32-carbazol-9-yl-53,58-diazatetradecacyclo[50.2.2.27,54.28,11.212,15.221,24.240,43.244,47.248,51.116,20.125,29.130,34.135,39.04,57]tetraheptaconta-1(54),2,4(57),5,7(58),8(74),9,11(73),12(72),13,15(71),16(70),17,19,21(69),22,24(68),25(67),26,28,30,32,34(66),35,37,39(65),40,42,44,46,48,50,52,55,59,61,63-heptatriacontaene;15-dibenzothiophen-4-yl-6,9,12,18,21,24-hexaoxa-15,38,41-triazahexacyclo[27.8.4.22,5.225,28.032,40.035,39]pentatetraconta-1(38),2(45),3,5(44),25(43),26,28(42),29(41),30,32(40),33,35(39),36-tridecaene;32-(9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)-53,58-diazatetradecacyclo[50.2.2.27,54.28,11.212,15.221,24.240,43.244,47.248,51.116,20.125,29.130,34.135,39.04,57]tetraheptaconta-1(54),2,4(57),5,7(58),8(74),9,11(73),12(72),13,15(71),16(70),17,19,21(69),22,24(68),25(67),26,28,30,32,34(66),35,37,39(65),40,42,44,46,48,50,52,55,59,61,63-heptatriacontaene;15-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,9,12,18,21,24-hexaoxa-15,38,41-triazahexacyclo[27.8.4.22,5.225,28.032,40.035,39]pentatetraconta-1(38),2(45),3,5(44),25(43),26,28(42),29(41),30,32(40),33,35(39),36-tridecaene;methane;22-(9-phenylcarbazol-3-yl)-52,55-diazatridecacyclo[41.8.4.22,5.211,14.230,33.239,42.16,10.115,19.120,24.125,29.134,38.046,54.049,53]octahexaconta-1(52),2(68),3,5(67),6,8,10(66),11(65),12,14(64),15(63),16,18,20(62),21,23,25,27,29(61),30,32,34(58),35,37,39,41,43(55),44,46(54),47,49(53),50,56,59-tetratriacontaene;22-(2-phenylquinazolin-6-yl)-52,55-diazatridecacyclo[41.8.4.22,5.211,14.230,33.239,42.16,10.115,19.120,24.125,29.134,38.046,54.049,53]octahexaconta-1(52),2(68),3,5(67),6,8,10(66),11(65),12,14(64),15(63),16,18,20(62),21,23,25,27,29(61),30,32,34(58),35,37,39,41,43(55),44,46(54),47,49(53),50,56,59-tetratriacontaene

C450H317N23O12S — CID 158872691

IUPAC32-carbazol-9-yl-53,58-diazatetradecacyclo[50.2.2.27,54.28,11.212,15.221,24.240,43.244,47.248,51.116,20.125,29.130,34.135,39.04,57]tetraheptaconta-1(54),2,4(57),5,7(58),8(74),9,11(73),12(72),13,15(71),16(70),17,19,21(69),22,24(68),25(67),26,28,30,32,34(66),35,37,39(65),40,42,44,46,48,50,52,55,59,61,63-heptatriacontaene;15-dibenzothiophen-4-yl-6,9,12,18,21,24-hexaoxa-15,38,41-triazahexacyclo[27.8.4.22,5.225,28.032,40.035,39]pentatetraconta-1(38),2(45),3,5(44),25(43),26,28(42),29(41),30,32(40),33,35(39),36-tridecaene;32-(9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)-53,58-diazatetradecacyclo[50.2.2.27,54.28,11.212,15.221,24.240,43.244,47.248,51.116,20.125,29.130,34.135,39.04,57]tetraheptaconta-1(54),2,4(57),5,7(58),8(74),9,11(73),12(72),13,15(71),16(70),17,19,21(69),22,24(68),25(67),26,28,30,32,34(66),35,37,39(65),40,42,44,46,48,50,52,55,59,61,63-heptatriacontaene;15-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,9,12,18,21,24-hexaoxa-15,38,41-triazahexacyclo[27.8.4.22,5.225,28.032,40.035,39]pentatetraconta-1(38),2(45),3,5(44),25(43),26,28(42),29(41),30,32(40),33,35(39),36-tridecaene;methane;22-(9-phenylcarbazol-3-yl)-52,55-diazatridecacyclo[41.8.4.22,5.211,14.230,33.239,42.16,10.115,19.120,24.125,29.134,38.046,54.049,53]octahexaconta-1(52),2(68),3,5(67),6,8,10(66),11(65),12,14(64),15(63),16,18,20(62),21,23,25,27,29(61),30,32,34(58),35,37,39,41,43(55),44,46(54),47,49(53),50,56,59-tetratriacontaene;22-(2-phenylquinazolin-6-yl)-52,55-diazatridecacyclo[41.8.4.22,5.211,14.230,33.239,42.16,10.115,19.120,24.125,29.134,38.046,54.049,53]octahexaconta-1(52),2(68),3,5(67),6,8,10(66),11(65),12,14(64),15(63),16,18,20(62),21,23,25,27,29(61),30,32,34(58),35,37,39,41,43(55),44,46(54),47,49(53),50,56,59-tetratriacontaene
SMILESC.c1cc2cc(c1)c1ccc(cc1)c1cccc(c1)c1cc(-n3c4ccccc4c4ccccc43)cc(c1)c1cccc(c1)c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)c1ccc3ccc4ccc(nc4c3n1)c1ccc(cc1)c1ccc2cc1.c1ccc(-c2nc(-c3ccccc3)nc(N3CCOCCOCCOc4ccc(cc4)-c4ccc5ccc6ccc(nc6c5n4)-c4ccc(cc4)OCCOCCOCC3)n2)cc1.c1ccc(-c2ncc3cc(-c4cc5cc(c4)-c4cccc(c4)-c4ccc(cc4)-c4cccc(c4)-c4ccc(cc4)-c4ccc6ccc7ccc(nc7c6n4)-c4ccc(cc4)-c4cccc(c4)-c4ccc(cc4)-c4cccc-5c4)ccc3n2)cc1.c1ccc(-n2c3ccccc3c3c4c5cc(-c6cc7cc(c6)c6cccc(c6)c6ccc(cc6)c6cccc(c6)c6ccc(cc6)c6ccc(cc6)c6ccc8ccc9ccc(nc9c8n6)c6ccc(cc6)c6ccc(cc6)c6ccc(cc6)c6cccc7c6)ccc5n(-c5ccccc5)c4ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cc5cc(c4)-c4cccc(c4)-c4ccc(cc4)-c4cccc(c4)-c4ccc(cc4)-c4ccc6ccc7ccc(nc7c6n4)-c4ccc(cc4)-c4cccc(c4)-c4ccc(cc4)-c4cccc-5c4)ccc32)cc1.c1ccc2c(c1)sc1c(N3CCOCCOCCOc4ccc(cc4)-c4ccc5ccc6ccc(nc6c5n4)-c4ccc(cc4)OCCOCCOCC3)cccc12
