7-(2,6-dimethylphenyl)-23-oxa-8-aza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,8.09,18.011,16.028,35.029,34]pentatriaconta-2(22),3(19),4,6,9,11,13,15,17,20,24,26,28(35),29,31,33-hexadecaene;7-(2,6-dimethylphenyl)-19-oxa-8-aza-5,30-diazonianonacyclo[18.10.1.01,5.02,18.03,15.04,8.09,14.024,31.025,30]hentriaconta-2(18),3(15),4,6,9,11,13,16,20,22,24(31),25,27,29-tetradecaene;7-(2,6-dimethylphenyl)-27-oxa-8-aza-5,38-diazoniaundecacyclo[26.10.1.01,5.02,26.03,23.04,8.09,22.010,15.016,21.032,39.033,38]nonatriaconta-2(26),3(23),4,6,9(22),10,12,14,16,18,20,24,28,30,32(39),33,35,37-octadecaene;28,28-diphenyl-9,47-diaza-6,50-diazonia-28-silapentadecacyclo[27.23.0.02,6.02,50.03,27.04,24.05,9.010,23.011,16.017,22.032,52.033,46.034,39.040,45.047,51]dopentaconta-1(29),3(27),4(24),5,7,10(23),11,13,15,17,19,21,25,30,32(52),33(46),34,36,38,40,42,44,48,50-tetracosaene;27,27-diphenyl-13,41-dithia-9,45-diaza-6,48-diazonia-27-silapentadecacyclo[26.22.0.02,6.02,48.03,26.04,23.05,9.010,22.012,20.014,19.031,50.032,44.034,42.035,40.045,49]pentaconta-1(28),3(26),4(23),5,7,10(22),11,14,16,18,20,24,29,31(50),32(44),33,35,37,39,42,46,48-docosaene;13,27,27,41-tetraphenyl-9,13,41,45-tetraza-6,48-diazonia-27-silapentadecacyclo[26.22.0.02,6.02,48.03,26.04,23.05,9.010,22.012,20.014,19.031,50.032,44.034,42.035,40.045,49]pentaconta-1(28),3(26),4(23),5,7,10(22),11,14,16,18,20,24,29,31(50),32(44),33,35,37,39,42,46,48-docosaene

C298H179N23O3S2Si3+12 — CID 158604294

IUPAC7-(2,6-dimethylphenyl)-23-oxa-8-aza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,8.09,18.011,16.028,35.029,34]pentatriaconta-2(22),3(19),4,6,9,11,13,15,17,20,24,26,28(35),29,31,33-hexadecaene;7-(2,6-dimethylphenyl)-19-oxa-8-aza-5,30-diazonianonacyclo[18.10.1.01,5.02,18.03,15.04,8.09,14.024,31.025,30]hentriaconta-2(18),3(15),4,6,9,11,13,16,20,22,24(31),25,27,29-tetradecaene;7-(2,6-dimethylphenyl)-27-oxa-8-aza-5,38-diazoniaundecacyclo[26.10.1.01,5.02,26.03,23.04,8.09,22.010,15.016,21.032,39.033,38]nonatriaconta-2(26),3(23),4,6,9(22),10,12,14,16,18,20,24,28,30,32(39),33,35,37-octadecaene;28,28-diphenyl-9,47-diaza-6,50-diazonia-28-silapentadecacyclo[27.23.0.02,6.02,50.03,27.04,24.05,9.010,23.011,16.017,22.032,52.033,46.034,39.040,45.047,51]dopentaconta-1(29),3(27),4(24),5,7,10(23),11,13,15,17,19,21,25,30,32(52),33(46),34,36,38,40,42,44,48,50-tetracosaene;27,27-diphenyl-13,41-dithia-9,45-diaza-6,48-diazonia-27-silapentadecacyclo[26.22.0.02,6.02,48.03,26.04,23.05,9.010,22.012,20.014,19.031,50.032,44.034,42.035,40.045,49]pentaconta-1(28),3(26),4(23),5,7,10(22),11,14,16,18,20,24,29,31(50),32(44),33,35,37,39,42,46,48-docosaene;13,27,27,41-tetraphenyl-9,13,41,45-tetraza-6,48-diazonia-27-silapentadecacyclo[26.22.0.02,6.02,48.03,26.04,23.05,9.010,22.012,20.014,19.031,50.032,44.034,42.035,40.045,49]pentaconta-1(28),3(26),4(23),5,7,10(22),11,14,16,18,20,24,29,31(50),32(44),33,35,37,39,42,46,48-docosaene
SMILESCc1cccc(C)c1-c1c[n+]2c3c4c5c(ccc4c4c6ccccc6c6ccccc6c4n13)Oc1cccc3c1C52[n+]1ccccc1-3.Cc1cccc(C)c1-c1c[n+]2c3c4c5c(ccc4c4cc6ccccc6cc4n13)Oc1cccc3c1C52[n+]1ccccc1-3.Cc1cccc(C)c1-c1c[n+]2c3c4c5c(ccc4c4ccccc4n13)Oc1cccc3c1C52[n+]1ccccc1-3.c1ccc(-n2c3ccccc3c3cc4c5ccc6c7c5c5n(cc[n+]5C75c7c(ccc8c9cc%10c%11ccccc%11n(-c%11ccccc%11)c%10cc9n9cc[n+]5c9c78)[Si]6(c5ccccc5)c5ccccc5)c4cc32)cc1.c1ccc([Si]2(c3ccccc3)c3ccc4c5c3C3(c6c2ccc2c6c6n(cc[n+]63)c3c6ccccc6c6ccccc6c23)[n+]2ccn(c3c6ccccc6c6ccccc6c43)c52)cc1.c1ccc([Si]2(c3ccccc3)c3ccc4c5cc6c(cc5n5cc[n+]7c5c4c3C73c4c2ccc2c5cc7c(cc5n5cc[n+]3c5c42)sc2ccccc27)sc2ccccc26)cc1
InChIInChI=1S/C67H40N6Si.C59H34N4Si.C55H30N4S2Si.C43H27N3O.C39H25N3O.C35H23N3O/c1-5-17-41(18-6-1)72-53-27-15-13-25-45(53)49-37-51-47-29-31-59-63-61(47)65-68(55(51)39-57(49)72)33-35-70(65)67(63)64-60(74(59,43-21-9-3-10-22-43)44-23-11-4-12-24-44)32-30-48-52-38-50-46-26-14-16-28-54(46)73(42-19-7-2-8-20-42)58(50)40-56(52)69-34-36-71(67)66(69)62(48)64;1-3-15-35(16-4-1)64(36-17-5-2-6-18-36)47-29-27-45-49-41-23-11-7-19-37(41)39-21-9-13-25-43(39)55(49)60-31-33-62-57(60)51(45)53(47)59(62)54-48(64)30-28-46-50-42-24-12-8-20-38(42)40-22-10-14-26-44(40)56(50)61-32-34-63(59)58(61)52(46)54;1-3-11-31(12-4-1)62(32-13-5-2-6-14-32)47-21-19-35-37-27-39-33-15-7-9-17-43(33)60-45(39)29-41(37)56-23-25-58-53(56)49(35)51(47)55(58)52-48(62)22-20-36-38-28-40-34-16-8-10-18-44(34)61-46(40)30-42(38)57-24-26-59(55)54(57)50(36)52;1-24-11-9-12-25(2)36(24)33-23-45-42-38-31(37-28-15-5-3-13-26(28)27-14-4-6-16-29(27)41(37)46(33)42)20-21-35-40(38)43(45)39-30(17-10-19-34(39)47-35)32-18-7-8-22-44(32)43;1-22-9-7-10-23(2)34(22)31-21-41-38-35-26(28-19-24-11-3-4-12-25(24)20-30(28)42(31)38)16-17-33-37(35)39(41)36-27(13-8-15-32(36)43-33)29-14-5-6-18-40(29)39;1-20-9-7-10-21(2)30(20)27-19-37-34-31-23(22-11-3-4-14-26(22)38(27)34)16-17-29-33(31)35(37)32-24(12-8-15-28(32)39-29)25-13-5-6-18-36(25)35/h1-40H;1-34H;1-30H;3-23H,1-2H3;3-21H,1-2H3;3-19H,1-2H3/q6*+2
