About 30,37-bis(2-fluorophenyl)-19-(2-methylphenyl)tetradecacyclo[22.21.2.225,28.13,10.02,20.04,9.011,16.021,46.026,42.027,39.029,38.031,36.043,47.018,50]pentaconta-1(46),2,4,6,8,10(50),11,13,15,17,19,21,23,25(49),26(42),27(39),28(48),29,31,33,35,37,40,43(47),44-pentacosaene;30,37-bis[4-fluoro-2-(trifluoromethyl)phenyl]-19-phenyltetradecacyclo[22.21.2.225,28.13,10.02,20.04,9.011,16.021,46.026,42.027,39.029,38.031,36.043,47.018,50]pentaconta-1(46),2,4,6,8,10(50),11,13,15,17,19,21,23,25(49),26(42),27(39),28(48),29,31,33,35,37,40,43(47),44-pentacosaene;7-tert-butyl-30,37-bis(2-methylphenyl)-17-phenyltetradecacyclo[22.21.2.225,28.13,10.02,20.04,9.011,16.021,46.026,42.027,39.029,38.031,36.043,47.018,50]pentaconta-1(45),2,4(9),5,7,10(50),11,13,15,17,19,21(46),22,24(47),25,27,29,31,33,35,37,39,41,43,48-pentacosaene;13-(2,6-dimethylphenyl)-30,37-bis(2-methylphenyl)-19-phenyltetradecacyclo[22.21.2.225,28.13,10.02,20.04,9.011,16.021,46.026,42.027,39.029,38.031,36.043,47.018,50]pentaconta-1(46),2,4,6,8,10,12,14,16,18(50),19,21,23,25(49),26(42),27(39),28(48),29,31,33,35,37,40,43(47),44-pentacosaene;13,14-dimethyl-17,30,37-tris(2-methylphenyl)tetradecacyclo[22.21.2.225,28.13,10.02,20.04,9.011,16.021,46.026,42.027,39.029,38.031,36.043,47.018,50]pentaconta-1(45),2,4,6,8,10(50),11(16),12,14,17,19,21(46),22,24(47),25,27,29,31,33,35,37,39,41,43,48-pentacosaene;7-fluoro-19-(2-fluorophenyl)-30,37-di(propan-2-yl)tetradecacyclo[22.21.2.225,28.13,10.02,20.04,9.011,16.021,46.026,42.027,39.029,38.031,36.043,47.018,50]pentaconta-1(46),2,4(9),5,7,10(50),11,13,15,17,19,21,23,25(49),26(42),27(39),28(48),29,31,33,35,37,40,43(47),44-pentacosaene;3-[19-(2-methylphenyl)-30-pyridin-3-yl-37-tetradecacyclo[22.21.2.225,28.13,10.02,20.04,9.011,16.021,46.026,42.027,39.029,38.031,36.043,47.018,50]pentaconta-1(46),2,4,6,8,10(50),11,13,15,17,19,21,23,25(49),26(42),27(39),28(48),29,31,33,35,37,40,43(47),44-pentacosaenyl]pyridine
30,37-bis(2-fluorophenyl)-19-(2-methylphenyl)tetradecacyclo[22.21.2.225,28.13,10.02,20.04,9.011,16.021,46.026,42.027,39.029,38.031,36.043,47.018,50]pentaconta-1(46),2,4,6,8,10(50),11,13,15,17,19,21,23,25(49),26(42),27(39),28(48),29,31,33,35,37,40,43(47),44-pentacosaene;30,37-bis[4-fluoro-2-(trifluoromethyl)phenyl]-19-phenyltetradecacyclo[22.21.2.225,28.13,10.02,20.04,9.011,16.021,46.026,42.027,39.029,38.031,36.043,47.018,50]pentaconta-1(46),2,4,6,8,10(50),11,13,15,17,19,21,23,25(49),26(42),27(39),28(48),29,31,33,35,37,40,43(47),44-pentacosaene;7-tert-butyl-30,37-bis(2-methylphenyl)-17-phenyltetradecacyclo[22.21.2.225,28.13,10.02,20.04,9.011,16.021,46.026,42.027,39.029,38.031,36.043,47.018,50]pentaconta-1(45),2,4(9),5,7,10(50),11,13,15,17,19,21(46),22,24(47),25,27,29,31,33,35,37,39,41,43,48-pentacosaene;13-(2,6-dimethylphenyl)-30,37-bis(2-methylphenyl)-19-phenyltetradecacyclo[22.21.2.225,28.13,10.02,20.04,9.011,16.021,46.026,42.027,39.029,38.031,36.043,47.018,50]pentaconta-1(46),2,4,6,8,10,12,14,16,18(