InChIInChI=1S/C102H64N4.2C84H53N3.C80H50N4.C51H48N6O6.C48H45N3O6S.CH4/c1-3-18-89(19-4-1)105-95-23-8-7-22-91(95)99-97(105)56-57-98-100(99)92-64-85(52-55-96(92)106(98)90-20-5-2-6-21-90)88-62-86-61-87(63-88)84-17-11-15-82(60-84)74-38-36-73(37-39-74)80-13-9-12-79(58-80)71-32-30-68(31-33-71)70-42-46-76(47-43-70)94-54-51-78-49-48-77-50-53-93(103-101(77)102(78)104-94)75-44-40-69(41-45-75)66-26-24-65(25-27-66)67-28-34-72(35-29-67)81-14-10-16-83(86)59-81;1-3-16-81-77(14-1)78-15-2-4-17-82(78)87(81)76-52-74-51-75(53-76)73-13-7-11-71(50-73)63-32-30-62(31-33-63)69-9-5-8-68(48-69)60-26-24-57(25-27-60)59-36-40-65(41-37-59)80-47-45-67-43-42-66-44-46-79(85-83(66)84(67)86-80)64-38-34-58(35-39-64)55-20-18-54(19-21-55)56-22-28-61(29-23-56)70-10-6-12-72(74)49-70;1-2-18-76(19-3-1)87-81-21-5-4-20-77(81)78-53-72(42-45-82(78)87)75-51-73-50-74(52-75)71-17-9-15-69(49-71)57-28-24-55(25-29-57)65-11-7-13-67(47-65)59-32-36-61(37-33-59)80-44-41-63-39-38-62-40-43-79(85-83(62)84(63)86-80)60-34-30-58(31-35-60)66-12-6-10-64(46-66)54-22-26-56(27-23-54)68-14-8-16-70(73)48-68;1-2-8-61(9-3-1)80-81-50-74-46-70(38-41-77(74)84-80)73-48-71-47-72(49-73)69-17-7-15-67(45-69)54-24-20-52(21-25-54)63-11-5-13-65(43-63)56-28-32-58(33-29-56)76-40-37-60-35-34-59-36-39-75(82-78(59)79(60)83-76)57-30-26-55(27-31-57)64-12-4-10-62(42-64)51-18-22-53(23-19-51)66-14-6-16-68(71)44-66;1-3-7-41(8-4-1)49-54-50(42-9-5-2-6-10-42)56-51(55-49)57-25-27-58-29-31-60-33-35-62-43-19-13-37(14-20-43)45-23-17-39-11-12-40-18-24-46(53-48(40)47(39)52-45)38-15-21-44(22-16-38)63-36-34-61-32-30-59-28-26-57;1-2-7-45-40(4-1)41-5-3-6-44(48(41)58-45)51-22-24-52-26-28-54-30-32-56-38-16-10-34(11-17-38)42-20-14-36-8-9-37-15-21-43(50-47(37)46(36)49-42)35-12-18-39(19-13-35)57-33-31-55-29-27-53-25-23-51;/h1-64H;2*1-53H;1-50H;1-24H,25-36H2;1-21H,22-33H2;1H4
InChIKeyJCASPMCUQNYURQ-UHFFFAOYSA-N
MW6270.70 g/mol
LogP113.91
Rot. Bonds12

About 32-carbazol-9-yl-53,58-diazatetradecacyclo[50.2.2.27,54.28,11.212,15.221,24.240,43.244,47.248,51.116,20.125,29.130,34.135,39.04,57]tetraheptaconta-1(54),2,4(57),5,7(58),8(74),9,11(73),12(72),13,15(71),16(70),17,19,21(69),22,24(68),25(67),26,28,30,32,34(66),35,37,39(65),40,42,44,46,48,50,52,55,59,61,63-heptatriacontaene;15-dibenzothiophen-4-yl-6,9,12,18,21,24-hexaoxa-15,38,41-triazahexacyclo[27.8.4.22,5.225,28.032,40.035,39]pentatetraconta-1(38),2(45),3,5(44),25(43),26,28(42),29(41),30,32(40),33,35(39),36-tridecaene;32-(9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)-53,58-diazatetradecacyclo[50.2.2.27,54.28,11.212,15.221,24.240,43.244,47.248,51.116,20.125,29.130,34.135,39.04,57]tetraheptaconta-1(54),2,4(57),5,7(58),8(74),9,11(73),12(72),13,15(71),16(70),17,19,21(69),22,24(68),25(67),26,28,30,32,34(66),35,37,39(65),40,42,44,46,48,50,52,55,59,61,63-heptatriacontaene;15-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,9,12,18,21,24-hexaoxa-15,38,41-triazahexacyclo[27.8.4.22,5.225,28.032,40.035,39]pentatetraconta-1(38),2(45),3,5(44),25(43),26,28(42),29(41),30,32(40),33,35(39),36-tridecaene;methane;22-(9-phenylcarbazol-3-yl)-52,55-diazatridecacyclo[41.8.4.22,5.211,14.230,33.239,42.16,10.115,19.120,24.125,29.134,38.046,54.049,53]octahexaconta-1(52),2(68),3,5(67),6,8,10(66),11(65),12,14(64),15(63),16,18,20(62),21,23,25,27,29(61),30,32,34(58),35,37,39,41,43(55),44,46(54),47,49(53),50,56,59-tetratriacontaene;22-(2-phenylquinazolin-6-yl)-52,55-diazatridecacyclo[41.8.4.22,5.211,14.230,33.239,42.16,10.115,19.120,24.125,29.134,38.046,54.049,53]octahexaconta-1(52),2(68),3,5(67),6,8,10(66),11(65),12,14(64),15(63),16,18,20(62),21,23,25,27,29(61),30,32,34(58),35,37,39,41,43(55),44,46(54),47,49(53),50,56,59-tetratriacontaene

32-carbazol-9-yl-53,58-diazatetradecacyclo[50.2.2.27,54.28,11.212,15.221,24.240,43.244,47.248,51.116,20.125,29.130,34.135,39.04,57]tetraheptaconta-1(54),2,4(57),5,7(58),8(74),9,11(73),12(72),13,15(71),16(70),17,19,21(69),22,24(68),25(67),26,28,30,32,34(66),35,37,39(65),40,42,44,46,48,50,52,55,59,61,63-heptatriacontaene;15-dibenzothiophen-4-yl-6,9,12,18,21,24-hexaoxa-15,38,41-triazahexacyclo[27.8.4.22,5.225,28.032,40.035,39]pentatetraconta-1(38),2(45),3,5(44),25(43),26,28(42),29(41),30,32(40),33,35(39),36-tridecaene;32-(9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)-53,58-diazatetradecacyclo[50.2.2.27,54.28,11.212,15.221,24.240,43.244,47.248,51.116,20.125,29.130,34.135,39.04,57]tetraheptaconta-1(54),2,4(57),5,7(58),8(74),9,11(73),12(72),13,15(71),16(70),17,19,21(69),22,24(68),25(67),26,28,30,32,34(66),35,37,39(65),40,42,44,46,48,50,52,55,59,61,63-heptatriacontaene;15-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,9,12,18,21,24-hexaoxa-15,38,41-triazahexacyclo[27.8.4.22,5.225,28.032,40.035,39]pentatetraconta-1(38),2(45),3,5(44),25(43),26,28(42),29(41),30,32(40),33,35(39),36-tridecaene;methane;22-(9-phenylcarbazol-3-yl)-52,55-diazatridecacyclo[41.8.4.22,5.211,14.230,33.239,42.16,10.115,19.120,24.125,29.134,38.046,54.049,53]octahexaconta-1(52),2(68),3,5(67),6,8,10(66),11(65),12,14(64),15(63),16,18,20(62),21,23,25,27,29(61),30,32,34(58),35,37,39,41,43(55),44,46(54),47,49(53),50,56,59-tetratriacontaene;22-(2-phenylquinazolin-6-yl)-52,55-diazatridecacyclo[41.8.4.22,5.211,14.230,33.239,42.16,10.115,19.120,24.125,29.134,38.046,54.049,53]octahexaconta-1(52),2(68),3,5(67),6,8,10(66),11(65),12,14(64),15(63),16,18,20(62),21,23,25,27,29(61),30,32,34(58),35,37,39,41,43(55),44,46(54),47,49(53),50,56,59-tetratriacontaene (PubChem CID 158872691) has the molecular formula C450H317N23O12S and a molecular weight of 6270.70 g/mol. Its IUPAC name is 