InChIKeyPEVQARXETOSFFI-UHFFFAOYSA-N
MW4278.26 g/mol
LogP54.39
Rot. Bonds11

About 7-(2,6-dimethylphenyl)-23-oxa-8-aza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,8.09,18.011,16.028,35.029,34]pentatriaconta-2(22),3(19),4,6,9,11,13,15,17,20,24,26,28(35),29,31,33-hexadecaene;7-(2,6-dimethylphenyl)-19-oxa-8-aza-5,30-diazonianonacyclo[18.10.1.01,5.02,18.03,15.04,8.09,14.024,31.025,30]hentriaconta-2(18),3(15),4,6,9,11,13,16,20,22,24(31),25,27,29-tetradecaene;7-(2,6-dimethylphenyl)-27-oxa-8-aza-5,38-diazoniaundecacyclo[26.10.1.01,5.02,26.03,23.04,8.09,22.010,15.016,21.032,39.033,38]nonatriaconta-2(26),3(23),4,6,9(22),10,12,14,16,18,20,24,28,30,32(39),33,35,37-octadecaene;28,28-diphenyl-9,47-diaza-6,50-diazonia-28-silapentadecacyclo[27.23.0.02,6.02,50.03,27.04,24.05,9.010,23.011,16.017,22.032,52.033,46.034,39.040,45.047,51]dopentaconta-1(29),3(27),4(24),5,7,10(23),11,13,15,17,19,21,25,30,32(52),33(46),34,36,38,40,42,44,48,50-tetracosaene;27,27-diphenyl-13,41-dithia-9,45-diaza-6,48-diazonia-27-silapentadecacyclo[26.22.0.02,6.02,48.03,26.04,23.05,9.010,22.012,20.014,19.031,50.032,44.034,42.035,40.045,49]pentaconta-1(28),3(26),4(23),5,7,10(22),11,14,16,18,20,24,29,31(50),32(44),33,35,37,39,42,46,48-docosaene;13,27,27,41-tetraphenyl-9,13,41,45-tetraza-6,48-diazonia-27-silapentadecacyclo[26.22.0.02,6.02,48.03,26.04,23.05,9.010,22.012,20.014,19.031,50.032,44.034,42.035,40.045,49]pentaconta-1(28),3(26),4(23),5,7,10(22),11,14,16,18,20,24,29,31(50),32(44),33,35,37,39,42,46,48-docosaene

7-(2,6-dimethylphenyl)-23-oxa-8-aza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,8.09,18.011,16.028,35.029,34]pentatriaconta-2(22),3(19),4,6,9,11,13,15,17,20,24,26,28(35),29,31,33-hexadecaene;7-(2,6-dimethylphenyl)-19-oxa-8-aza-5,30-diazonianonacyclo[18.10.1.01,5.02,18.03,15.04,8.09,14.024,31.025,30]hentriaconta-2(18),3(15),4,6,9,11,13,16,20,22,24(31),25,27,29-tetradecaene;7-(2,6-dimethylphenyl)-27-oxa-8-aza-5,38-diazoniaundecacyclo[26.10.1.01,5.02,26.03,23.04,8.09,22.010,15.016,21.032,39.033,38]nonatriaconta-2(26),3(23),4,6,9(22),10,12,14,16,18,20,24,28,30,32(39),33,35,37-octadecaene;28,28-diphenyl-9,47-diaza-6,50-diazonia-28-silapentadecacyclo[27.23.0.02,6.02,50.03,27.04,24.05,9.010,23.011,16.017,22.032,52.033,46.034,39.040,45.047,51]dopentaconta-1(29),3(27),4(24),5,7,10(23),11,13,15,17,19,21,25,30,32(52),33(46),34,36,38,40,42,44,48,50-tetracosaene;27,27-diphenyl-13,41-dithia-9,45-diaza-6,48-diazonia-27-silapentadecacyclo[26.22.0.02,6.02,48.03,26.04,23.05,9.010,22.012,20.014,19.031,50.032,44.034,42.035,40.045,49]pentaconta-1(28),3(26),4(23),5,7,10(22),11,14,16,18,20,24,29,31(50),32(44),33,35,37,39,42,46,48-docosaene;13,27,27,41-tetraphenyl-9,13,41,45-tetraza-6,48-diazonia-27-silapentadecacyclo[26.22.0.02,6.02,48.03,26.04,23.05,9.010,22.012,20.014,19.031,50.032,44.034,42.035,40.045,49]pentaconta-1(28),3(26),4(23),5,7,10(22),11,14,16,18,20,24,29,31(50),32(44),33,35,37,39,42,46,48-docosaene (PubChem CID 158604294) has the molecular formula C298H179N23O3S2Si3+12 and a molecular weight of 4278.26 g/mol. Its IUPAC name is 7-(2,6-dimethylphenyl)-23-oxa-8-aza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,8.09,18.011,16.028,35.029,34]pentatriaconta-2(22),3(19),4,6,9,11,13,15,17,20,24,26,28(35),29,31,33-hexadecaene;7-(2,6-dimethylphenyl)-19-oxa-8-aza-5,30-diazonianonacyclo[18.10.1.01,5.02,18.03,15.04,8.09,14.024,31.025,30]hentriaconta-2(18),3(15),4,6,9,11,13,16,20,22,24(31),25,27,29-tetradecaene;7-(2,6-dimethylphenyl)-27-oxa-8-aza-5,38-diazoniaundecacyclo[26.10.1.01,5.02,26.03,23.04,8.09,22.010,15.016,21.032,39.033,38]nonatriaconta-2(26),3(23),4,6,9(22),10,12,14,16,18,20,24,28,30,32(39),33,35,37-octadecaene;28,28-diphenyl-9,47-diaza-6,50-diazonia-28-silapentadecacyclo[27.23.0.02,6.02,50.03,27.04,24.05,9.010,23.011,16.017,22.032,52.033,46.034,39.040,45.047,51]dopentaconta-1(29),3(27),4(24),5,7,10(23),11,13,15,17,19,21,25,30,32(52),33(46),34,36,38,40,42,44,48,50-tetracosaene;27,27-diphenyl-13,41-dithia-9,45-diaza-6,48-diazonia-27-silapentadecacyclo[26.22.0.02,6.02,48.03,26.04,23.05,9.010,22.012,20.014,19.031,50.032,44.034,42.035,40.045,49]pentaconta-1(28),3(26),4(23),5,7,10(22),11,14,16,18,20,24,29,31(50),32(44),33,35,37,39,42,46,48-docosaene;13,27,27,41-tetraphenyl-9,13,41,45-tetraza-6,48-diazonia-27-silapentadecacyclo[26.22.0.02,6.02,48.03,26.04,23.05,9.010,22.012,20.014,19.031,50.032,44.034,42.035,40.045,49]pentaconta-1(28),3(26),4(23),5,7,10(22),11,14,16,18,20,24,29,31(50),32(44),33,35,37,39,42,46,48-docosaene.