50),19,21,23,25(49),26(42),27(39),28(48),29,31,33,35,37,40,43(47),44-pentacosaene;13,14-dimethyl-17,30,37-tris(2-methylphenyl)tetradecacyclo[22.21.2.225,28.13,10.02,20.04,9.011,16.021,46.026,42.027,39.029,38.031,36.043,47.018,50]pentaconta-1(45),2,4,6,8,10(50),11(16),12,14,17,19,21(46),22,24(47),25,27,29,31,33,35,37,39,41,43,48-pentacosaene;7-fluoro-19-(2-fluorophenyl)-30,37-di(propan-2-yl)tetradecacyclo[22.21.2.225,28.13,10.02,20.04,9.011,16.021,46.026,42.027,39.029,38.031,36.043,47.018,50]pentaconta-1(46),2,4(9),5,7,10(50),11,13,15,17,19,21,23,25(49),26(42),27(39),28(48),29,31,33,35,37,40,43(47),44-pentacosaene;3-[19-(2-methylphenyl)-30-pyridin-3-yl-37-tetradecacyclo[22.21.2.225,28.13,10.02,20.04,9.011,16.021,46.026,42.027,39.029,38.031,36.043,47.018,50]pentaconta-1(46),2,4,6,8,10(50),11,13,15,17,19,21,23,25(49),26(42),27(39),28(48),29,31,33,35,37,40,43(47),44-pentacosaenyl]pyridine (PubChem CID 157356034) has the molecular formula C493H284F12N2
and a molecular weight of 6463.69 g/mol. Its IUPAC name is 30,37-bis(2-fluorophenyl)-19-(2-methylphenyl)tetradecacyclo[22.21.2.225,28.13,10.02,20.04,9.011,16.021,46.026,42.027,39.029,38.031,36.043,47.018,50]pentaconta-1(46),2,4,6,8,10(50),11,13,15,17,19,21,23,25(49),26(42),27(39),28(48),29,31,33,35,37,40,43(47),44-pentacosaene;30,37-bis[4-fluoro-2-(trifluoromethyl)phenyl]-19-phenyltetradecacyclo[22.21.2.225,28.13,10.02,20.04,9.011,16.021,46.026,42.027,39.029,38.031,36.043,47.018,50]pentaconta-1(46),2,4,6,8,10(50),11,13,15,17,19,21,23,25(49),26(42),27(39),28(48),29,31,33,35,37,40,43(47),44-pentacosaene;7-tert-butyl-30,37-bis(2-methylphenyl)-17-phenyltetradecacyclo[22.21.2.225,28.13,10.02,20.04,9.011,16.021,46.026,42.027,39.029,38.031,36.043,47.018,50]pentaconta-1(45),2,4(9),5,7,10(50),11,13,15,17,19,21(46),22,24(47),25,27,29,31,33,35,37,39,41,43,48-pentacosaene;13-(2,6-dimethylphenyl)-30,37-bis(2-methylphenyl)-19-phenyltetradecacyclo[22.21.2.225,28.13,10.02,20.04,9.011,16.021,46.026,42.027,39.029,38.031,36.043,47.018,50]pentaconta-1(46),2,4,6,8,10,12,14,16,18(50),19,21,23,25(49),26(42),27(39),28(48),29,31,33,35,37,40,43(47),44-pentacosaene;13,14-dimethyl-17,30,37-tris(2-methylphenyl)tetradecacyclo[22.21.2.225,28.13,10.02,20.04,9.011,16.021,46.026,42.027,39.029,38.031,36.043,47.018,50]pentaconta-1(45),2,4,6,8,10(50),11(16),12,14,17,19,21(46),22,24(47),25,27,29,31,33,35,37,39,41,43,48-pentacosaene;7-fluoro-19-(2-fluorophenyl)-30,37-di(propan-2-yl)tetradecacyclo[22.21.2.225,28.13,10.02,20.04,9.011,16.021,46.026,42.027,39.029,38.031,36.043,47.018,50]pentaconta-1(46),2,4(9),5,7,10(50),11,13,15,17,19,21,23,25(49),26(42),27(39),28(48),29,31,33,35,37,40,43(47),44-pentacosaene;3-[19-(2-methylphenyl)-30-pyridin-3-yl-37-tetradecacyclo[22.21.2.225,28.13,10.02,20.04,9.011,16.021,46.026,42.027,39.029,38.031,36.043,47.018,50]pentaconta-1(46),2,4,6,8,10(50),11,13,15,17,19,21,23,25(49),26(42),27(39),28(48),29,31,33,35,37,40,43(47),44-pentacosaenyl]pyridine.