32-carbazol-9-yl-53,58-diazatetradecacyclo[50.2.2.27,54.28,11.212,15.221,24.240,43.244,47.248,51.116,20.125,29.130,34.135,39.04,57]tetraheptaconta-1(54),2,4(57),5,7(58),8(74),9,11(73),12(72),13,15(71),16(70),17,19,21(69),22,24(68),25(67),26,28,30,32,34(66),35,37,39(65),40,42,44,46,48,50,52,55,59,61,63-heptatriacontaene;15-dibenzothiophen-4-yl-6,9,12,18,21,24-hexaoxa-15,38,41-triazahexacyclo[27.8.4.22,5.225,28.032,40.035,39]pentatetraconta-1(38),2(45),3,5(44),25(43),26,28(42),29(41),30,32(40),33,35(39),36-tridecaene;32-(9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)-53,58-diazatetradecacyclo[50.2.2.27,54.28,11.212,15.221,24.240,43.244,47.248,51.116,20.125,29.130,34.135,39.04,57]tetraheptaconta-1(54),2,4(57),5,7(58),8(74),9,11(73),12(72),13,15(71),16(70),17,19,21(69),22,24(68),25(67),26,28,30,32,34(66),35,37,39(65),40,42,44,46,48,50,52,55,59,61,63-heptatriacontaene;15-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,9,12,18,21,24-hexaoxa-15,38,41-triazahexacyclo[27.8.4.22,5.225,28.032,40.035,39]pentatetraconta-1(38),2(45),3,5(44),25(43),26,28(42),29(41),30,32(40),33,35(39),36-tridecaene;methane;22-(9-phenylcarbazol-3-yl)-52,55-diazatridecacyclo[41.8.4.22,5.211,14.230,33.239,42.16,10.115,19.120,24.125,29.134,38.046,54.049,53]octahexaconta-1(52),2(68),3,5(67),6,8,10(66),11(65),12,14(64),15(63),16,18,20(62),21,23,25,27,29(61),30,32,34(58),35,37,39,41,43(55),44,46(54),47,49(53),50,56,59-tetratriacontaene;22-(2-phenylquinazolin-6-yl)-52,55-diazatridecacyclo[41.8.4.22,5.211,14.230,33.239,42.16,10.115,19.120,24.125,29.134,38.046,54.049,53]octahexaconta-1(52),2(68),3,5(67),6,8,10(66),11(65),12,14(64),15(63),16,18,20(62),21,23,25,27,29(61),30,32,34(58),35,37,39,41,43(55),44,46(54),47,49(53),50,56,59-tetratriacontaene.

Molecular Properties

Compound Name32-carbazol-9-yl-53,58-diazatetradecacyclo[50.2.2.27,54.28,11.212,15.221,24.240,43.244,47.248,51.116,20.125,29.130,34.135,39.04,57]tetraheptaconta-1(54),2,4(57),5,7(58),8(74),9,11(73),12(72),13,15(71),16(70),17,19,21(69),22,24(68),25(67),26,28,30,32,34(66),35,37,39(65),40,42,44,46,48,50,52,55,59,61,63-heptatriacontaene;15-dibenzothiophen-4-yl-6,9,12,18,21,24-hexaoxa-15,38,41-triazahexacyclo[27.8.4.22,5.225,28.032,40.035,39]pentatetraconta-1(38),2(45),3,5(44),25(43),26,28(42),29(41),30,32(40),33,35(39),36-tridecaene;32-(9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)-53,58-diazatetradecacyclo[50.2.2.27,54.28,11.212,15.221,24.240,43.244,47.248,51.116,20.125,29.130,34.135,39.04,57]tetraheptaconta-1(54),2,4(57),5,7(58),8(74),9,11(73),12(72),13,15(71),16(70),17,19,21(69),22,24(68),25(67),26,28,30,32,34(66),35,37,39(65),40,42,44,46,48,50,52,55,59,61,63-heptatriacontaene;15-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,9,12,18,21,24-hexaoxa-15,38,41-triazahexacyclo[27.8.4.22,5.225,28.032,40.035,39]pentatetraconta-1(38),2(45),3,5(44),25(43),26,28(42),29(41),30,32(40),33,35(39),36-tridecaene;methane;22-(9-phenylcarbazol-3-yl)-52,55-diazatridecacyclo[41.8.4.22,5.211,14.230,33.239,42.16,10.115,19.120,24.125,29.134,38.046,54.049,53]octahexaconta-1(52),2(68),3,5(67),6,8,10(66),11(65),12,14(64),15(63),16,18,20(62),21,23,25,27,29(61),30,32,34(58),35,37,39,41,43(55),44,46(54),47,49(53),50,56,59-tetratriacontaene;22-(2-phenylquinazolin-6-yl)-52,55-diazatridecacyclo[41.8.4.22,5.211,14.230,33.239,42.16,10.115,19.120,24.125,29.134,38.046,54.049,53]octahexaconta-1(52),2(68),3,5(67),6,8,10(66),11(65),12,14(64),15(63),16,18,20(62),21,23,25,27,29(61),30,32,34(58),35,37,39,41,43(55),44,46(54),47,49(53),50,56,59-tetratriacontaene
PubChem CID158872691
Molecular FormulaC450H317N23O12S
Molecular Weight6270.70 g/mol
Exact Mass6265.46
IUPAC Name32-carbazol-9-yl-53,58-diazatetradecacyclo[50.2.2.27,54.28,11.212,15.221,24.240,43.244,47.248,51.116,20.125,29.130,34.135,39.04,57]tetraheptaconta-1(54),2,4(57),5,7(58),8(74),9,11(73),12(72),13,15(71),16(70),17,19,21(69),22,24(68),25(67),26,28,30,32,34(66),35,37,39(65),40,42,44,46,48,50,52,55,59,61,63-heptatriacontaene;15-dibenzothiophen-4-yl-6,9,12,18,21,24-hexaoxa-15,38,41-triazahexacyclo[27.8.4.22,5.225,28.032,40.035,39]pentatetraconta-1(38),2(45),3,5(44),25(43),26,28(42),29(41),30,32(40),33,35(39),36-tridecaene;32-(9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)-53,58-diazatetradecacyclo[50.2.2.27,54.28,11.212,15.221,24.240,43.244,47.248,51.116,20.125,29.130,34.135,39.04,57]tetraheptaconta-1(54),2,4(57),5,7(58),8(74),9,11(73),12(72),13,15(71),16(70),17,19,21(69),22,24(68),25(67),26,28,30,32,34(66),35,37,39(65),40,42,44,46,48,50,52,55,59,61,63-heptatriacontaene;15-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,9,12,18,21,24-hexaoxa-15,38,41-triazahexacyclo[27.8.4.22,5.225,28.032,40.035,39]pentatetraconta-1(38),2(45),3,5(44),25(43),26,28(42),29(41),30,32(40),33,35(39),36-tridecaene;methane;22-(9-phenylcarbazol-3-yl)-52,55-diazatridecacyclo[41.8.4.22,5.211,14.230,33.239,42.16,10.115,19.120,24.125,29.134,38.046,54.049,53]octahexaconta-1(52),2(68),3,5(67),6,8,10(66),11(65),12,14(64),15(63),16,18,20(62),21,23,25,27,29(61),30,32,34(58),35,37,39,41,43(55),44,46(54),47,49(53),50,56,59-tetratriacontaene;22-(2-phenylquinazolin-6-yl)-52,55-diazatridecacyclo[41.8.4.22,5.211,14.230,33.239,42.16,10.115,19.120,24.125,29.134,38.046,54.049,53]octahexaconta-1(52),2(68),3,5(67),6,8,10(66),11(65),12,14(64),15(63),16,18,20(62),21,23,25,27,29(61),30,32,34(58),35,37,39,41,43(55),44,46(54),47,49(53),50,56,59-tetratriacontaene