Molecular Properties

Compound Name7-(2,6-dimethylphenyl)-23-oxa-8-aza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,8.09,18.011,16.028,35.029,34]pentatriaconta-2(22),3(19),4,6,9,11,13,15,17,20,24,26,28(35),29,31,33-hexadecaene;7-(2,6-dimethylphenyl)-19-oxa-8-aza-5,30-diazonianonacyclo[18.10.1.01,5.02,18.03,15.04,8.09,14.024,31.025,30]hentriaconta-2(18),3(15),4,6,9,11,13,16,20,22,24(31),25,27,29-tetradecaene;7-(2,6-dimethylphenyl)-27-oxa-8-aza-5,38-diazoniaundecacyclo[26.10.1.01,5.02,26.03,23.04,8.09,22.010,15.016,21.032,39.033,38]nonatriaconta-2(26),3(23),4,6,9(22),10,12,14,16,18,20,24,28,30,32(39),33,35,37-octadecaene;28,28-diphenyl-9,47-diaza-6,50-diazonia-28-silapentadecacyclo[27.23.0.02,6.02,50.03,27.04,24.05,9.010,23.011,16.017,22.032,52.033,46.034,39.040,45.047,51]dopentaconta-1(29),3(27),4(24),5,7,10(23),11,13,15,17,19,21,25,30,32(52),33(46),34,36,38,40,42,44,48,50-tetracosaene;27,27-diphenyl-13,41-dithia-9,45-diaza-6,48-diazonia-27-silapentadecacyclo[26.22.0.02,6.02,48.03,26.04,23.05,9.010,22.012,20.014,19.031,50.032,44.034,42.035,40.045,49]pentaconta-1(28),3(26),4(23),5,7,10(22),11,14,16,18,20,24,29,31(50),32(44),33,35,37,39,42,46,48-docosaene;13,27,27,41-tetraphenyl-9,13,41,45-tetraza-6,48-diazonia-27-silapentadecacyclo[26.22.0.02,6.02,48.03,26.04,23.05,9.010,22.012,20.014,19.031,50.032,44.034,42.035,40.045,49]pentaconta-1(28),3(26),4(23),5,7,10(22),11,14,16,18,20,24,29,31(50),32(44),33,35,37,39,42,46,48-docosaene
PubChem CID158604294
Molecular FormulaC298H179N23O3S2Si3+12
Molecular Weight4278.26 g/mol
Exact Mass4274.32
IUPAC Name7-(2,6-dimethylphenyl)-23-oxa-8-aza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,8.09,18.011,16.028,35.029,34]pentatriaconta-2(22),3(19),4,6,9,11,13,15,17,20,24,26,28(35),29,31,33-hexadecaene;7-(2,6-dimethylphenyl)-19-oxa-8-aza-5,30-diazonianonacyclo[18.10.1.01,5.02,18.03,15.04,8.09,14.024,31.025,30]hentriaconta-2(18),3(15),4,6,9,11,13,16,20,22,24(31),25,27,29-tetradecaene;7-(2,6-dimethylphenyl)-27-oxa-8-aza-5,38-diazoniaundecacyclo[26.10.1.01,5.02,26.03,23.04,8.09,22.010,15.016,21.032,39.033,38]nonatriaconta-2(26),3(23),4,6,9(22),10,12,14,16,18,20,24,28,30,32(39),33,35,37-octadecaene;28,28-diphenyl-9,47-diaza-6,50-diazonia-28-silapentadecacyclo[27.23.0.02,6.02,50.03,27.04,24.05,9.010,23.011,16.017,22.032,52.033,46.034,39.040,45.047,51]dopentaconta-1(29),3(27),4(24),5,7,10(23),11,13,15,17,19,21,25,30,32(52),33(46),34,36,38,40,42,44,48,50-tetracosaene;27,27-diphenyl-13,41-dithia-9,45-diaza-6,48-diazonia-27-silapentadecacyclo[26.22.0.02,6.02,48.03,26.04,23.05,9.010,22.012,20.014,19.031,50.032,44.034,42.035,40.045,49]pentaconta-1(28),3(26),4(23),5,7,10(22),11,14,16,18,20,24,29,31(50),32(44),33,35,37,39,42,46,48-docosaene;13,27,27,41-tetraphenyl-9,13,41,45-tetraza-6,48-diazonia-27-silapentadecacyclo[26.22.0.02,6.02,48.03,26.04,23.05,9.010,22.012,20.014,19.031,50.032,44.034,42.035,40.045,49]pentaconta-1(28),3(26),4(23),5,7,10(22),11,14,16,18,20,24,29,31(50),32(44),33,35,37,39,42,46,48-docosaene
SMILESCc1cccc(C)c1-c1c[n+]2c3c4c5c(ccc4c4c6ccccc6c6ccccc6c4n13)Oc1cccc3c1C52[n+]1ccccc1-3.Cc1cccc(C)c1-c1c[n+]2c3c4c5c(ccc4c4cc6ccccc6cc4n13)Oc1cccc3c1C52[n+]1ccccc1-3.Cc1cccc(C)c1-c1c[n+]2c3c4c5c(ccc4c4ccccc4n13)Oc1cccc3c1C52[n+]1ccccc1-3.c1ccc(-n2c3ccccc3c3cc4c5ccc6c7c5c5n(cc[n+]5C75c7c(ccc8c9cc%10c%11ccccc%11n(-c%11ccccc%11)c%10cc9n9cc[n+]5c9c78)[Si]6(c5ccccc5)c5ccccc5)c4cc32)cc1.c1ccc([Si]2(c3ccccc3)c3ccc4c5c3C3(c6c2ccc2c6c6n(cc[n+]63)c3c6ccccc6c6ccccc6c23)[n+]2ccn(c3c6ccccc6c6ccccc6c43)c52)cc1.c1ccc([Si]2(c3ccccc3)c3ccc4c5cc6c(cc5n5cc[n+]7c5c4c3C73c4c2ccc2c5cc7c(cc5n5cc[n+]3c5c42)sc2ccccc27)sc2ccccc26)cc1
InChIInChI=1S/C67H40N6Si.C59H34N4Si.C55H30N4S2Si.C43H27N3O.C39H25N3O.C35H23N3O/c1-5-17-41(18-6-1)72-53-27-15-13-25-45(53)49-37-51-47-29-31-59-63-61(47)65-68(55(51)39-57(49)72)33-35-70(65)67(63)64-60(74(59,43-21-9-3-10-22-43)44-23-11-4-12-24-44)32-30-48-52-38-50-46-26-14-16-28-54(46)73(42-19-7-2-8-20-42)58(50)40-56(52)69-34-36-71(67)66(69)62(48)64;1-3-15-35(16-4-1)64(36-17-5-2-6-18-36)47-29-27-45-49-41-23-11-7-19-37(41)39-21-9-13-25-43(39)55(49)60-31-33-62-57(60)51(45)53(47)59(62)54-48(64)30-28-46-50-42-24-12-8-20-38(42)40-22-10-14-26-44(40)56(50)61-32-34-63(59)58(61)52(46)54;1-3-11-31(12-4-1)62(32-13-5-2-6-14-32)47-21-19-35-37-27-39-33-15-7-9-17-43(33)60-45(39)29-41(37)56-23-25-58-53(56)49(35)51(47)55(58)52-48(62)22-20-36-38-28-40-34-16-8-10-18-44(34)61-46(40)30-42(38)57-24-26-59(55)54(57)50(36)52;1-24-11-9-12-25(2)36(24)33-23-45-42-38-31(37-28-15-5-3-13-26(28)27-14-4-6-16-29(27)41(37)46(33)42)20-21-35-40(38)43(45)39-30(17-10-19-34(39)47-35)32-18-7-8-22-44(32)43;1-22-9-7-10-23(2)34(22)31-21-41-38-35-26(28-19-24-11-3-4-12-25(24)20-30(28)42(31)38)16-17-33-37(35)39(41)36-27(13-8-15-32(36)43-33)29-14-5-6-18-40(29)39;1-20-9-7-10-21(2)30(20)27-19-37-34-31-23(22-11-3-4-14-26(22)38(27)34)16-17-29-33(31)35(37)32-24(12-8-15-28(32)39-29)25-13-5-6-18-36(25)35/h1-40H;1-34H;1-30H;3-23H,1-2H3;3-21H,1-2H3;3-19H,1-2H3/q6*+2