Frequently Asked Questions
What is the IUPAC name of 30,37-bis(2-fluorophenyl)-19-(2-methylphenyl)tetradecacyclo[22.21.2.225,28.13,10.02,20.04,9.011,16.021,46.026,42.027,39.029,38.031,36.043,47.018,50]pentaconta-1(46),2,4,6,8,10(50),11,13,15,17,19,21,23,25(49),26(42),27(39),28(48),29,31,33,35,37,40,43(47),44-pentacosaene;30,37-bis[4-fluoro-2-(trifluoromethyl)phenyl]-19-phenyltetradecacyclo[22.21.2.225,28.13,10.02,20.04,9.011,16.021,46.026,42.027,39.029,38.031,36.043,47.018,50]pentaconta-1(46),2,4,6,8,10(50),11,13,15,17,19,21,23,25(49),26(42),27(39),28(48),29,31,33,35,37,40,43(47),44-pentacosaene;7-tert-butyl-30,37-bis(2-methylphenyl)-17-phenyltetradecacyclo[22.21.2.225,28.13,10.02,20.04,9.011,16.021,46.026,42.027,39.029,38.031,36.043,47.018,50]pentaconta-1(45),2,4(9),5,7,10(50),11,13,15,17,19,21(46),22,24(47),25,27,29,31,33,35,37,39,41,43,48-pentacosaene;13-(2,6-dimethylphenyl)-30,37-bis(2-methylphenyl)-19-phenyltetradecacyclo[22.21.2.225,28.13,10.02,20.04,9.011,16.021,46.026,42.027,39.029,38.031,36.043,47.018,50]pentaconta-1(46),2,4,6,8,10,12,14,16,18(50),19,21,23,25(49),26(42),27(39),28(48),29,31,33,35,37,40,43(47),44-pentacosaene;13,14-dimethyl-17,30,37-tris(2-methylphenyl)tetradecacyclo[22.21.2.225,28.13,10.02,20.04,9.011,16.021,46.026,42.027,39.029,38.031,36.043,47.018,50]pentaconta-1(45),2,4,6,8,10(50),11(16),12,14,17,19,21(46),22,24(47),25,27,29,31,33,35,37,39,41,43,48-pentacosaene;7-fluoro-19-(2-fluorophenyl)-30,37-di(propan-2-yl)tetradecacyclo[22.21.2.225,28.13,10.02,20.04,9.011,16.021,46.026,42.027,39.029,38.031,36.043,47.018,50]pentaconta-1(46),2,4(9),5,7,10(50),11,13,15,17,19,21,23,25(49),26(42),27(39),28(48),29,31,33,35,37,40,43(47),44-pentacosaene;3-[19-(2-methylphenyl)-30-pyridin-3-yl-37-tetradecacyclo[22.21.2.225,28.13,10.02,20.04,9.011,16.021,46.026,42.027,39.029,38.031,36.043,47.018,50]pentaconta-1(46),2,4,6,8,10(50),11,13,15,17,19,21,23,25(49),26(42),27(39),28(48),29,31,33,35,37,40,43(47),44-pentacosaenyl]pyridine?
The IUPAC name of 30,37-bis(2-fluorophenyl)-19-(2-methylphenyl)tetradecacyclo[22.21.2.225,28.13,10.02,20.04,9.011,16.021,46.026,42.027,39.029,38.031,36.043,47.018,50]pentaconta-1(46),2,4,6,8,10(50),11,13,15,17,19,21,23,25(49),26(42),27(39),28(48),29,31,33,35,37,40,43(47),44-pentacosaene;30,37-bis[4-fluoro-2-(trifluoromethyl)phenyl]-19-phenyltetradecacyclo[22.21.2.225,28.13,10.02,20.04,9.011,16.021,46.026,42.027,39.029,38.031,36.043,47.018,50]pentaconta-1(46),2,4,6,8,10(50),11,13,15,17,19,21,23,25(49),26(42),27(39),28(48),29,31,33,35,37,40,43(47),44-pentacosaene;7-tert-butyl-30,37-bis(2-methylphenyl)-17-phenyltetradecacyclo[22.21.2.225,28.13,10.02,20.04,9.011,16.021,46.026,42.027,39.029,38.031,36.043,47.018,50]pentaconta-1(45),2,4(9),5,7,10(50),11,13,15,17,19,21(46),22,24(47),25,27,29,31,33,35,37,39,41,43,48-pentacosaene;13-(2,6-dimethylphenyl)-30,37-bis(2-methylphenyl)-19-phenyltetradecacyclo[22.21.2.225,28.13,10.02,20.04,9.011,16.021,46.026,42.027,39.029,38.031,36.043,47.018,50]pentaconta-1(46),2,4,6,8,10,12,14,16,18(50),19,21,23,25(49),26(42),27(39),28(48),29,31,33,35,37,40,43(47),44-pentacosaene;13,14-dimethyl-17,30,37-tris(2-methylphenyl)tetradecacyclo[22.21.2.225,28.13,10.02,20.04,9.011,16.021,46.026,42.027,39.029,38.031,36.043,47.018,50]pentaconta-1(45),2,4,6,8,10(50),11(16),12,14,17,19,21(46),22,24(47),25,27,29,31,33,35,37,39,41,43,48-pentacosaene;7-fluoro-19-(2-fluorophenyl)-30,37-di(propan-2-yl)tetradecacyclo[22.21.2.225,28.13,10.02,20.04,9.011,16.021,46.026,42.027,39.029,38.031,36.043,47.018,50]pentaconta-1(46),2,4(9),5,7,10(50),11,13,15,17,19,21,23,25(49),26(42),27(39),28(48),29,31,33,35,37,40,43(47),44-pentacosaene;3-[19-(2-methylphenyl)-30-pyridin-3-yl-37-tetradecacyclo[22.21.2.225,28.13,10.02,20.04,9.011,16.021,46.026,42.027,39.029,38.031,36.043,47.018,50]pentaconta-1(46),2,4,6,8,10(50),11,13,15,17,19,21,23,25(49),26(42),27(39),28(48),29,31,33,35,37,40,43(47),44-pentacosaenyl]pyridine (CID 157356034) is 30,37-bis(2-fluorophenyl)-19-(2-methylphenyl)tetradecacyclo[22.21.2.225,28.13,10.02,20.04,9.011,16.021,46.026,42.027,39.029,38.031,36.043,47.018,50]pentaconta-1(46),2,4,6,8,10(50),11,13,15,17,19,21,23,25(49),26(42),27(39),28(48),29,31,33,35,37,40,43(47),44-pentacosaene;30,37-bis[4-fluoro-2-(trifluoromethyl)phenyl]-19-phenyltetradecacyclo[22.21.2.225,28.13,10.02,20.04,9.011,16.021,46.026,42.027,39.029,38.031,36.043,47.018,50]pentaconta-1(46),2,4,6,8,10(50),11,13,15,17,19,21,23,25(49),26(42),27(39),28(48),29,31,33,35,37,40,43(47),44-pentacosaene;7-tert-butyl-30,37-bis(2-methylphenyl)-17-phenyltetradecacyclo[22.21.2.225,28.13,10.02,20.04,9.011,16.021,46.026,42.027,39.029,38.031,36.043,47.018,50]pentaconta-1(45),2,4(9),5,7,10(50),11,13,15,17,19,21(46),22,24(47),25,27,29,31,33,35,37,39,41,43,48-pentacosaene;13-(2,6-dimethylphenyl)-30,37-bis(2-methylphenyl)-19-phenyltetradecacyclo[22.21.2.225,28.13,10.02,20.04,9.011,16.021,46.026,42.027,39.029,38.031,36.043,47.018,50]pentaconta-1(46),2,4,6,8,10,12,14,16,18(50),19,21,23,25(49),26(42),27(39),28(48),29,31,33,35,37,40,43(47),44-pentacosaene;13,14-dimethyl-17,30,37-tris(2-methylphenyl)tetradecacyclo[22.21.2.225,28.13,10.02,20.04,9.011,16.021,46.026,42.027,39.029,38.031,36.043,47.018,50]pentaconta-1(45),2,4,6,8,10(50),11(16),12,14,17,19,21(46),22,24(47),25,27,29,31,33,35,37,39,41,43,48-pentacosaene;7-fluoro-19-(2-fluorophenyl)-30,37-di(propan-2-yl)tetradecacyclo[22.21.2.225,28.13,10.02,20.04,9.011,16.021,46.026,42.027,39.029,38.031,36.043,47.018,50]pentaconta-1(46),2,4(9),5,7,10(50),11,13,15,17,19,21,23,25(49),26(42),27(39),28(48),29,31,33,35,37,40,43(47),44-pentacosaene;3-[19-(2-methylphenyl)-30-pyridin-3-yl-37-tetradecacyclo[22.21.2.225,28.13,10.02,20.04,9.011,16.021,46.026,42.027,39.029,38.031,36.043,47.018,50]pentaconta-1(46),2,4,6,8,10(50),11,13,15,17,19,21,23,25(49),26(42),27(39),28(48),29,31,33,35,37,40,43(47),44-pentacosaenyl]pyridine.
What is the SMILES notation for 30,37-bis(2-fluorophenyl)-19-(2-methylphenyl)tetradecacyclo[22.21.2.225,28.13,10.02,20.04,9.011,16.021,46.026,42.027,39.029,38.031,36.043,47.018,50]pentaconta-1(46),2,4,6,8,10(50),11,13,15,17,19,21,23,25(49),26(42),27(39),28(48),29,31,33,35,37,40,43(47),44-pentacosaene;30,37-bis[4-fluoro-2-(trifluoromethyl)phenyl]-19-phenyltetradecacyclo[22.21.2.225,28.13,10.02,20.04,9.011,16.021,46.026,42.027,39.029,38.031,36.043,47.018,50]pentaconta-1(46),2,4,6,8,10(50),11,13,15,17,19,21,23,25(49),26(42),27(39),28(48),29,31,33,35,37,40,43(47),44-pentacosaene;7-tert-butyl-30,37-bis(2-methylphenyl)-17-phenyltetradecacyclo[22.21.2.225,28.13,10.02,20.04,9.011,16.021,46.026,42.027,39.029,38.031,36.043,47.018,50]pentaconta-1(45),2,4(9),5,7,10(50),11,13,15,17,19,21(46),22,24(47),25,27,29,31,33,35,37,39,41,43,48-pentacosaene;13-(2,6-dimethylphenyl)-30,37-bis(2-methylphenyl)-19-phenyltetradecacyclo[22.21.2.225,28.13,10.02,20.04,9.011,16.021,46.026,42.027,39.029,38.031,36.043,47.018,50]pentaconta-1(46),2,4,6,8,10,12,14,16,18(50),19,21,23,25(49),26(42),27(39),28(48),29,31,33,35,37,40,43(47),44-pentacosaene;13,14-dimethyl-17,30,37-tris(2-methylphenyl)tetradecacyclo[22.21.2.225,28.13,10.02,20.04,9.011,16.021,46.026,42.027,39.029,38.031,36.043,47.018,50]pentaconta-1(45),2,4,6,8,10(50),11(16),12,14,17,19,21(46),22,24(47),25,27,29,31,33,35,37,39,41,43,48-pentacosaene;7-fluoro-19-(2-fluorophenyl)-30,37-di(propan-2-yl)tetradecacyclo[22.21.2.225,28.13,10.02,20.04,9.011,16.021,46.026,42.027,39.029,38.031,36.043,47.018,50]pentaconta-1(46),2,4(9),5,7,10(50),11,13,15,17,19,21,23,25(49),26(42),27(39),28(48),29,31,33,35,37,40,43(47),44-pentacosaene;3-[19-(2-methylphenyl)-30-pyridin-3-yl-37-tetradecacyclo[22.21.2.225,28.13,10.02,20.04,9.011,16.021,46.026,42.027,39.029,38.031,36.043,47.018,50]pentaconta-1(46),2,4,6,8,10(50),11,13,15,17,19,21,23,25(49),26(42),27(39),28(48),29,31,33,35,37,40,43(47),44-pentacosaenyl]pyridine?