SMILESC.c1cc2cc(c1)c1ccc(cc1)c1cccc(c1)c1cc(-n3c4ccccc4c4ccccc43)cc(c1)c1cccc(c1)c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)c1ccc3ccc4ccc(nc4c3n1)c1ccc(cc1)c1ccc2cc1.c1ccc(-c2nc(-c3ccccc3)nc(N3CCOCCOCCOc4ccc(cc4)-c4ccc5ccc6ccc(nc6c5n4)-c4ccc(cc4)OCCOCCOCC3)n2)cc1.c1ccc(-c2ncc3cc(-c4cc5cc(c4)-c4cccc(c4)-c4ccc(cc4)-c4cccc(c4)-c4ccc(cc4)-c4ccc6ccc7ccc(nc7c6n4)-c4ccc(cc4)-c4cccc(c4)-c4ccc(cc4)-c4cccc-5c4)ccc3n2)cc1.c1ccc(-n2c3ccccc3c3c4c5cc(-c6cc7cc(c6)c6cccc(c6)c6ccc(cc6)c6cccc(c6)c6ccc(cc6)c6ccc(cc6)c6ccc8ccc9ccc(nc9c8n6)c6ccc(cc6)c6ccc(cc6)c6ccc(cc6)c6cccc7c6)ccc5n(-c5ccccc5)c4ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cc5cc(c4)-c4cccc(c4)-c4ccc(cc4)-c4cccc(c4)-c4ccc(cc4)-c4ccc6ccc7ccc(nc7c6n4)-c4ccc(cc4)-c4cccc(c4)-c4ccc(cc4)-c4cccc-5c4)ccc32)cc1.c1ccc2c(c1)sc1c(N3CCOCCOCCOc4ccc(cc4)-c4ccc5ccc6ccc(nc6c5n4)-c4ccc(cc4)OCCOCCOCC3)cccc12
InChIInChI=1S/C102H64N4.2C84H53N3.C80H50N4.C51H48N6O6.C48H45N3O6S.CH4/c1-3-18-89(19-4-1)105-95-23-8-7-22-91(95)99-97(105)56-57-98-100(99)92-64-85(52-55-96(92)106(98)90-20-5-2-6-21-90)88-62-86-61-87(63-88)84-17-11-15-82(60-84)74-38-36-73(37-39-74)80-13-9-12-79(58-80)71-32-30-68(31-33-71)70-42-46-76(47-43-70)94-54-51-78-49-48-77-50-53-93(103-101(77)102(78)104-94)75-44-40-69(41-45-75)66-26-24-65(25-27-66)67-28-34-72(35-29-67)81-14-10-16-83(86)59-81;1-3-16-81-77(14-1)78-15-2-4-17-82(78)87(81)76-52-74-51-75(53-76)73-13-7-11-71(50-73)63-32-30-62(31-33-63)69-9-5-8-68(48-69)60-26-24-57(25-27-60)59-36-40-65(41-37-59)80-47-45-67-43-42-66-44-46-79(85-83(66)84(67)86-80)64-38-34-58(35-39-64)55-20-18-54(19-21-55)56-22-28-61(29-23-56)70-10-6-12-72(74)49-70;1-2-18-76(19-3-1)87-81-21-5-4-20-77(81)78-53-72(42-45-82(78)87)75-51-73-50-74(52-75)71-17-9-15-69(49-71)57-28-24-55(25-29-57)65-11-7-13-67(47-65)59-32-36-61(37-33-59)80-44-41-63-39-38-62-40-43-79(85-83(62)84(63)86-80)60-34-30-58(31-35-60)66-12-6-10-64(46-66)54-22-26-56(27-23-54)68-14-8-16-70(73)48-68;1-2-8-61(9-3-1)80-81-50-74-46-70(38-41-77(74)84-80)73-48-71-47-72(49-73)69-17-7-15-67(45-69)54-24-20-52(21-25-54)63-11-5-13-65(43-63)56-28-32-58(33-29-56)76-40-37-60-35-34-59-36-39-75(82-78(59)79(60)83-76)57-30-26-55(27-31-57)64-12-4-10-62(42-64)51-18-22-53(23-19-51)66-14-6-16-68(71)44-66;1-3-7-41(8-4-1)49-54-50(42-9-5-2-6-10-42)56-51(55-49)57-25-27-58-29-31-60-33-35-62-43-19-13-37(14-20-43)45-23-17-39-11-12-40-18-24-46(53-48(40)47(39)52-45)38-15-21-44(22-16-38)63-36-34-61-32-30-59-28-26-57;1-2-7-45-40(4-1)41-5-3-6-44(48(41)58-45)51-22-24-52-26-28-54-30-32-56-38-16-10-34(11-17-38)42-20-14-36-8-9-37-15-21-43(50-47(37)46(36)49-42)35-12-18-39(19-13-35)57-33-31-55-29-27-53-25-23-51;/h1-64H;2*1-53H;1-50H;1-24H,25-36H2;1-21H,22-33H2;1H4
InChIKeyJCASPMCUQNYURQ-UHFFFAOYSA-N
XLogP113.91
TPSA356.09 Ų
H-Bond Donors
H-Bond Acceptors36
Rotatable Bonds12
Heavy Atoms486
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5006270.70
LogP ≤ 5113.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1036

Analyze 32-carbazol-9-yl-53,58-diazatetradecacyclo[50.2.2.27,54.28,11.212,15.221,24.240,43.244,47.248,51.116,20.125,29.130,34.135,39.04,57]tetraheptaconta-1(54),2,4(57),5,7(58),8(74),9,11(73),12(72),13,15(71),16(70),17,19,21(69),22,24(68),25(67),26,28,30,32,34(66),35,37,39(65),40,42,44,46,48,50,52,55,59,61,63-heptatriacontaene;15-dibenzothiophen-4-yl-6,9,12,18,21,24-hexaoxa-15,38,41-triazahexacyclo[27.8.4.22,5.225,28.032,40.035,39]pentatetraconta-1(38),2(45),3,5(44),25(43),26,28(42),29(41),30,32(40),33,35(39),36-tridecaene;32-(9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)-53,58-diazatetradecacyclo[50.2.2.27,54.28,11.212,15.221,24.240,43.244,47.248,51.116,20.125,29.130,34.135,39.04,57]tetraheptaconta-1(54),2,4(57),5,7(58),8(74),9,11(73),12(72),13,15(71),16(70),17,19,21(69),22,24(68),25(67),26,28,30,32,34(66),35,37,39(65),40,42,44,46,48,50,52,55,59,61,63-heptatriacontaene;15-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,9,12,18,21,24-hexaoxa-15,38,41-triazahexacyclo[27.8.4.22,5.225,28.032,40.035,39]pentatetraconta-1(38),2(45),3,5(44),25(43),26,28(42),29(41),30,32(40),33,35(39),36-tridecaene;methane;22-(9-phenylcarbazol-3-yl)-52,55-diazatridecacyclo[41.8.4.22,5.211,14.230,33.239,42.16,10.115,19.120,24.125,29.134,38.046,54.049,53]octahexaconta-1(52),2(68),3,5(67),6,8,10(66),11(65),12,14(64),15(63),16,18,20(62),21,23,25,27,29(61),30,32,34(58),35,37,39,41,43(55),44,46(54),47,49(53),50,56,59-tetratriacontaene;22-(2-phenylquinazolin-6-yl)-52,55-diazatridecacyclo[41.8.4.22,5.211,14.230,33.239,42.16,10.115,19.120,24.125,29.134,38.046,54.049,53]octahexaconta-1(52),2(68),3,5(67),6,8,10(66),11(65),12,14(64),15(63),16,18,20(62),21,23,25,27,29(61),30,32,34(58),35,37,39,41,43(55),44,46(54),47,49(53),50,56,59-tetratriacontaene with MolForge