InChIKeyPEVQARXETOSFFI-UHFFFAOYSA-N
XLogP54.39
TPSA123.80 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds11
Heavy Atoms329
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004278.26
LogP ≤ 554.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 7-(2,6-dimethylphenyl)-23-oxa-8-aza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,8.09,18.011,16.028,35.029,34]pentatriaconta-2(22),3(19),4,6,9,11,13,15,17,20,24,26,28(35),29,31,33-hexadecaene;7-(2,6-dimethylphenyl)-19-oxa-8-aza-5,30-diazonianonacyclo[18.10.1.01,5.02,18.03,15.04,8.09,14.024,31.025,30]hentriaconta-2(18),3(15),4,6,9,11,13,16,20,22,24(31),25,27,29-tetradecaene;7-(2,6-dimethylphenyl)-27-oxa-8-aza-5,38-diazoniaundecacyclo[26.10.1.01,5.02,26.03,23.04,8.09,22.010,15.016,21.032,39.033,38]nonatriaconta-2(26),3(23),4,6,9(22),10,12,14,16,18,20,24,28,30,32(39),33,35,37-octadecaene;28,28-diphenyl-9,47-diaza-6,50-diazonia-28-silapentadecacyclo[27.23.0.02,6.02,50.03,27.04,24.05,9.010,23.011,16.017,22.032,52.033,46.034,39.040,45.047,51]dopentaconta-1(29),3(27),4(24),5,7,10(23),11,13,15,17,19,21,25,30,32(52),33(46),34,36,38,40,42,44,48,50-tetracosaene;27,27-diphenyl-13,41-dithia-9,45-diaza-6,48-diazonia-27-silapentadecacyclo[26.22.0.02,6.02,48.03,26.04,23.05,9.010,22.012,20.014,19.031,50.032,44.034,42.035,40.045,49]pentaconta-1(28),3(26),4(23),5,7,10(22),11,14,16,18,20,24,29,31(50),32(44),33,35,37,39,42,46,48-docosaene;13,27,27,41-tetraphenyl-9,13,41,45-tetraza-6,48-diazonia-27-silapentadecacyclo[26.22.0.02,6.02,48.03,26.04,23.05,9.010,22.012,20.014,19.031,50.032,44.034,42.035,40.045,49]pentaconta-1(28),3(26),4(23),5,7,10(22),11,14,16,18,20,24,29,31(50),32(44),33,35,37,39,42,46,48-docosaene with MolForge

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Related Compounds

7-(2,6-dimethylphenyl)-19-oxa-8-aza-5,30-diazonianonacyclo[18.10.1.01,5.02,18.03,15.04,8.09,14.024,31.025,30]hentriaconta-2(18),3(15),4,6,9,11,13,16,20,22,24(31),25,27,29-tetradecaene
CID 158604295
8,32-bis(2,6-dimethylphenyl)-20-oxa-9,31-diaza-6,34-diazoniaundecacyclo[19.15.0.02,6.02,34.03,19.04,16.05,9.010,15.024,36.025,30.031,35]hexatriaconta-1(21),3(19),4(16),5,7,10,12,14,17,22,24(36),25,27,29,32,34-hexadecaene;41-(2,6-dimethylphenyl)-21-oxa-10,40-diaza-7,43-diazoniatridecacyclo[23.19.0.02,22.03,7.03,43.04,20.05,17.06,10.011,16.026,39.027,32.033,38.040,44]tetratetraconta-1(25),2(22),4(20),5(17),6,8,11,13,15,18,23,26(39),27,29,31,33,35,37,41,43-icosaene;7-(2,6-dimethylphenyl)-23-oxa-8,10,17,34-tetraza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,8.09,18.011,16.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,9,11,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;7-(2,6-dimethylphenyl)-23-oxa-8,15,17,34-tetraza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,8.09,18.011,16.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,9(18),10,12,14,16,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene;7-(2,6-dimethylphenyl)-23-oxa-8,17,34-triaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,8.09,18.011,16.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4,6,9,11,13,15,17,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene
CID 161160652
29,29-diphenyl-15-oxa-11,40-diaza-4,47-diazonia-29-silapentadecacyclo[26.23.0.02,25.03,11.04,51.05,10.012,24.014,22.016,21.030,50.033,49.034,39.040,48.041,46.047,51]henpentaconta-1(28),2(25),3,5,7,9,12(24),13,16,18,20,22,26,30(50),31,33(49),34,36,38,41,43,45,47-tricosaene;29,29-diphenyl-15-thia-11,40-diaza-4,47-diazonia-29-silapentadecacyclo[26.23.0.02,25.03,11.04,51.05,10.012,24.014,22.016,21.030,50.033,49.034,39.040,48.041,46.047,51]henpentaconta-1(28),2(25),3,5,7,9,12(24),13,16,18,20,22,26,30(50),31,33(49),34,36,38,41,43,45,47-tricosaene;spiro[15-thia-11,40-diaza-4,47-diazoniapentadecacyclo[26.23.0.02,25.03,11.04,51.05,10.012,24.014,22.016,21.030,50.033,49.034,39.040,48.041,46.047,51]henpentaconta-1(28),2(25),3,5,7,9,12(24),13,16,18,20,22,26,30(50),31,33(49),34,36,38,41,43,45,47-tricosaene-29,9'-fluorene];15,29,29-triphenyl-11,15,40-triaza-4,47-diazonia-29-silapentadecacyclo[26.23.0.02,25.03,11.04,51.05,10.012,24.014,22.016,21.030,50.033,49.034,39.040,48.041,46.047,51]henpentaconta-1(28),2(25),3,5,7,9,12(24),13,16,18,20,22,26,30(50),31,33(49),34,36,38,41,43,45,47-tricosaene
CID 158914063
26-oxa-3-aza-10,15-diazoniatetradecacyclo[31.13.1.114,21.138,42.02,31.03,11.04,9.010,14.012,30.013,27.015,20.037,47.025,49.046,48]nonatetraconta-1(47),2(31),4,6,8,10,12(30),13(27),15,17,19,21(49),22,24,28,32,34,36,38,40,42(48),43,45-tricosaene
CID 160534384
25-oxa-14,44-diaza-7,51-diazoniapentadecacyclo[27.23.0.02,26.03,7.03,51.04,24.05,21.06,14.08,13.015,20.030,43.031,36.037,42.044,52.045,50]dopentaconta-1(29),2(26),4(24),5(21),6,8,10,12,15,17,19,22,27,30(43),31,33,35,37,39,41,45,47,49,51-tetracosaene