The canonical SMILES for 30,37-bis(2-fluorophenyl)-19-(2-methylphenyl)tetradecacyclo[22.21.2.225,28.13,10.02,20.04,9.011,16.021,46.026,42.027,39.029,38.031,36.043,47.018,50]pentaconta-1(46),2,4,6,8,10(50),11,13,15,17,19,21,23,25(49),26(42),27(39),28(48),29,31,33,35,37,40,43(47),44-pentacosaene;30,37-bis[4-fluoro-2-(trifluoromethyl)phenyl]-19-phenyltetradecacyclo[22.21.2.225,28.13,10.02,20.04,9.011,16.021,46.026,42.027,39.029,38.031,36.043,47.018,50]pentaconta-1(46),2,4,6,8,10(50),11,13,15,17,19,21,23,25(49),26(42),27(39),28(48),29,31,33,35,37,40,43(47),44-pentacosaene;7-tert-butyl-30,37-bis(2-methylphenyl)-17-phenyltetradecacyclo[22.21.2.225,28.13,10.02,20.04,9.011,16.021,46.026,42.027,39.029,38.031,36.043,47.018,50]pentaconta-1(45),2,4(9),5,7,10(50),11,13,15,17,19,21(46),22,24(47),25,27,29,31,33,35,37,39,41,43,48-pentacosaene;13-(2,6-dimethylphenyl)-30,37-bis(2-methylphenyl)-19-phenyltetradecacyclo[22.21.2.225,28.13,10.02,20.04,9.011,16.021,46.026,42.027,39.029,38.031,36.043,47.018,50]pentaconta-1(46),2,4,6,8,10,12,14,16,18(50),19,21,23,25(49),26(42),27(39),28(48),29,31,33,35,37,40,43(47),44-pentacosaene;13,14-dimethyl-17,30,37-tris(2-methylphenyl)tetradecacyclo[22.21.2.225,28.13,10.02,20.04,9.011,16.021,46.026,42.027,39.029,38.031,36.043,47.018,50]pentaconta-1(45),2,4,6,8,10(50),11(16),12,14,17,19,21(46),22,24(47),25,27,29,31,33,35,37,39,41,43,48-pentacosaene;7-fluoro-19-(2-fluorophenyl)-30,37-di(propan-2-yl)tetradecacyclo[22.21.2.225,28.13,10.02,20.04,9.011,16.021,46.026,42.027,39.029,38.031,36.043,47.018,50]pentaconta-1(46),2,4(9),5,7,10(50),11,13,15,17,19,21,23,25(49),26(42),27(39),28(48),29,31,33,35,37,40,43(47),44-pentacosaene;3-[19-(2-methylphenyl)-30-pyridin-3-yl-37-tetradecacyclo[22.21.2.225,28.13,10.02,20.04,9.011,16.021,46.026,42.027,39.029,38.031,36.043,47.018,50]pentaconta-1(46),2,4,6,8,10(50),11,13,15,17,19,21,23,25(49),26(42),27(39),28(48),29,31,33,35,37,40,43(47),44-pentacosaenyl]pyridine is CC(C)c1c2c(c(C(C)C)c3ccccc13)-c1ccc3c4ccc5c6c(ccc(c7ccc-2c1c73)c46)c1c(-c2ccccc2F)c2cc3ccccc3c3c4cc(F)ccc4c(c51)c23.Cc1cc2c(-c3ccccc3C)c3cc4c5ccc6c7ccc8c9c(ccc(c%10ccc(c5c6%10)c4c4c5ccccc5c(c2cc1C)c34)c97)-c1c-8c(-c2ccccc2C)c2ccccc2c1-c1ccccc1C.Cc1ccccc1-c1c2c(c(-c3ccccc3C)c3ccccc13)-c1ccc3c4ccc5c6c(ccc(c7ccc-2c1c73)c46)c1c(-c2ccccc2)c2cc3ccc(-c4c(C)cccc4C)cc3c3c4ccccc4c(c51)c23.Cc1ccccc1-c1c2c(c(-c3ccccc3C)c3ccccc13)-c1ccc3c4ccc5c6c(ccc(c7ccc-2c1c73)c46)c1cc2c(-c3ccccc3)c3ccccc3c3c4cc(C(C)(C)C)ccc4c(c15)c23.Cc1ccccc1-c1c2cc3ccccc3c3c4ccccc4c(c4c5ccc6c7ccc8c9c(ccc(c%10ccc(c14)c5c%106)c97)-c1c-8c(-c4ccccc4F)c4ccccc4c1-c1ccccc1F)c23.Cc1ccccc1-c1c2cc3ccccc3c3c4ccccc4c(c4c5ccc6c7ccc8c9c(ccc(c%10ccc(c14)c5c%106)c97)-c1c-8c(-c4cccnc4)c4ccccc4c1-c1cccnc1)c23.Fc1ccc(-c2c3c(c(-c4ccc(F)cc4C(F)(F)F)c4ccccc24)-c2ccc4c5ccc6c7c(ccc(c8ccc-3c2c84)c57)c2c(-c3ccccc3)c3cc4ccccc4c4c5ccccc5c(c62)c34)c(C(F)(F)F)c1.
