphenyl)isoquinoline;4-bromo-1-(4-methylphenyl)isoquinoline;1-(3-bromophenyl)isoquinoline;1-(3-tert-butylphenyl)isoquinoline;1-(4-tert-butylphenyl)-4-methylisoquinoline;1-(3-fluorophenyl)isoquinoline;4-methyl-1-(4-methylphenyl)isoquinoline;1-(3-methylphenyl)isoquinoline;1-[3-(trifluoromethyl)phenyl]isoquinoline;1-[3-[4-(trifluoromethyl)phenyl]phenyl]isoquinoline (CID 159504461) is 4-bromo-1-(4-tert-butylphenyl)isoquinoline;4-bromo-1-(4-methylphenyl)isoquinoline;1-(3-bromophenyl)isoquinoline;1-(3-tert-butylphenyl)isoquinoline;1-(4-tert-butylphenyl)-4-methylisoquinoline;1-(3-fluorophenyl)isoquinoline;4-methyl-1-(4-methylphenyl)isoquinoline;1-(3-methylphenyl)isoquinoline;1-[3-(trifluoromethyl)phenyl]isoquinoline;1-[3-[4-(trifluoromethyl)phenyl]phenyl]isoquinoline.
What is the SMILES notation for 4-bromo-1-(4-tert-butylphenyl)isoquinoline;4-bromo-1-(4-methylphenyl)isoquinoline;1-(3-bromophenyl)isoquinoline;1-(3-tert-butylphenyl)isoquinoline;1-(4-tert-butylphenyl)-4-methylisoquinoline;1-(3-fluorophenyl)isoquinoline;4-methyl-1-(4-methylphenyl)isoquinoline;1-(3-methylphenyl)isoquinoline;1-[3-(trifluoromethyl)phenyl]isoquinoline;1-[3-[4-(trifluoromethyl)phenyl]phenyl]isoquinoline?
The canonical SMILES for 4-bromo-1-(4-tert-butylphenyl)isoquinoline;4-bromo-1-(4-methylphenyl)isoquinoline;1-(3-bromophenyl)isoquinoline;1-(3-tert-butylphenyl)isoquinoline;1-(4-tert-butylphenyl)-4-methylisoquinoline;1-(3-fluorophenyl)isoquinoline;4-methyl-1-(4-methylphenyl)isoquinoline;1-(3-methylphenyl)isoquinoline;1-[3-(trifluoromethyl)phenyl]isoquinoline;1-[3-[4-(trifluoromethyl)phenyl]phenyl]isoquinoline is Brc1cccc(-c2nccc3ccccc23)c1.CC(C)(C)c1ccc(-c2ncc(Br)c3ccccc23)cc1.CC(C)(C)c1cccc(-c2nccc3ccccc23)c1.Cc1ccc(-c2ncc(Br)c3ccccc23)cc1.Cc1ccc(-c2ncc(C)c3ccccc23)cc1.Cc1cccc(-c2nccc3ccccc23)c1.Cc1cnc(-c2ccc(C(C)(C)C)cc2)c2ccccc12.FC(F)(F)c1ccc(-c2cccc(-c3nccc4ccccc34)c2)cc1.FC(F)(F)c1cccc(-c2nccc3ccccc23)c1.Fc1cccc(-c2nccc3ccccc23)c1.
What is the InChIKey of 4-bromo-1-(4-tert-butylphenyl)isoquinoline;4-bromo-1-(4-methylphenyl)isoquinoline;1-(3-bromophenyl)isoquinoline;1-(3-tert-butylphenyl)isoquinoline;1-(4-tert-butylphenyl)-4-methylisoquinoline;1-(3-fluorophenyl)isoquinoline;4-methyl-1-(4-methylphenyl)isoquinoline;1-(3-methylphenyl)isoquinoline;1-[3-(trifluoromethyl)phenyl]isoquinoline;1-[3-[4-(trifluoromethyl)phenyl]phenyl]isoquinoline?
The InChIKey is LZUOEXVUGKARSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F3N.C20H21N.C19H18BrN.C19H19N.C17H15N.C16H12BrN.C16H10F3N.C16H13N.C15H10BrN.C15H10FN/c23-22(24,25)19-10-8-15(9-11-19)17-5-3-6-18(14-17)21-20-7-2-1-4-16(20)12-13-26-21;1-14-13-21-19(18-8-6-5-7-17(14)18)15-9-11-16(12-10-15)20(2,3)4;1-19(2,3)14-10-8-13(9-11-14)18-16-7-5-4-6-15(16)17(20)12-21-18;1-19(2,3)16-9-6-8-15(13-16)18-17-10-5-4-7-14(17)11-12-20-18;1-12-7-9-14(10-8-12)17-16-6-4-3-5-15(16)13(2)11-18-17;1-11-6-8-12(9-7-11)16-14-5-3-2-4-13(14)15(17)10-18-16;17-16(18,19)13-6-3-5-12(10-13)15-14-7-2-1-4-11(14)8-9-20-15;1-12-5-4-7-14(11-12)16-15-8-3-2-6-13(15)9-10-17-16;2*16-13-6-3-5-12(10-13)15-14-7-2-1-4-11(14)8-9-17-15/h1-14H;5-13H,1-4H3;4-12H,1-3H3;4-13H,1-3H3;3-11H,1-2H3;2-10H,1H3;1-10H;2-11H,1H3;2*1-10H.
What are the key properties of 4-bromo-1-(4-tert-butylphenyl)isoquinoline;4-bromo-1-(4-methylphenyl)isoquinoline;1-(3-bromophenyl)isoquinoline;1-(3-tert-butylphenyl)isoquinoline;1-(4-tert-butylphenyl)-4-methylisoquinoline;1-(3-fluorophenyl)isoquinoline;4-methyl-1-(4-methylphenyl)isoquinoline;1-(3-methylphenyl)isoquinoline;1-[3-(trifluoromethyl)phenyl]isoquinoline;1-[3-[4-(trifluoromethyl)phenyl]phenyl]isoquinoline?
4-bromo-1-(4-tert-butylphenyl)isoquinoline;4-bromo-1-(4-methylphenyl)isoquinoline;1-(3-bromophenyl)isoquinoline;1-(3-tert-butylphenyl)isoquinoline;1-(4-tert-butylphenyl)-4-methylisoquinoline;1-(3-fluorophenyl)isoquinoline;4-methyl-1-(4-methylphenyl)isoquinoline;1-(3-methylphenyl)isoquinoline;1-[3-(trifluoromethyl)phenyl]isoquinoline;1-[3-[4-(trifluoromethyl)phenyl]phenyl]isoquinoline has a molecular weight of 2757.83 g/mol, XLogP of 50.58, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(4-tert-butylphenyl)isoquinoline;4-bromo-1-(4-methylphenyl)isoquinoline;1-(3-bromophenyl)isoquinoline;1-(3-tert-butylphenyl)isoquinoline;1-(4-tert-butylphenyl)-4-methylisoquinoline;1-(3-fluorophenyl)isoquinoline;4-methyl-1-(4-methylphenyl)isoquinoline;1-(3-methylphenyl)isoquinoline;1-[3-(trifluoromethyl)phenyl]isoquinoline;1-[3-[4-(trifluoromethyl)phenyl]phenyl]isoquinoline is sourced from PubChem (CID 159504461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).