CID 161174731
12,14-diphenyl-20,26-dioxa-13-thia-6,38-diazoniadodecacyclo[19.19.0.02,6.02,38.03,19.04,16.05,10.011,15.024,40.025,33.027,32.034,39]tetraconta-1(21),3(19),4(16),5(10),6,8,11,14,17,22,24,27,29,31,33,35,37,39-octadecaene;11,13-diphenyl-19-oxa-12-thia-30-aza-5,36-diazoniaundecacyclo[21.13.2.01,5.02,18.03,15.04,9.010,14.020,37.024,29.030,38.031,36]octatriaconta-2(18),3(15),4(9),5,7,10,13,16,20(37),21,23(38),24,26,28,31,33,35-heptadecaene;11,13-diphenyl-19-oxa-12-thia-5,30-diazonianonacyclo[18.10.1.01,5.02,18.03,15.04,9.010,14.024,31.025,30]hentriaconta-2(18),3(15),4(9),5,7,10,13,16,20,22,24(31),25,27,29-tetradecaene;31-oxa-11,25-diaza-5,42-diazoniadodecacyclo[30.10.1.01,5.02,30.03,27.04,9.010,26.012,25.013,18.019,24.036,43.037,42]tritetraconta-2(30),3,5,7,9,11,13,15,17,19,21,23,26,28,32,34,36(43),37,39,41-icosaene;32-oxa-12,26,38,52-tetraza-6,58-diazoniaheptadecacyclo[31.27.0.02,6.02,58.03,31.04,28.05,10.011,27.013,26.014,19.020,25.036,60.037,53.038,51.039,44.045,50.054,59]hexaconta-1(33),3(31),4,6,8,10,12,14,16,18,20,22,24,27,29,34,36,39,41,43,45,47,49,51,53,55,57,59-octacosaene;31-oxa-11,25,42-triaza-5,48-diazoniatetradecacyclo[33.13.2.01,5.02,30.03,27.04,9.010,26.012,25.013,18.019,24.032,49.036,41.042,50.043,48]pentaconta-2(30),3,5,7,9,11,13,15,17,19,21,23,26,28,32(49),33,35(50),36,38,40,43,45,47-tricosaene
CID 157439393
12-phenyl-16-thia-12-azanonacyclo[18.16.0.02,17.03,15.05,13.06,11.021,30.023,28.031,36]hexatriaconta-1(20),2(17),3(15),4,6,8,10,13,18,21,23,25,27,29,31,33,35-heptadecaene
CID 148604778
16-oxa-1-aza-5,36-diazoniaundecacyclo[19.16.1.14,11.02,20.03,17.04,36.05,10.025,38.026,31.032,37.015,39]nonatriaconta-2(20),3(17),5,7,9,11(39),12,14,18,21(38),22,24,26,28,30,32(37),33,35-octadecaene
CID 159970919
N-dibenzothiophen-3-yl-N-(3-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaenyl)-9-phenylcarbazol-2-amine
CID 167357245
spiro[15-thia-11,40-diaza-4,47-diazoniapentadecacyclo[26.23.0.02,25.03,11.04,51.05,10.012,24.014,22.016,21.030,50.033,49.034,39.040,48.041,46.047,51]henpentaconta-1(28),2(25),3,5,7,9,12(24),13,16,18,20,22,26,30(50),31,33(49),34,36,38,41,43,45,47-tricosaene-29,9'-fluorene]
CID 158914064
7,22-dioxa-11-aza-5,33-diazoniadecacyclo[21.10.1.01,5.02,21.03,18.04,11.06,10.012,17.027,34.028,33]tetratriaconta-2(21),3(18),4,6(10),8,12,14,16,19,23,25,27(34),28,30,32-pentadecaene;7-methyl-22-oxa-7,11-diaza-5,33-diazoniadecacyclo[21.10.1.01,5.02,21.03,18.04,11.06,10.012,17.027,34.028,33]tetratriaconta-2(21),3(18),4,6(10),8,12,14,16,19,23,25,27(34),28,30,32-pentadecaene;19-oxa-8-aza-5,30-diazonianonacyclo[18.10.1.01,5.02,18.03,15.04,8.09,14.024,31.025,30]hentriaconta-2(18),3(15),4,6,9,11,13,16,20,22,24(31),25,27,29-tetradecaene;23-oxa-12,16-diaza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,12.06,11.013,18.028,35.029,34]pentatriaconta-2(22),3(19),4,6,8,10,13(18),14,16,20,24,26,28(35),29,31,33-hexadecaene;22-oxa-7-thia-11-aza-5,33-diazoniadecacyclo[21.10.1.01,5.02,21.03,18.04,11.06,10.012,17.027,34.028,33]tetratriaconta-2(21),3(18),4,6(10),8,12,14,16,19,23,25,27(34),28,30,32-pentadecaene;23-oxa-12,14,17-triaza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,12.06,11.013,18.028,35.029,34]pentatriaconta-2(22),3(19),4,6,8,10,13,15,17,20,24,26,28(35),29,31,33-hexadecaene
CID 159149565
9-[4-(3-dibenzothiophen-2-yl-10-phenylbenzo[b][1,4]benzoxasilin-10-yl)phenyl]carbazole
CID 177291198

Frequently Asked Questions

What is the IUPAC name of 7-(2,6-dimethylphenyl)-23-oxa-8-aza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,8.09,18.011,16.028,35.029,34]pentatriaconta-2(22),3(19),4,6,9,11,13,15,17,20,24,26,28(35),29,31,33-hexadecaene;7-(2,6-dimethylphenyl)-19-oxa-8-aza-5,30-diazonianonacyclo[18.10.1.01,5.02,18.03,15.04,8.09,14.024,31.025,30]hentriaconta-2(18),3(15),4,6,9,11,13,16,20,22,24(31),25,27,29-tetradecaene;7-(2,6-dimethylphenyl)-27-oxa-8-aza-5,38-diazoniaundecacyclo[26.10.1.01,5.02,26.03,23.04,8.09,22.010,15.016,21.032,39.033,38]nonatriaconta-2(26),3(23),4,6,9(22),10,12,14,16,18,20,24,28,30,32(39),33,35,37-octadecaene;28,28-diphenyl-9,47-diaza-6,50-diazonia-28-silapentadecacyclo[27.23.0.02,6.02,50.03,27.04,24.05,9.010,23.011,16.017,22.032,52.033,46.034,39.040,45.047,51]dopentaconta-1(29),3(27),4(24),5,7,10(23),11,13,15,17,19,21,25,30,32(52),33(46),34,36,38,40,42,44,48,50-tetracosaene;27,27-diphenyl-13,41-dithia-9,45-diaza-6,48-diazonia-27-silapentadecacyclo[26.22.0.02,6.02,48.03,26.04,23.05,9.010,22.012,20.014,19.031,50.032,44.034,42.035,40.045,49]pentaconta-1(28),3(26),4(23),5,7,10(22),11,14,16,18,20,24,29,31(50),32(44),33,35,37,39,42,46,48-docosaene;13,27,27,41-tetraphenyl-9,13,41,45-tetraza-6,48-diazonia-27-silapentadecacyclo[26.22.0.02,6.02,48.03,26.04,23.05,9.010,22.012,20.014,19.031,50.032,44.034,42.035,40.045,49]pentaconta-1(28),3(26),4(23),5,7,10(22),11,14,16,18,20,24,29,31(50),32(44),33,35,37,39,42,46,48-docosaene?