What is the InChIKey of 30,37-bis(2-fluorophenyl)-19-(2-methylphenyl)tetradecacyclo[22.21.2.225,28.13,10.02,20.04,9.011,16.021,46.026,42.027,39.029,38.031,36.043,47.018,50]pentaconta-1(46),2,4,6,8,10(50),11,13,15,17,19,21,23,25(49),26(42),27(39),28(48),29,31,33,35,37,40,43(47),44-pentacosaene;30,37-bis[4-fluoro-2-(trifluoromethyl)phenyl]-19-phenyltetradecacyclo[22.21.2.225,28.13,10.02,20.04,9.011,16.021,46.026,42.027,39.029,38.031,36.043,47.018,50]pentaconta-1(46),2,4,6,8,10(50),11,13,15,17,19,21,23,25(49),26(42),27(39),28(48),29,31,33,35,37,40,43(47),44-pentacosaene;7-tert-butyl-30,37-bis(2-methylphenyl)-17-phenyltetradecacyclo[22.21.2.225,28.13,10.02,20.04,9.011,16.021,46.026,42.027,39.029,38.031,36.043,47.018,50]pentaconta-1(45),2,4(9),5,7,10(50),11,13,15,17,19,21(46),22,24(47),25,27,29,31,33,35,37,39,41,43,48-pentacosaene;13-(2,6-dimethylphenyl)-30,37-bis(2-methylphenyl)-19-phenyltetradecacyclo[22.21.2.225,28.13,10.02,20.04,9.011,16.021,46.026,42.027,39.029,38.031,36.043,47.018,50]pentaconta-1(46),2,4,6,8,10,12,14,16,18(50),19,21,23,25(49),26(42),27(39),28(48),29,31,33,35,37,40,43(47),44-pentacosaene;13,14-dimethyl-17,30,37-tris(2-methylphenyl)tetradecacyclo[22.21.2.225,28.13,10.02,20.04,9.011,16.021,46.026,42.027,39.029,38.031,36.043,47.018,50]pentaconta-1(45),2,4,6,8,10(50),11(16),12,14,17,19,21(46),22,24(47),25,27,29,31,33,35,37,39,41,43,48-pentacosaene;7-fluoro-19-(2-fluorophenyl)-30,37-di(propan-2-yl)tetradecacyclo[22.21.2.225,28.13,10.02,20.04,9.011,16.021,46.026,42.027,39.029,38.031,36.043,47.018,50]pentaconta-1(46),2,4(9),5,7,10(50),11,13,15,17,19,21,23,25(49),26(42),27(39),28(48),29,31,33,35,37,40,43(47),44-pentacosaene;3-[19-(2-methylphenyl)-30-pyridin-3-yl-37-tetradecacyclo[22.21.2.225,28.13,10.02,20.04,9.011,16.021,46.026,42.027,39.029,38.031,36.043,47.018,50]pentaconta-1(46),2,4,6,8,10(50),11,13,15,17,19,21,23,25(49),26(42),27(39),28(48),29,31,33,35,37,40,43(47),44-pentacosaenyl]pyridine?
The InChIKey is BICAEAHYSPWCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H48.C74H48.C73H46.C70H32F8.C69H36F2.C67H36N2.C62H38F2/c1-41-17-8-10-23-48(41)66-50-25-12-13-26-51(50)67(49-24-11-9-18-42(49)2)76-60-37-33-56-57-34-38-61-71-58(35-31-54(68(57)71)55-32-36-59(75(66)76)72(60)69(55)56)74-65(45-21-6-5-7-22-45)63-39-46-29-30-47(64-43(3)19-16-20-44(64)4)40-62(46)70-52-27-14-15-28-53(52)73(77(61)74)78(63)70;1-39-17-9-11-21-43(39)62-47-25-15-16-26-48(47)63(44-22-12-10-18-40(44)2)72-57-36-33-52-50-31-34-55-66-53(30-29-49(64(50)66)51-32-35-56(71(62)72)68(57)65(51)52)59-38-60-61(41-19-7-6-8-20-41)45-23-13-14-24-46(45)67-58-37-42(74(3,4)5)27-28-54(58)70(69(55)59)73(60)67;1-37-16-6-9-19-42(37)61-57-34-40(4)41(5)35-58(57)67-47-24-14-15-25-48(47)70-69-54-31-28-50-52-30-33-56-68-55(32-29-51(65(52)68)49-26-27-53(66(54)64(49)50)59(69)36-60(61)73(67)70)71-62(43-20-10-7-17-38(43)2)45-22-12-13-23-46(45)63(72(56)71)44-21-11-8-18-39(44)3;71-35-18-20-46(53(31-35)69(73,74)75)59-38-14-6-7-15-39(38)60(47-21-19-36(72)32-54(47)70(76,77)78)66-50-28-24-44-45-25-29-51-61-48(26-22-42(57(45)61)43-23-27-49(65(59)66)62(50)58(43)44)64-55(33-10-2-1-3-11-33)52-30-34-12-4-5-13-37(34)56-40-16-8-9-17-41(40)63(67(51)64)68(52)56;1-35-14-2-4-16-37(35)56-53-34-36-15-3-5-17-38(36)57-41-20-8-9-21-42(41)64(69(53)57)68-52-33-29-46-44-28-32-51-62-50(31-27-43(58(44)62)45-26-30-49(65(56)68)63(52)59(45)46)66-60(47-22-10-12-24-54(47)70)39-18-6-7-19-40(39)61(67(51)66)48-23-11-13-25-55(48)71;1-35-12-2-4-16-39(35)56-53-32-36-13-3-5-17-40(36)57-43-20-8-9-21-44(43)62(67(53)57)66-52-29-25-48-46-23-27-50-60-49(26-22-45(58(46)60)47-24-28-51(65(56)66)61(52)59(47)48)63-54(37-14-10-30-68-33-37)41-18-6-7-19-42(41)55(64(50)63)38-15-11-31-69-34-38;1-29(2)49-34-13-7-8-14-35(34)50(30(3)4)59-43-24-20-37-39-22-26-45-56-44(25-21-38(53(39)56)36-19-23-42(58(49)59)55(43)52(36)37)60-54(41-15-9-10-16-48(41)64)47-27-31-11-5-6-12-33(31)51-46-28-32(63)17-18-40(46)57(61(45)60)62(47)51/h5-40H,1-4H3;6-38H,1-5H3;6-36H,1-5H3;1-32H;2-34H,1H3;2-34H,1H3;5-30H,1-4H3.