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What is the IUPAC name of 32-carbazol-9-yl-53,58-diazatetradecacyclo[50.2.2.27,54.28,11.212,15.221,24.240,43.244,47.248,51.116,20.125,29.130,34.135,39.04,57]tetraheptaconta-1(54),2,4(57),5,7(58),8(74),9,11(73),12(72),13,15(71),16(70),17,19,21(69),22,24(68),25(67),26,28,30,32,34(66),35,37,39(65),40,42,44,46,48,50,52,55,59,61,63-heptatriacontaene;15-dibenzothiophen-4-yl-6,9,12,18,21,24-hexaoxa-15,38,41-triazahexacyclo[27.8.4.22,5.225,28.032,40.035,39]pentatetraconta-1(38),2(45),3,5(44),25(43),26,28(42),29(41),30,32(40),33,35(39),36-tridecaene;32-(9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)-53,58-diazatetradecacyclo[50.2.2.27,54.28,11.212,15.221,24.240,43.244,47.248,51.116,20.125,29.130,34.135,39.04,57]tetraheptaconta-1(54),2,4(57),5,7(58),8(74),9,11(73),12(72),13,15(71),16(70),17,19,21(69),22,24(68),25(67),26,28,30,32,34(66),35,37,39(65),40,42,44,46,48,50,52,55,59,61,63-heptatriacontaene;15-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,9,12,18,21,24-hexaoxa-15,38,41-triazahexacyclo[27.8.4.22,5.225,28.032,40.035,39]pentatetraconta-1(38),2(45),3,5(44),25(43),26,28(42),29(41),30,32(40),33,35(39),36-tridecaene;methane;22-(9-phenylcarbazol-3-yl)-52,55-diazatridecacyclo[41.8.4.22,5.211,14.230,33.239,42.16,10.115,19.120,24.125,29.134,38.046,54.049,53]octahexaconta-1(52),2(68),3,5(67),6,8,10(66),11(65),12,14(64),15(63),16,18,20(62),21,23,25,27,29(61),30,32,34(58),35,37,39,41,43(55),44,46(54),47,49(53),50,56,59-tetratriacontaene;22-(2-phenylquinazolin-6-yl)-52,55-diazatridecacyclo[41.8.4.22,5.211,14.230,33.239,42.16,10.115,19.120,24.125,29.134,38.046,54.049,53]octahexaconta-1(52),2(68),3,5(67),6,8,10(66),11(65),12,14(64),15(63),16,18,20(62),21,23,25,27,29(61),30,32,34(58),35,37,39,41,43(55),44,46(54),47,49(53),50,56,59-tetratriacontaene?
The IUPAC name of 32-carbazol-9-yl-53,58-diazatetradecacyclo[50.2.2.27,54.28,11.212,15.221,24.240,43.244,47.248,51.116,20.125,29.130,34.135,39.04,57]tetraheptaconta-1(54),2,4(57),5,7(58),8(74),9,11(73),12(72),13,15(71),16(70),17,19,21(69),22,24(68),25(67),26,28,30,32,34(66),35,37,39(65),40,42,44,46,48,50,52,55,59,61,63-heptatriacontaene;15-dibenzothiophen-4-yl-6,9,12,18,21,24-hexaoxa-15,38,41-triazahexacyclo[27.8.4.22,5.225,28.032,40.035,39]pentatetraconta-1(38),2(45),3,5(44),25(43),26,28(42),29(41),30,32(40),33,35(39),36-tridecaene;32-(9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)-53,58-diazatetradecacyclo[50.2.2.27,54.28,11.212,15.221,24.240,43.244,47.248,51.116,20.125,29.130,34.135,39.04,57]tetraheptaconta-1(54),2,4(57),5,7(58),8(74),9,11(73),12(72),13,15(71),16(70),17,19,21(69),22,24(68),25(67),26,28,30,32,34(66),35,37,39(65),40,42,44,46,48,50,52,55,59,61,63-heptatriacontaene;15-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,9,12,18,21,24-hexaoxa-15,38,41-triazahexacyclo[27.8.4.22,5.225,28.032,40.035,39]pentatetraconta-1(38),2(45),3,5(44),25(43),26,28(42),29(41),30,32(40),33,35(39),36-tridecaene;methane;22-(9-phenylcarbazol-3-yl)-52,55-diazatridecacyclo[41.8.4.22,5.211,14.230,33.239,42.16,10.115,19.120,24.125,29.134,38.046,54.049,53]octahexaconta-1(52),2(68),3,5(67),6,8,10(66),11(65),12,14(64),15(63),16,18,20(62),21,23,25,27,29(61),30,32,34(58),35,37,39,41,43(55),44,46(54),47,49(53),50,56,59-tetratriacontaene;22-(2-phenylquinazolin-6-yl)-52,55-diazatridecacyclo[41.8.4.22,5.211,14.230,33.239,42.16,10.115,19.120,24.125,29.134,38.046,54.049,53]octahexaconta-1(52),2(68),3,5(67),6,8,10(66),11(65),12,14(64),15(63),16,18,20(62),21,23,25,27,29(61),30,32,34(58),35,37,39,41,43(55),44,46(54),47,49(53),50,56,59-tetratriacontaene (CID 158872691) is 32-carbazol-9-yl-53,58-diazatetradecacyclo[50.2.2.27,54.28,11.212,15.221,24.240,43.244,47.248,51.116,20.125,29.130,34.135,39.04,57]tetraheptaconta-1(54),2,4(57),5,7(58),8(74),9,11(73),12(72),13,15(71),16(70),17,19,21(69),22,24(68),25(67),26,28,30,32,34(66),35,37,39(65),40,42,44,46,48,50,52,55,59,61,63-heptatriacontaene;15-dibenzothiophen-4-yl-6,9,12,18,21,24-hexaoxa-15,38,41-triazahexacyclo[27.8.4.22,5.225,28.032,40.035,39]pentatetraconta-1(38),2(45),3,5(44),25(43),26,28(42),29(41),30,32(40),33,35(39),36-tridecaene;32-(9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)-53,58-diazatetradecacyclo[50.2.2.27,54.28,11.212,15.221,24.240,43.244,47.248,51.116,20.125,29.130,34.135,39.04,57]tetraheptaconta-1(54),2,4(57),5,7(58),8(74),9,11(73),12(72),13,15(71),16(70),17,19,21(69),22,24(68),25(67),26,28,30,32,34(66),35,37,39(65),40,42,44,46,48,50,52,55,59,61,63-heptatriacontaene;15-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,9,12,18,21,24-hexaoxa-15,38,41-triazahexacyclo[27.8.4.22,5.225,28.032,40.035,39]pentatetraconta-1(38),2(45),3,5(44),25(43),26,28(42),29(41),30,32(40),33,35(39),36-tridecaene;methane;22-(9-phenylcarbazol-3-yl)-52,55-diazatridecacyclo[41.8.4.22,5.211,14.230,33.239,42.16,10.115,19.120,24.125,29.134,38.046,54.049,53]octahexaconta-1(52),2(68),3,5(67),6,8,10(66),11(65),12,14(64),15(63),16,18,20(62),21,23,25,27,29(61),30,32,34(58),35,37,39,41,43(55),44,46(54),47,49(53),50,56,59-tetratriacontaene;22-(2-phenylquinazolin-6-yl)-52,55-diazatridecacyclo[41.8.4.22,5.211,14.230,33.239,42.16,10.115,19.120,24.125,29.134,38.046,54.049,53]octahexaconta-1(52),2(68),3,5(67),6,8,10(66),11(65),12,14(64),15(63),16,18,20(62),21,23,25,27,29(61),30,32,34(58),35,37,39,41,43(55),44,46(54),47,49(53),50,56,59-tetratriacontaene.