The IUPAC name of 7-(2,6-dimethylphenyl)-23-oxa-8-aza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,8.09,18.011,16.028,35.029,34]pentatriaconta-2(22),3(19),4,6,9,11,13,15,17,20,24,26,28(35),29,31,33-hexadecaene;7-(2,6-dimethylphenyl)-19-oxa-8-aza-5,30-diazonianonacyclo[18.10.1.01,5.02,18.03,15.04,8.09,14.024,31.025,30]hentriaconta-2(18),3(15),4,6,9,11,13,16,20,22,24(31),25,27,29-tetradecaene;7-(2,6-dimethylphenyl)-27-oxa-8-aza-5,38-diazoniaundecacyclo[26.10.1.01,5.02,26.03,23.04,8.09,22.010,15.016,21.032,39.033,38]nonatriaconta-2(26),3(23),4,6,9(22),10,12,14,16,18,20,24,28,30,32(39),33,35,37-octadecaene;28,28-diphenyl-9,47-diaza-6,50-diazonia-28-silapentadecacyclo[27.23.0.02,6.02,50.03,27.04,24.05,9.010,23.011,16.017,22.032,52.033,46.034,39.040,45.047,51]dopentaconta-1(29),3(27),4(24),5,7,10(23),11,13,15,17,19,21,25,30,32(52),33(46),34,36,38,40,42,44,48,50-tetracosaene;27,27-diphenyl-13,41-dithia-9,45-diaza-6,48-diazonia-27-silapentadecacyclo[26.22.0.02,6.02,48.03,26.04,23.05,9.010,22.012,20.014,19.031,50.032,44.034,42.035,40.045,49]pentaconta-1(28),3(26),4(23),5,7,10(22),11,14,16,18,20,24,29,31(50),32(44),33,35,37,39,42,46,48-docosaene;13,27,27,41-tetraphenyl-9,13,41,45-tetraza-6,48-diazonia-27-silapentadecacyclo[26.22.0.02,6.02,48.03,26.04,23.05,9.010,22.012,20.014,19.031,50.032,44.034,42.035,40.045,49]pentaconta-1(28),3(26),4(23),5,7,10(22),11,14,16,18,20,24,29,31(50),32(44),33,35,37,39,42,46,48-docosaene (CID 158604294) is 7-(2,6-dimethylphenyl)-23-oxa-8-aza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,8.09,18.011,16.028,35.029,34]pentatriaconta-2(22),3(19),4,6,9,11,13,15,17,20,24,26,28(35),29,31,33-hexadecaene;7-(2,6-dimethylphenyl)-19-oxa-8-aza-5,30-diazonianonacyclo[18.10.1.01,5.02,18.03,15.04,8.09,14.024,31.025,30]hentriaconta-2(18),3(15),4,6,9,11,13,16,20,22,24(31),25,27,29-tetradecaene;7-(2,6-dimethylphenyl)-27-oxa-8-aza-5,38-diazoniaundecacyclo[26.10.1.01,5.02,26.03,23.04,8.09,22.010,15.016,21.032,39.033,38]nonatriaconta-2(26),3(23),4,6,9(22),10,12,14,16,18,20,24,28,30,32(39),33,35,37-octadecaene;28,28-diphenyl-9,47-diaza-6,50-diazonia-28-silapentadecacyclo[27.23.0.02,6.02,50.03,27.04,24.05,9.010,23.011,16.017,22.032,52.033,46.034,39.040,45.047,51]dopentaconta-1(29),3(27),4(24),5,7,10(23),11,13,15,17,19,21,25,30,32(52),33(46),34,36,38,40,42,44,48,50-tetracosaene;27,27-diphenyl-13,41-dithia-9,45-diaza-6,48-diazonia-27-silapentadecacyclo[26.22.0.02,6.02,48.03,26.04,23.05,9.010,22.012,20.014,19.031,50.032,44.034,42.035,40.045,49]pentaconta-1(28),3(26),4(23),5,7,10(22),11,14,16,18,20,24,29,31(50),32(44),33,35,37,39,42,46,48-docosaene;13,27,27,41-tetraphenyl-9,13,41,45-tetraza-6,48-diazonia-27-silapentadecacyclo[26.22.0.02,6.02,48.03,26.04,23.05,9.010,22.012,20.014,19.031,50.032,44.034,42.035,40.045,49]pentaconta-1(28),3(26),4(23),5,7,10(22),11,14,16,18,20,24,29,31(50),32(44),33,35,37,39,42,46,48-docosaene.
What is the SMILES notation for 7-(2,6-dimethylphenyl)-23-oxa-8-aza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,8.09,18.011,16.028,35.029,34]pentatriaconta-2(22),3(19),4,6,9,11,13,15,17,20,24,26,28(35),29,31,33-hexadecaene;7-(2,6-dimethylphenyl)-19-oxa-8-aza-5,30-diazonianonacyclo[18.10.1.01,5.02,18.03,15.04,8.09,14.024,31.025,30]hentriaconta-2(18),3(15),4,6,9,11,13,16,20,22,24(31),25,27,29-tetradecaene;7-(2,6-dimethylphenyl)-27-oxa-8-aza-5,38-diazoniaundecacyclo[26.10.1.01,5.02,26.03,23.04,8.09,22.010,15.016,21.032,39.033,38]nonatriaconta-2(26),3(23),4,6,9(22),10,12,14,16,18,20,24,28,30,32(39),33,35,37-octadecaene;28,28-diphenyl-9,47-diaza-6,50-diazonia-28-silapentadecacyclo[27.23.0.02,6.02,50.03,27.04,24.05,9.010,23.011,16.017,22.032,52.033,46.034,39.040,45.047,51]dopentaconta-1(29),3(27),4(24),5,7,10(23),11,13,15,17,19,21,25,30,32(52),33(46),34,36,38,40,42,44,48,50-tetracosaene;27,27-diphenyl-13,41-dithia-9,45-diaza-6,48-diazonia-27-silapentadecacyclo[26.22.0.02,6.02,48.03,26.04,23.05,9.010,22.012,20.014,19.031,50.032,44.034,42.035,40.045,49]pentaconta-1(28),3(26),4(23),5,7,10(22),11,14,16,18,20,24,29,31(50),32(44),33,35,37,39,42,46,48-docosaene;13,27,27,41-tetraphenyl-9,13,41,45-tetraza-6,48-diazonia-27-silapentadecacyclo[26.22.0.02,6.02,48.03,26.04,23.05,9.010,22.012,20.014,19.031,50.032,44.034,42.035,40.045,49]pentaconta-1(28),3(26),4(23),5,7,10(22),11,14,16,18,20,24,29,31(50),32(44),33,35,37,39,42,46,48-docosaene?