What are the key properties of 30,37-bis(2-fluorophenyl)-19-(2-methylphenyl)tetradecacyclo[22.21.2.225,28.13,10.02,20.04,9.011,16.021,46.026,42.027,39.029,38.031,36.043,47.018,50]pentaconta-1(46),2,4,6,8,10(50),11,13,15,17,19,21,23,25(49),26(42),27(39),28(48),29,31,33,35,37,40,43(47),44-pentacosaene;30,37-bis[4-fluoro-2-(trifluoromethyl)phenyl]-19-phenyltetradecacyclo[22.21.2.225,28.13,10.02,20.04,9.011,16.021,46.026,42.027,39.029,38.031,36.043,47.018,50]pentaconta-1(46),2,4,6,8,10(50),11,13,15,17,19,21,23,25(49),26(42),27(39),28(48),29,31,33,35,37,40,43(47),44-pentacosaene;7-tert-butyl-30,37-bis(2-methylphenyl)-17-phenyltetradecacyclo[22.21.2.225,28.13,10.02,20.04,9.011,16.021,46.026,42.027,39.029,38.031,36.043,47.018,50]pentaconta-1(45),2,4(9),5,7,10(50),11,13,15,17,19,21(46),22,24(47),25,27,29,31,33,35,37,39,41,43,48-pentacosaene;13-(2,6-dimethylphenyl)-30,37-bis(2-methylphenyl)-19-phenyltetradecacyclo[22.21.2.225,28.13,10.02,20.04,9.011,16.021,46.026,42.027,39.029,38.031,36.043,47.018,50]pentaconta-1(46),2,4,6,8,10,12,14,16,18(50),19,21,23,25(49),26(42),27(39),28(48),29,31,33,35,37,40,43(47),44-pentacosaene;13,14-dimethyl-17,30,37-tris(2-methylphenyl)tetradecacyclo[22.21.2.225,28.13,10.02,20.04,9.011,16.021,46.026,42.027,39.029,38.031,36.043,47.018,50]pentaconta-1(45),2,4,6,8,10(50),11(16),12,14,17,19,21(46),22,24(47),25,27,29,31,33,35,37,39,41,43,48-pentacosaene;7-fluoro-19-(2-fluorophenyl)-30,37-di(propan-2-yl)tetradecacyclo[22.21.2.225,28.13,10.02,20.04,9.011,16.021,46.026,42.027,39.029,38.031,36.043,47.018,50]pentaconta-1(46),2,4(9),5,7,10(50),11,13,15,17,19,21,23,25(49),26(42),27(39),28(48),29,31,33,35,37,40,43(47),44-pentacosaene;3-[19-(2-methylphenyl)-30-pyridin-3-yl-37-tetradecacyclo[22.21.2.225,28.13,10.02,20.04,9.011,16.021,46.026,42.027,39.029,38.031,36.043,47.018,50]pentaconta-1(46),2,4,6,8,10(50),11,13,15,17,19,21,23,25(49),26(42),27(39),28(48),29,31,33,35,37,40,43(47),44-pentacosaenyl]pyridine?