What is the SMILES notation for 32-carbazol-9-yl-53,58-diazatetradecacyclo[50.2.2.27,54.28,11.212,15.221,24.240,43.244,47.248,51.116,20.125,29.130,34.135,39.04,57]tetraheptaconta-1(54),2,4(57),5,7(58),8(74),9,11(73),12(72),13,15(71),16(70),17,19,21(69),22,24(68),25(67),26,28,30,32,34(66),35,37,39(65),40,42,44,46,48,50,52,55,59,61,63-heptatriacontaene;15-dibenzothiophen-4-yl-6,9,12,18,21,24-hexaoxa-15,38,41-triazahexacyclo[27.8.4.22,5.225,28.032,40.035,39]pentatetraconta-1(38),2(45),3,5(44),25(43),26,28(42),29(41),30,32(40),33,35(39),36-tridecaene;32-(9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)-53,58-diazatetradecacyclo[50.2.2.27,54.28,11.212,15.221,24.240,43.244,47.248,51.116,20.125,29.130,34.135,39.04,57]tetraheptaconta-1(54),2,4(57),5,7(58),8(74),9,11(73),12(72),13,15(71),16(70),17,19,21(69),22,24(68),25(67),26,28,30,32,34(66),35,37,39(65),40,42,44,46,48,50,52,55,59,61,63-heptatriacontaene;15-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,9,12,18,21,24-hexaoxa-15,38,41-triazahexacyclo[27.8.4.22,5.225,28.032,40.035,39]pentatetraconta-1(38),2(45),3,5(44),25(43),26,28(42),29(41),30,32(40),33,35(39),36-tridecaene;methane;22-(9-phenylcarbazol-3-yl)-52,55-diazatridecacyclo[41.8.4.22,5.211,14.230,33.239,42.16,10.115,19.120,24.125,29.134,38.046,54.049,53]octahexaconta-1(52),2(68),3,5(67),6,8,10(66),11(65),12,14(64),15(63),16,18,20(62),21,23,25,27,29(61),30,32,34(58),35,37,39,41,43(55),44,46(54),47,49(53),50,56,59-tetratriacontaene;22-(2-phenylquinazolin-6-yl)-52,55-diazatridecacyclo[41.8.4.22,5.211,14.230,33.239,42.16,10.115,19.120,24.125,29.134,38.046,54.049,53]octahexaconta-1(52),2(68),3,5(67),6,8,10(66),11(65),12,14(64),15(63),16,18,20(62),21,23,25,27,29(61),30,32,34(58),35,37,39,41,43(55),44,46(54),47,49(53),50,56,59-tetratriacontaene?
The canonical SMILES for 32-carbazol-9-yl-53,58-diazatetradecacyclo[50.2.2.27,54.28,11.212,15.221,24.240,43.244,47.248,51.116,20.125,29.130,34.135,39.04,57]tetraheptaconta-1(54),2,4(57),5,7(58),8(74),9,11(73),12(72),13,15(71),16(70),17,19,21(69),22,24(68),25(67),26,28,30,32,34(66),35,37,39(65),40,42,44,46,48,50,52,55,59,61,63-heptatriacontaene;15-dibenzothiophen-4-yl-6,9,12,18,21,24-hexaoxa-15,38,41-triazahexacyclo[27.8.4.22,5.225,28.032,40.035,39]pentatetraconta-1(38),2(45),3,5(44),25(43),26,28(42),29(41),30,32(40),33,35(39),36-tridecaene;32-(9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)-53,58-diazatetradecacyclo[50.2.2.27,54.28,11.212,15.221,24.240,43.244,47.248,51.116,20.125,29.130,34.135,39.04,57]tetraheptaconta-1(54),2,4(57),5,7(58),8(74),9,11(73),12(72),13,15(71),16(70),17,19,21(69),22,24(68),25(67),26,28,30,32,34(66),35,37,39(65),40,42,44,46,48,50,52,55,59,61,63-heptatriacontaene;15-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,9,12,18,21,24-hexaoxa-15,38,41-triazahexacyclo[27.8.4.22,5.225,28.032,40.035,39]pentatetraconta-1(38),2(45),3,5(44),25(43),26,28(42),29(41),30,32(40),33,35(39),36-tridecaene;methane;22-(9-phenylcarbazol-3-yl)-52,55-diazatridecacyclo[41.8.4.22,5.211,14.230,33.239,42.16,10.115,19.120,24.125,29.134,38.046,54.049,53]octahexaconta-1(52),2(68),3,5(67),6,8,10(66),11(65),12,14(64),15(63),16,18,20(62),21,23,25,27,29(61),30,32,34(58),35,37,39,41,43(55),44,46(54),47,49(53),50,56,59-tetratriacontaene;22-(2-phenylquinazolin-6-yl)-52,55-diazatridecacyclo[41.8.4.22,5.211,14.230,33.239,42.16,10.115,19.120,24.125,29.134,38.046,54.049,53]octahexaconta-1(52),2(68),3,5(67),6,8,10(66),11(65),12,14(64),15(63),16,18,20(62),21,23,25,27,29(61),30,32,34(58),35,37,39,41,43(55),44,46(54),47,49(53),50,56,59-tetratriacontaene is C.c1cc2cc(c1)c1ccc(cc1)c1cccc(c1)c1cc(-n3c4ccccc4c4ccccc43)cc(c1)c1cccc(c1)c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)c1ccc3ccc4ccc(nc4c3n1)c1ccc(cc1)c1ccc2cc1.c1ccc(-c2nc(-c3ccccc3)nc(N3CCOCCOCCOc4ccc(cc4)-c4ccc5ccc6ccc(nc6c5n4)-c4ccc(cc4)OCCOCCOCC3)n2)cc1.c1ccc(-c2ncc3cc(-c4cc5cc(c4)-c4cccc(c4)-c4ccc(cc4)-c4cccc(c4)-c4ccc(cc4)-c4ccc6ccc7ccc(nc7c6n4)-c4ccc(cc4)-c4cccc(c4)-c4ccc(cc4)-c4cccc-5c4)ccc3n2)cc1.c1ccc(-n2c3ccccc3c3c4c5cc(-c6cc7cc(c6)c6cccc(c6)c6ccc(cc6)c6cccc(c6)c6ccc(cc6)c6ccc(cc6)c6ccc8ccc9ccc(nc9c8n6)c6ccc(cc6)c6ccc(cc6)c6ccc(cc6)c6cccc7c6)ccc5n(-c5ccccc5)c4ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cc5cc(c4)-c4cccc(c4)-c4ccc(cc4)-c4cccc(c4)-c4ccc(cc4)-c4ccc6ccc7ccc(nc7c6n4)-c4ccc(cc4)-c4cccc(c4)-c4ccc(cc4)-c4cccc-5c4)ccc32)cc1.c1ccc2c(c1)sc1c(N3CCOCCOCCOc4ccc(cc4)-c4ccc5ccc6ccc(nc6c5n4)-c4ccc(cc4)OCCOCCOCC3)cccc12.