The canonical SMILES for 7-(2,6-dimethylphenyl)-23-oxa-8-aza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,8.09,18.011,16.028,35.029,34]pentatriaconta-2(22),3(19),4,6,9,11,13,15,17,20,24,26,28(35),29,31,33-hexadecaene;7-(2,6-dimethylphenyl)-19-oxa-8-aza-5,30-diazonianonacyclo[18.10.1.01,5.02,18.03,15.04,8.09,14.024,31.025,30]hentriaconta-2(18),3(15),4,6,9,11,13,16,20,22,24(31),25,27,29-tetradecaene;7-(2,6-dimethylphenyl)-27-oxa-8-aza-5,38-diazoniaundecacyclo[26.10.1.01,5.02,26.03,23.04,8.09,22.010,15.016,21.032,39.033,38]nonatriaconta-2(26),3(23),4,6,9(22),10,12,14,16,18,20,24,28,30,32(39),33,35,37-octadecaene;28,28-diphenyl-9,47-diaza-6,50-diazonia-28-silapentadecacyclo[27.23.0.02,6.02,50.03,27.04,24.05,9.010,23.011,16.017,22.032,52.033,46.034,39.040,45.047,51]dopentaconta-1(29),3(27),4(24),5,7,10(23),11,13,15,17,19,21,25,30,32(52),33(46),34,36,38,40,42,44,48,50-tetracosaene;27,27-diphenyl-13,41-dithia-9,45-diaza-6,48-diazonia-27-silapentadecacyclo[26.22.0.02,6.02,48.03,26.04,23.05,9.010,22.012,20.014,19.031,50.032,44.034,42.035,40.045,49]pentaconta-1(28),3(26),4(23),5,7,10(22),11,14,16,18,20,24,29,31(50),32(44),33,35,37,39,42,46,48-docosaene;13,27,27,41-tetraphenyl-9,13,41,45-tetraza-6,48-diazonia-27-silapentadecacyclo[26.22.0.02,6.02,48.03,26.04,23.05,9.010,22.012,20.014,19.031,50.032,44.034,42.035,40.045,49]pentaconta-1(28),3(26),4(23),5,7,10(22),11,14,16,18,20,24,29,31(50),32(44),33,35,37,39,42,46,48-docosaene is Cc1cccc(C)c1-c1c[n+]2c3c4c5c(ccc4c4c6ccccc6c6ccccc6c4n13)Oc1cccc3c1C52[n+]1ccccc1-3.Cc1cccc(C)c1-c1c[n+]2c3c4c5c(ccc4c4cc6ccccc6cc4n13)Oc1cccc3c1C52[n+]1ccccc1-3.Cc1cccc(C)c1-c1c[n+]2c3c4c5c(ccc4c4ccccc4n13)Oc1cccc3c1C52[n+]1ccccc1-3.c1ccc(-n2c3ccccc3c3cc4c5ccc6c7c5c5n(cc[n+]5C75c7c(ccc8c9cc%10c%11ccccc%11n(-c%11ccccc%11)c%10cc9n9cc[n+]5c9c78)[Si]6(c5ccccc5)c5ccccc5)c4cc32)cc1.c1ccc([Si]2(c3ccccc3)c3ccc4c5c3C3(c6c2ccc2c6c6n(cc[n+]63)c3c6ccccc6c6ccccc6c23)[n+]2ccn(c3c6ccccc6c6ccccc6c43)c52)cc1.c1ccc([Si]2(c3ccccc3)c3ccc4c5cc6c(cc5n5cc[n+]7c5c4c3C73c4c2ccc2c5cc7c(cc5n5cc[n+]3c5c42)sc2ccccc27)sc2ccccc26)cc1.
What is the InChIKey of 7-(2,6-dimethylphenyl)-23-oxa-8-aza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,8.09,18.011,16.028,35.029,34]pentatriaconta-2(22),3(19),4,6,9,11,13,15,17,20,24,26,28(35),29,31,33-hexadecaene;7-(2,6-dimethylphenyl)-19-oxa-8-aza-5,30-diazonianonacyclo[18.10.1.01,5.02,18.03,15.04,8.09,14.024,31.025,30]hentriaconta-2(18),3(15),4,6,9,11,13,16,20,22,24(31),25,27,29-tetradecaene;7-(2,6-dimethylphenyl)-27-oxa-8-aza-5,38-diazoniaundecacyclo[26.10.1.01,5.02,26.03,23.04,8.09,22.010,15.016,21.032,39.033,38]nonatriaconta-2(26),3(23),4,6,9(22),10,12,14,16,18,20,24,28,30,32(39),33,35,37-octadecaene;28,28-diphenyl-9,47-diaza-6,50-diazonia-28-silapentadecacyclo[27.23.0.02,6.02,50.03,27.04,24.05,9.010,23.011,16.017,22.032,52.033,46.034,39.040,45.047,51]dopentaconta-1(29),3(27),4(24),5,7,10(23),11,13,15,17,19,21,25,30,32(52),33(46),34,36,38,40,42,44,48,50-tetracosaene;27,27-diphenyl-13,41-dithia-9,45-diaza-6,48-diazonia-27-silapentadecacyclo[26.22.0.02,6.02,48.03,26.04,23.05,9.010,22.012,20.014,19.031,50.032,44.034,42.035,40.045,49]pentaconta-1(28),3(26),4(23),5,7,10(22),11,14,16,18,20,24,29,31(50),32(44),33,35,37,39,42,46,48-docosaene;13,27,27,41-tetraphenyl-9,13,41,45-tetraza-6,48-diazonia-27-silapentadecacyclo[26.22.0.02,6.02,48.03,26.04,23.05,9.010,22.012,20.014,19.031,50.032,44.034,42.035,40.045,49]pentaconta-1(28),3(26),4(23),5,7,10(22),11,14,16,18,20,24,29,31(50),32(44),33,35,37,39,42,46,48-docosaene?
The InChIKey is PEVQARXETOSFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H40N6Si.C59H34N4Si.C55H30N4S2Si.C43H27N3O.C39H25N3O.C35H23N3O/c1-5-17-41(18-6-1)72-53-27-15-13-25-45(53)49-37-51-47-29-31-59-63-61(47)65-68(55(51)39-57(49)72)33-35-70(65)67(63)64-60(74(59,43-21-9-3-10-22-43)44-23-11-4-12-24-44)32-30-48-52-38-50-46-26-14-16-28-54(46)73(42-19-7-2-8-20-42)58(50)40-56(52)69-34-36-71(67)66(69)62(48)64;1-3-15-35(16-4-1)64(36-17-5-2-6-18-36)47-29-27-45-49-41-23-11-7-19-37(41)39-21-9-13-25-43(39)55(49)60-31-33-62-57(60)51(45)53(47)59(62)54-48(64)30-28-46-50-42-24-12-8-20-38(42)40-22-10-14-26-44(40)56(50)61-32-34-63(59)58(61)52(46)54;1-3-11-31(12-4-1)62(32-13-5-2-6-14-32)47-21-19-35-37-27-39-33-15-7-9-17-43(33)60-45(39)29-41(37)56-23-25-58-53(56)49(35)51(47)55(58)52-48(62)22-20-36-38-28-40-34-16-8-10-18-44(34)61-46(40)30-42(38)57-24-26-59(55)54(57)50(36)52;1-24-11-9-12-25(2)36(24)33-23-45-42-38-31(37-28-15-5-3-13-26(28)27-14-4-6-16-29(27)41(37)46(33)42)20-21-35-40(38)43(45)39-30(17-10-19-34(39)47-35)32-18-7-8-22-44(32)43;1-22-9-7-10-23(2)34(22)31-21-41-38-35-26(28-19-24-11-3-4-12-25(24)20-30(28)42(31)38)16-17-33-37(35)39(41)36-27(13-8-15-32(36)43-33)29-14-5-6-18-40(29)39;1-20-9-7-10-21(2)30(20)27-19-37-34-31-23(22-11-3-4-14-26(22)38(27)34)16-17-29-33(31)35(37)32-24(12-8-15-28(32)39-29)25-13-5-6-18-36(25)35/h1-40H;1-34H;1-30H;3-23H,1-2H3;3-21H,1-2H3;3-19H,1-2H3/q6*+2.