30,37-bis(2-fluorophenyl)-19-(2-methylphenyl)tetradecacyclo[22.21.2.225,28.13,10.02,20.04,9.011,16.021,46.026,42.027,39.029,38.031,36.043,47.018,50]pentaconta-1(46),2,4,6,8,10(50),11,13,15,17,19,21,23,25(49),26(42),27(39),28(48),29,31,33,35,37,40,43(47),44-pentacosaene;30,37-bis[4-fluoro-2-(trifluoromethyl)phenyl]-19-phenyltetradecacyclo[22.21.2.225,28.13,10.02,20.04,9.011,16.021,46.026,42.027,39.029,38.031,36.043,47.018,50]pentaconta-1(46),2,4,6,8,10(50),11,13,15,17,19,21,23,25(49),26(42),27(39),28(48),29,31,33,35,37,40,43(47),44-pentacosaene;7-tert-butyl-30,37-bis(2-methylphenyl)-17-phenyltetradecacyclo[22.21.2.225,28.13,10.02,20.04,9.011,16.021,46.026,42.027,39.029,38.031,36.043,47.018,50]pentaconta-1(45),2,4(9),5,7,10(50),11,13,15,17,19,21(46),22,24(47),25,27,29,31,33,35,37,39,41,43,48-pentacosaene;13-(2,6-dimethylphenyl)-30,37-bis(2-methylphenyl)-19-phenyltetradecacyclo[22.21.2.225,28.13,10.02,20.04,9.011,16.021,46.026,42.027,39.029,38.031,36.043,47.018,50]pentaconta-1(46),2,4,6,8,10,12,14,16,18(50),19,21,23,25(49),26(42),27(39),28(48),29,31,33,35,37,40,43(47),44-pentacosaene;13,14-dimethyl-17,30,37-tris(2-methylphenyl)tetradecacyclo[22.21.2.225,28.13,10.02,20.04,9.011,16.021,46.026,42.027,39.029,38.031,36.043,47.018,50]pentaconta-1(45),2,4,6,8,10(50),11(16),12,14,17,19,21(46),22,24(47),25,27,29,31,33,35,37,39,41,43,48-pentacosaene;7-fluoro-19-(2-fluorophenyl)-30,37-di(propan-2-yl)tetradecacyclo[22.21.2.225,28.13,10.02,20.04,9.011,16.021,46.026,42.027,39.029,38.031,36.043,47.018,50]pentaconta-1(46),2,4(9),5,7,10(50),11,13,15,17,19,21,23,25(49),26(42),27(39),28(48),29,31,33,35,37,40,43(47),44-pentacosaene;3-[19-(2-methylphenyl)-30-pyridin-3-yl-37-tetradecacyclo[22.21.2.225,28.13,10.02,20.04,9.011,16.021,46.026,42.027,39.029,38.031,36.043,47.018,50]pentaconta-1(46),2,4,6,8,10(50),11,13,15,17,19,21,23,25(49),26(42),27(39),28(48),29,31,33,35,37,40,43(47),44-pentacosaenyl]pyridine has a molecular weight of 6463.69 g/mol, XLogP of 142.88, 22 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 30,37-bis(2-fluorophenyl)-19-(2-methylphenyl)tetradecacyclo[22.21.2.225,28.13,10.02,20.04,9.011,16.021,46.026,42.027,39.029,38.031,36.043,47.018,50]pentaconta-1(46),2,4,6,8,10(50),11,13,15,17,19,21,23,25(49),26(42),27(39),28(48),29,31,33,35,37,40,43(47),44-pentacosaene;30,37-bis[4-fluoro-2-(trifluoromethyl)phenyl]-19-phenyltetradecacyclo[22.21.2.225,28.13,10.02,20.04,9.011,16.021,46.026,42.027,39.029,38.031,36.043,47.018,50]pentaconta-1(46),2,4,6,8,10(50),11,13,15,17,19,21,23,25(49),26(42),27(39),28(48),29,31,33,35,37,40,43(47),44-pentacosaene;7-tert-butyl-30,37-bis(2-methylphenyl)-17-phenyltetradecacyclo[22.21.2.225,28.13,10.02,20.04,9.011,16.021,46.026,42.027,39.029,38.031,36.043,47.018,50]pentaconta-1(45),2,4(9),5,7,10(50),11,13,15,17,19,21(46),22,24(47),25,27,29,31,33,35,37,39,41,43,48-pentacosaene;13-(2,6-dimethylphenyl)-30,37-bis(2-methylphenyl)-19-phenyltetradecacyclo[22.21.2.225,28.13,10.02,20.04,9.011,16.021,46.026,42.027,39.029,38.031,36.043,47.018,50]pentaconta-1(46),2,4,6,8,10,12,14,16,18(50),19,21,23,25(49),26(42),27(39),28(48),29,31,33,35,37,40,43(47),44-pentacosaene;13,14-dimethyl-17,30,37-tris(2-methylphenyl)tetradecacyclo[22.21.2.225,28.13,10.02,20.04,9.011,16.021,46.026,42.027,39.029,38.031,36.043,47.018,50]pentaconta-1(45),2,4,6,8,10(50),11(16),12,14,17,19,21(46),22,24(47),25,27,29,31,33,35,37,39,41,43,48-pentacosaene;7-fluoro-19-(2-fluorophenyl)-30,37-di(propan-2-yl)tetradecacyclo[22.21.2.225,28.13,10.02,20.04,9.011,16.021,46.026,42.027,39.029,38.031,36.043,47.018,50]pentaconta-1(46),2,4(9),5,7,10(50),11,13,15,17,19,21,23,25(49),26(42),27(39),28(48),29,31,33,35,37,40,43(47),44-pentacosaene;3-[19-(2-methylphenyl)-30-pyridin-3-yl-37-tetradecacyclo[22.21.2.225,28.13,10.02,20.04,9.011,16.021,46.026,42.027,39.029,38.031,36.043,47.018,50]pentaconta-1(46),2,4,6,8,10(50),11,13,15,17,19,21,23,25(49),26(42),27(39),28(48),29,31,33,35,37,40,43(47),44-pentacosaenyl]pyridine is sourced from PubChem (CID 157356034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).