What is the InChIKey of 32-carbazol-9-yl-53,58-diazatetradecacyclo[50.2.2.27,54.28,11.212,15.221,24.240,43.244,47.248,51.116,20.125,29.130,34.135,39.04,57]tetraheptaconta-1(54),2,4(57),5,7(58),8(74),9,11(73),12(72),13,15(71),16(70),17,19,21(69),22,24(68),25(67),26,28,30,32,34(66),35,37,39(65),40,42,44,46,48,50,52,55,59,61,63-heptatriacontaene;15-dibenzothiophen-4-yl-6,9,12,18,21,24-hexaoxa-15,38,41-triazahexacyclo[27.8.4.22,5.225,28.032,40.035,39]pentatetraconta-1(38),2(45),3,5(44),25(43),26,28(42),29(41),30,32(40),33,35(39),36-tridecaene;32-(9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)-53,58-diazatetradecacyclo[50.2.2.27,54.28,11.212,15.221,24.240,43.244,47.248,51.116,20.125,29.130,34.135,39.04,57]tetraheptaconta-1(54),2,4(57),5,7(58),8(74),9,11(73),12(72),13,15(71),16(70),17,19,21(69),22,24(68),25(67),26,28,30,32,34(66),35,37,39(65),40,42,44,46,48,50,52,55,59,61,63-heptatriacontaene;15-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,9,12,18,21,24-hexaoxa-15,38,41-triazahexacyclo[27.8.4.22,5.225,28.032,40.035,39]pentatetraconta-1(38),2(45),3,5(44),25(43),26,28(42),29(41),30,32(40),33,35(39),36-tridecaene;methane;22-(9-phenylcarbazol-3-yl)-52,55-diazatridecacyclo[41.8.4.22,5.211,14.230,33.239,42.16,10.115,19.120,24.125,29.134,38.046,54.049,53]octahexaconta-1(52),2(68),3,5(67),6,8,10(66),11(65),12,14(64),15(63),16,18,20(62),21,23,25,27,29(61),30,32,34(58),35,37,39,41,43(55),44,46(54),47,49(53),50,56,59-tetratriacontaene;22-(2-phenylquinazolin-6-yl)-52,55-diazatridecacyclo[41.8.4.22,5.211,14.230,33.239,42.16,10.115,19.120,24.125,29.134,38.046,54.049,53]octahexaconta-1(52),2(68),3,5(67),6,8,10(66),11(65),12,14(64),15(63),16,18,20(62),21,23,25,27,29(61),30,32,34(58),35,37,39,41,43(55),44,46(54),47,49(53),50,56,59-tetratriacontaene?
The InChIKey is JCASPMCUQNYURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C102H64N4.2C84H53N3.C80H50N4.C51H48N6O6.C48H45N3O6S.CH4/c1-3-18-89(19-4-1)105-95-23-8-7-22-91(95)99-97(105)56-57-98-100(99)92-64-85(52-55-96(92)106(98)90-20-5-2-6-21-90)88-62-86-61-87(63-88)84-17-11-15-82(60-84)74-38-36-73(37-39-74)80-13-9-12-79(58-80)71-32-30-68(31-33-71)70-42-46-76(47-43-70)94-54-51-78-49-48-77-50-53-93(103-101(77)102(78)104-94)75-44-40-69(41-45-75)66-26-24-65(25-27-66)67-28-34-72(35-29-67)81-14-10-16-83(86)59-81;1-3-16-81-77(14-1)78-15-2-4-17-82(78)87(81)76-52-74-51-75(53-76)73-13-7-11-71(50-73)63-32-30-62(31-33-63)69-9-5-8-68(48-69)60-26-24-57(25-27-60)59-36-40-65(41-37-59)80-47-45-67-43-42-66-44-46-79(85-83(66)84(67)86-80)64-38-34-58(35-39-64)55-20-18-54(19-21-55)56-22-28-61(29-23-56)70-10-6-12-72(74)49-70;1-2-18-76(19-3-1)87-81-21-5-4-20-77(81)78-53-72(42-45-82(78)87)75-51-73-50-74(52-75)71-17-9-15-69(49-71)57-28-24-55(25-29-57)65-11-7-13-67(47-65)59-32-36-61(37-33-59)80-44-41-63-39-38-62-40-43-79(85-83(62)84(63)86-80)60-34-30-58(31-35-60)66-12-6-10-64(46-66)54-22-26-56(27-23-54)68-14-8-16-70(73)48-68;1-2-8-61(9-3-1)80-81-50-74-46-70(38-41-77(74)84-80)73-48-71-47-72(49-73)69-17-7-15-67(45-69)54-24-20-52(21-25-54)63-11-5-13-65(43-63)56-28-32-58(33-29-56)76-40-37-60-35-34-59-36-39-75(82-78(59)79(60)83-76)57-30-26-55(27-31-57)64-12-4-10-62(42-64)51-18-22-53(23-19-51)66-14-6-16-68(71)44-66;1-3-7-41(8-4-1)49-54-50(42-9-5-2-6-10-42)56-51(55-49)57-25-27-58-29-31-60-33-35-62-43-19-13-37(14-20-43)45-23-17-39-11-12-40-18-24-46(53-48(40)47(39)52-45)38-15-21-44(22-16-38)63-36-34-61-32-30-59-28-26-57;1-2-7-45-40(4-1)41-5-3-6-44(48(41)58-45)51-22-24-52-26-28-54-30-32-56-38-16-10-34(11-17-38)42-20-14-36-8-9-37-15-21-43(50-47(37)46(36)49-42)35-12-18-39(19-13-35)57-33-31-55-29-27-53-25-23-51;/h1-64H;2*1-53H;1-50H;1-24H,25-36H2;1-21H,22-33H2;1H4.
