About 6-tert-butyl-1-phenylisoquinoline;bis(6-tert-butyl-1-phenylisoquinolin-2-ium);bis(2,4-diphenylpyridin-1-ium);tris(iridium);1-phenylisoquinoline;bis(1-phenylisoquinolin-2-ium);4-phenyl-2-phenylpyridine;4,6,10,12-tetrakis(4-tert-butylphenyl)-8-(4-methoxyphenyl)-3-aza-1-azoniatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaene;7,14,25,32-tetraphenylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(37),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34(38),35,39-icosaene
6-tert-butyl-1-phenylisoquinoline;bis(6-tert-butyl-1-phenylisoquinolin-2-ium);bis(2,4-diphenylpyridin-1-ium);tris(iridium);1-phenylisoquinoline;bis(1-phenylisoquinolin-2-ium);4-phenyl-2-phenylpyridine;4,6,10,12-tetrakis(4-tert-butylphenyl)-8-(4-methoxyphenyl)-3-aza-1-azoniatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaene;7,14,25,32-tetraphenylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(37),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34(38),35,39-icosaene (PubChem CID 159893318) has the molecular formula C274H231Ir3N11O+4
and a molecular weight of 4270.59 g/mol. Its IUPAC name is 6-tert-butyl-1-phenylisoquinoline;bis(6-tert-butyl-1-phenylisoquinolin-2-ium);bis(2,4-diphenylpyridin-1-ium);tris(iridium);1-phenylisoquinoline;bis(1-phenylisoquinolin-2-ium);4-phenyl-2-phenylpyridine;4,6,10,12-tetrakis(4-tert-butylphenyl)-8-(4-methoxyphenyl)-3-aza-1-azoniatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaene;7,14,25,32-tetraphenylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(37),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34(38),35,39-icosaene.
Frequently Asked Questions
What is the IUPAC name of 6-tert-butyl-1-phenylisoquinoline;bis(6-tert-butyl-1-phenylisoquinolin-2-ium);bis(2,4-diphenylpyridin-1-ium);tris(iridium);1-phenylisoquinoline;bis(1-phenylisoquinolin-2-ium);4-phenyl-2-phenylpyridine;4,6,10,12-tetrakis(4-tert-butylphenyl)-8-(4-methoxyphenyl)-3-aza-1-azoniatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaene;7,14,25,32-tetraphenylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(37),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34(38),35,39-icosaene?
The IUPAC name of 6-tert-butyl-1-phenylisoquinoline;bis(6-tert-butyl-1-phenylisoquinolin-2-ium);bis(2,4-diphenylpyridin-1-ium);tris(iridium);1-phenylisoquinoline;bis(1-phenylisoquinolin-2-ium);4-phenyl-2-phenylpyridine;4,6,10,12-tetrakis(4-tert-butylphenyl)-8-(4-methoxyphenyl)-3-aza-1-azoniatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaene;7,14,25,32-tetraphenylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(37),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34(38),35,39-icosaene (CID 159893318) is 6-tert-butyl-1-phenylisoquinoline;bis(6-tert-butyl-1-phenylisoquinolin-2-ium);bis(2,4-diphenylpyridin-1-ium);tris(iridium);1-phenylisoquinoline;bis(1-phenylisoquinolin-2-ium);4-phenyl-2-phenylpyridine;4,6,10,12-tetrakis(4-tert-butylphenyl)-8-(4-methoxyphenyl)-3-aza-1-azoniatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaene;7,14,25,32-tetraphenylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(37),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34(38),35,39-icosaene.
What is the SMILES notation for 6-tert-butyl-1-phenylisoquinoline;bis(6-tert-butyl-1-phenylisoquinolin-2-ium);bis(2,4-diphenylpyridin-1-ium);tris(iridium);1-phenylisoquinoline;bis(1-phenylisoquinolin-2-ium);4-phenyl-2-phenylpyridine;4,6,10,12-tetrakis(4-tert-butylphenyl)-8-(4-methoxyphenyl)-3-aza-1-azoniatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaene;7,14,25,32-tetraphenylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(37),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34(38),35,39-icosaene?