What are the key properties of 7-(2,6-dimethylphenyl)-23-oxa-8-aza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,8.09,18.011,16.028,35.029,34]pentatriaconta-2(22),3(19),4,6,9,11,13,15,17,20,24,26,28(35),29,31,33-hexadecaene;7-(2,6-dimethylphenyl)-19-oxa-8-aza-5,30-diazonianonacyclo[18.10.1.01,5.02,18.03,15.04,8.09,14.024,31.025,30]hentriaconta-2(18),3(15),4,6,9,11,13,16,20,22,24(31),25,27,29-tetradecaene;7-(2,6-dimethylphenyl)-27-oxa-8-aza-5,38-diazoniaundecacyclo[26.10.1.01,5.02,26.03,23.04,8.09,22.010,15.016,21.032,39.033,38]nonatriaconta-2(26),3(23),4,6,9(22),10,12,14,16,18,20,24,28,30,32(39),33,35,37-octadecaene;28,28-diphenyl-9,47-diaza-6,50-diazonia-28-silapentadecacyclo[27.23.0.02,6.02,50.03,27.04,24.05,9.010,23.011,16.017,22.032,52.033,46.034,39.040,45.047,51]dopentaconta-1(29),3(27),4(24),5,7,10(23),11,13,15,17,19,21,25,30,32(52),33(46),34,36,38,40,42,44,48,50-tetracosaene;27,27-diphenyl-13,41-dithia-9,45-diaza-6,48-diazonia-27-silapentadecacyclo[26.22.0.02,6.02,48.03,26.04,23.05,9.010,22.012,20.014,19.031,50.032,44.034,42.035,40.045,49]pentaconta-1(28),3(26),4(23),5,7,10(22),11,14,16,18,20,24,29,31(50),32(44),33,35,37,39,42,46,48-docosaene;13,27,27,41-tetraphenyl-9,13,41,45-tetraza-6,48-diazonia-27-silapentadecacyclo[26.22.0.02,6.02,48.03,26.04,23.05,9.010,22.012,20.014,19.031,50.032,44.034,42.035,40.045,49]pentaconta-1(28),3(26),4(23),5,7,10(22),11,14,16,18,20,24,29,31(50),32(44),33,35,37,39,42,46,48-docosaene?
7-(2,6-dimethylphenyl)-23-oxa-8-aza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,8.09,18.011,16.028,35.029,34]pentatriaconta-2(22),3(19),4,6,9,11,13,15,17,20,24,26,28(35),29,31,33-hexadecaene;7-(2,6-dimethylphenyl)-19-oxa-8-aza-5,30-diazonianonacyclo[18.10.1.01,5.02,18.03,15.04,8.09,14.024,31.025,30]hentriaconta-2(18),3(15),4,6,9,11,13,16,20,22,24(31),25,27,29-tetradecaene;7-(2,6-dimethylphenyl)-27-oxa-8-aza-5,38-diazoniaundecacyclo[26.10.1.01,5.02,26.03,23.04,8.09,22.010,15.016,21.032,39.033,38]nonatriaconta-2(26),3(23),4,6,9(22),10,12,14,16,18,20,24,28,30,32(39),33,35,37-octadecaene;28,28-diphenyl-9,47-diaza-6,50-diazonia-28-silapentadecacyclo[27.23.0.02,6.02,50.03,27.04,24.05,9.010,23.011,16.017,22.032,52.033,46.034,39.040,45.047,51]dopentaconta-1(29),3(27),4(24),5,7,10(23),11,13,15,17,19,21,25,30,32(52),33(46),34,36,38,40,42,44,48,50-tetracosaene;27,27-diphenyl-13,41-dithia-9,45-diaza-6,48-diazonia-27-silapentadecacyclo[26.22.0.02,6.02,48.03,26.04,23.05,9.010,22.012,20.014,19.031,50.032,44.034,42.035,40.045,49]pentaconta-1(28),3(26),4(23),5,7,10(22),11,14,16,18,20,24,29,31(50),32(44),33,35,37,39,42,46,48-docosaene;13,27,27,41-tetraphenyl-9,13,41,45-tetraza-6,48-diazonia-27-silapentadecacyclo[26.22.0.02,6.02,48.03,26.04,23.05,9.010,22.012,20.014,19.031,50.032,44.034,42.035,40.045,49]pentaconta-1(28),3(26),4(23),5,7,10(22),11,14,16,18,20,24,29,31(50),32(44),33,35,37,39,42,46,48-docosaene has a molecular weight of 4278.26 g/mol, XLogP of 54.39, 11 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,6-dimethylphenyl)-23-oxa-8-aza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,8.09,18.011,16.028,35.029,34]pentatriaconta-2(22),3(19),4,6,9,11,13,15,17,20,24,26,28(35),29,31,33-hexadecaene;7-(2,6-dimethylphenyl)-19-oxa-8-aza-5,30-diazonianonacyclo[18.10.1.01,5.02,18.03,15.04,8.09,14.024,31.025,30]hentriaconta-2(18),3(15),4,6,9,11,13,16,20,22,24(31),25,27,29-tetradecaene;7-(2,6-dimethylphenyl)-27-oxa-8-aza-5,38-diazoniaundecacyclo[26.10.1.01,5.02,26.03,23.04,8.09,22.010,15.016,21.032,39.033,38]nonatriaconta-2(26),3(23),4,6,9(22),10,12,14,16,18,20,24,28,30,32(39),33,35,37-octadecaene;28,28-diphenyl-9,47-diaza-6,50-diazonia-28-silapentadecacyclo[27.23.0.02,6.02,50.03,27.04,24.05,9.010,23.011,16.017,22.032,52.033,46.034,39.040,45.047,51]dopentaconta-1(29),3(27),4(24),5,7,10(23),11,13,15,17,19,21,25,30,32(52),33(46),34,36,38,40,42,44,48,50-tetracosaene;27,27-diphenyl-13,41-dithia-9,45-diaza-6,48-diazonia-27-silapentadecacyclo[26.22.0.02,6.02,48.03,26.04,23.05,9.010,22.012,20.014,19.031,50.032,44.034,42.035,40.045,49]pentaconta-1(28),3(26),4(23),5,7,10(22),11,14,16,18,20,24,29,31(50),32(44),33,35,37,39,42,46,48-docosaene;13,27,27,41-tetraphenyl-9,13,41,45-tetraza-6,48-diazonia-27-silapentadecacyclo[26.22.0.02,6.02,48.03,26.04,23.05,9.010,22.012,20.014,19.031,50.032,44.034,42.035,40.045,49]pentaconta-1(28),3(26),4(23),5,7,10(22),11,14,16,18,20,24,29,31(50),32(44),33,35,37,39,42,46,48-docosaene is sourced from PubChem (CID 158604294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).