What are the key properties of 32-carbazol-9-yl-53,58-diazatetradecacyclo[50.2.2.27,54.28,11.212,15.221,24.240,43.244,47.248,51.116,20.125,29.130,34.135,39.04,57]tetraheptaconta-1(54),2,4(57),5,7(58),8(74),9,11(73),12(72),13,15(71),16(70),17,19,21(69),22,24(68),25(67),26,28,30,32,34(66),35,37,39(65),40,42,44,46,48,50,52,55,59,61,63-heptatriacontaene;15-dibenzothiophen-4-yl-6,9,12,18,21,24-hexaoxa-15,38,41-triazahexacyclo[27.8.4.22,5.225,28.032,40.035,39]pentatetraconta-1(38),2(45),3,5(44),25(43),26,28(42),29(41),30,32(40),33,35(39),36-tridecaene;32-(9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)-53,58-diazatetradecacyclo[50.2.2.27,54.28,11.212,15.221,24.240,43.244,47.248,51.116,20.125,29.130,34.135,39.04,57]tetraheptaconta-1(54),2,4(57),5,7(58),8(74),9,11(73),12(72),13,15(71),16(70),17,19,21(69),22,24(68),25(67),26,28,30,32,34(66),35,37,39(65),40,42,44,46,48,50,52,55,59,61,63-heptatriacontaene;15-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,9,12,18,21,24-hexaoxa-15,38,41-triazahexacyclo[27.8.4.22,5.225,28.032,40.035,39]pentatetraconta-1(38),2(45),3,5(44),25(43),26,28(42),29(41),30,32(40),33,35(39),36-tridecaene;methane;22-(9-phenylcarbazol-3-yl)-52,55-diazatridecacyclo[41.8.4.22,5.211,14.230,33.239,42.16,10.115,19.120,24.125,29.134,38.046,54.049,53]octahexaconta-1(52),2(68),3,5(67),6,8,10(66),11(65),12,14(64),15(63),16,18,20(62),21,23,25,27,29(61),30,32,34(58),35,37,39,41,43(55),44,46(54),47,49(53),50,56,59-tetratriacontaene;22-(2-phenylquinazolin-6-yl)-52,55-diazatridecacyclo[41.8.4.22,5.211,14.230,33.239,42.16,10.115,19.120,24.125,29.134,38.046,54.049,53]octahexaconta-1(52),2(68),3,5(67),6,8,10(66),11(65),12,14(64),15(63),16,18,20(62),21,23,25,27,29(61),30,32,34(58),35,37,39,41,43(55),44,46(54),47,49(53),50,56,59-tetratriacontaene?
32-carbazol-9-yl-53,58-diazatetradecacyclo[50.2.2.27,54.28,11.212,15.221,24.240,43.244,47.248,51.116,20.125,29.130,34.135,39.04,57]tetraheptaconta-1(54),2,4(57),5,7(58),8(74),9,11(73),12(72),13,15(71),16(70),17,19,21(69),22,24(68),25(67),26,28,30,32,34(66),35,37,39(65),40,42,44,46,48,50,52,55,59,61,63-heptatriacontaene;15-dibenzothiophen-4-yl-6,9,12,18,21,24-hexaoxa-15,38,41-triazahexacyclo[27.8.4.22,5.225,28.032,40.035,39]pentatetraconta-1(38),2(45),3,5(44),25(43),26,28(42),29(41),30,32(40),33,35(39),36-tridecaene;32-(9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)-53,58-diazatetradecacyclo[50.2.2.27,54.28,11.212,15.221,24.240,43.244,47.248,51.116,20.125,29.130,34.135,39.04,57]tetraheptaconta-1(54),2,4(57),5,7(58),8(74),9,11(73),12(72),13,15(71),16(70),17,19,21(69),22,24(68),25(67),26,28,30,32,34(66),35,37,39(65),40,42,44,46,48,50,52,55,59,61,63-heptatriacontaene;15-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,9,12,18,21,24-hexaoxa-15,38,41-triazahexacyclo[27.8.4.22,5.225,28.032,40.035,39]pentatetraconta-1(38),2(45),3,5(44),25(43),26,28(42),29(41),30,32(40),33,35(39),36-tridecaene;methane;22-(9-phenylcarbazol-3-yl)-52,55-diazatridecacyclo[41.8.4.22,5.211,14.230,33.239,42.16,10.115,19.120,24.125,29.134,38.046,54.049,53]octahexaconta-1(52),2(68),3,5(67),6,8,10(66),11(65),12,14(64),15(63),16,18,20(62),21,23,25,27,29(61),30,32,34(58),35,37,39,41,43(55),44,46(54),47,49(53),50,56,59-tetratriacontaene;22-(2-phenylquinazolin-6-yl)-52,55-diazatridecacyclo[41.8.4.22,5.211,14.230,33.239,42.16,10.115,19.120,24.125,29.134,38.046,54.049,53]octahexaconta-1(52),2(68),3,5(67),6,8,10(66),11(65),12,14(64),15(63),16,18,20(62),21,23,25,27,29(61),30,32,34(58),35,37,39,41,43(55),44,46(54),47,49(53),50,56,59-tetratriacontaene has a molecular weight of 6270.70 g/mol, XLogP of 113.91, 12 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 32-carbazol-9-yl-53,58-diazatetradecacyclo[50.2.2.27,54.28,11.212,15.221,24.240,43.244,47.248,51.116,20.125,29.130,34.135,39.04,57]tetraheptaconta-1(54),2,4(57),5,7(58),8(74),9,11(73),12(72),13,15(71),16(70),17,19,21(69),22,24(68),25(67),26,28,30,32,34(66),35,37,39(65),40,42,44,46,48,50,52,55,59,61,63-heptatriacontaene;15-dibenzothiophen-4-yl-6,9,12,18,21,24-hexaoxa-15,38,41-triazahexacyclo[27.8.4.22,5.225,28.032,40.035,39]pentatetraconta-1(38),2(45),3,5(44),25(43),26,28(42),29(41),30,32(40),33,35(39),36-tridecaene;32-(9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)-53,58-diazatetradecacyclo[50.2.2.27,54.28,11.212,15.221,24.240,43.244,47.248,51.116,20.125,29.130,34.135,39.04,57]tetraheptaconta-1(54),2,4(57),5,7(58),8(74),9,11(73),12(72),13,15(71),16(70),17,19,21(69),22,24(68),25(67),26,28,30,32,34(66),35,37,39(65),40,42,44,46,48,50,52,55,59,61,63-heptatriacontaene;15-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,9,12,18,21,24-hexaoxa-15,38,41-triazahexacyclo[27.8.4.22,5.225,28.032,40.035,39]pentatetraconta-1(38),2(45),3,5(44),25(43),26,28(42),29(41),30,32(40),33,35(39),36-tridecaene;methane;22-(9-phenylcarbazol-3-yl)-52,55-diazatridecacyclo[41.8.4.22,5.211,14.230,33.239,42.16,10.115,19.120,24.125,29.134,38.046,54.049,53]octahexaconta-1(52),2(68),3,5(67),6,8,10(66),11(65),12,14(64),15(63),16,18,20(62),21,23,25,27,29(61),30,32,34(58),35,37,39,41,43(55),44,46(54),47,49(53),50,56,59-tetratriacontaene;22-(2-phenylquinazolin-6-yl)-52,55-diazatridecacyclo[41.8.4.22,5.211,14.230,33.239,42.16,10.115,19.120,24.125,29.134,38.046,54.049,53]octahexaconta-1(52),2(68),3,5(67),6,8,10(66),11(65),12,14(64),15(63),16,18,20(62),21,23,25,27,29(61),30,32,34(58),35,37,39,41,43(55),44,46(54),47,49(53),50,56,59-tetratriacontaene is sourced from PubChem (CID 158872691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).