The canonical SMILES for 6-tert-butyl-1-phenylisoquinoline;bis(6-tert-butyl-1-phenylisoquinolin-2-ium);bis(2,4-diphenylpyridin-1-ium);tris(iridium);1-phenylisoquinoline;bis(1-phenylisoquinolin-2-ium);4-phenyl-2-phenylpyridine;4,6,10,12-tetrakis(4-tert-butylphenyl)-8-(4-methoxyphenyl)-3-aza-1-azoniatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaene;7,14,25,32-tetraphenylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(37),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34(38),35,39-icosaene is CC(C)(C)c1ccc2c(-c3[c-]cccc3)nccc2c1.CC(C)(C)c1ccc2c(-c3ccccc3)[nH+]ccc2c1.CC(C)(C)c1ccc2c(-c3ccccc3)[nH+]ccc2c1.COc1ccc(C2=C3C(c4ccc(C(C)(C)C)cc4)=CC(c4ccc(C(C)(C)C)cc4)=[N+]3Cn3c(-c4ccc(C(C)(C)C)cc4)cc(-c4ccc(C(C)(C)C)cc4)c32)cc1.[Ir].[Ir].[Ir].[c-]1ccccc1-c1cc(-c2ccccc2)ccn1.[c-]1ccccc1-c1nccc2ccccc12.c1ccc(-c2[nH+]ccc3ccccc23)cc1.c1ccc(-c2[nH+]ccc3ccccc23)cc1.c1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2ccc4c5ccc6c7c(ccc(c8ccc-3c2c84)c75)-c2c-6c(-c3ccccc3)c3ccccc3c2-c2ccccc2)cc1.c1ccc(-c2cc[nH+]c(-c3ccccc3)c2)cc1.c1ccc(-c2cc[nH+]c(-c3ccccc3)c2)cc1.
What is the InChIKey of 6-tert-butyl-1-phenylisoquinoline;bis(6-tert-butyl-1-phenylisoquinolin-2-ium);bis(2,4-diphenylpyridin-1-ium);tris(iridium);1-phenylisoquinoline;bis(1-phenylisoquinolin-2-ium);4-phenyl-2-phenylpyridine;4,6,10,12-tetrakis(4-tert-butylphenyl)-8-(4-methoxyphenyl)-3-aza-1-azoniatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaene;7,14,25,32-tetraphenylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(37),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34(38),35,39-icosaene?
The InChIKey is IABCSHLYLWHDOD-UHFFFAOYSA-T. The full InChI is InChI=1S/C64H36.C57H63N2O.2C19H19N.C19H18N.2C17H13N.C17H12N.2C15H11N.C15H10N.3Ir/c1-5-17-37(18-6-1)53-41-25-13-14-26-42(41)54(38-19-7-2-8-20-38)62-50-34-30-46-48-32-36-52-60-51(35-31-47(58(48)60)45-29-33-49(61(53)62)59(50)57(45)46)63-55(39-21-9-3-10-22-39)43-27-15-16-28-44(43)56(64(52)63)40-23-11-4-12-24-40;1-54(2,3)42-24-14-37(15-25-42)47-34-49(39-18-28-44(29-19-39)56(7,8)9)58-36-59-50(40-20-30-45(31-21-40)57(10,11)12)35-48(38-16-26-43(27-17-38)55(4,5)6)53(59)51(52(47)58)41-22-32-46(60-13)33-23-41;3*1-19(2,3)16-9-10-17-15(13-16)11-12-20-18(17)14-7-5-4-6-8-14;3*1-3-7-14(8-4-1)16-11-12-18-17(13-16)15-9-5-2-6-10-15;3*1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;;;/h1-36H;14-35H,36H2,1-13H3;2*4-13H,1-3H3;4-7,9-13H,1-3H3;2*1-13H;1-9,11-13H;2*1-11H;1-7,9-11H;;;/q;+1;;;-1;;;-1;;;-1;;;/p+6.
What are the key properties of 6-tert-butyl-1-phenylisoquinoline;bis(6-tert-butyl-1-phenylisoquinolin-2-ium);bis(2,4-diphenylpyridin-1-ium);tris(iridium);1-phenylisoquinoline;bis(1-phenylisoquinolin-2-ium);4-phenyl-2-phenylpyridine;4,6,10,12-tetrakis(4-tert-butylphenyl)-8-(4-methoxyphenyl)-3-aza-1-azoniatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaene;7,14,25,32-tetraphenylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(37),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34(38),35,39-icosaene?
6-tert-butyl-1-phenylisoquinoline;bis(6-tert-butyl-1-phenylisoquinolin-2-ium);bis(2,4-diphenylpyridin-1-ium);tris(iridium);1-phenylisoquinoline;bis(1-phenylisoquinolin-2-ium);4-phenyl-2-phenylpyridine;4,6,10,12-tetrakis(4-tert-butylphenyl)-8-(4-methoxyphenyl)-3-aza-1-azoniatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaene;7,14,25,32-tetraphenylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(37),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34(38),35,39-icosaene has a molecular weight of 4270.59 g/mol, XLogP of 68.81, 22 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-1-phenylisoquinoline;bis(6-tert-butyl-1-phenylisoquinolin-2-ium);bis(2,4-diphenylpyridin-1-ium);tris(iridium);1-phenylisoquinoline;bis(1-phenylisoquinolin-2-ium);4-phenyl-2-phenylpyridine;4,6,10,12-tetrakis(4-tert-butylphenyl)-8-(4-methoxyphenyl)-3-aza-1-azoniatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaene;7,14,25,32-tetraphenylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(37),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34(38),35,39-icosaene is sourced from PubChem (CID 159893318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).