decacyclo[18.18.0.02,17.04,16.06,14.08,12.021,36.023,35.025,33.027,31]octatriaconta-1(20),2(17),4,6,8(12),9,13,15,18,21(36),23,25,27(31),28,32,34,37-heptadecaene;decacyclo[18.18.0.02,17.04,16.06,14.08,12.021,36.023,35.025,33.027,31]octatriaconta-1(20),2(17),4,6,8(12),10,13,15,18,21(36),23,25,27(31),29,32,34,37-heptadecaene;decacyclo[18.18.0.02,18.04,16.06,14.08,12.021,37.023,35.025,33.027,31]octatriaconta-1(20),2(18),3,5,7,9,12,14,16,21(37),22,24,26,28,31,33,35-heptadecaene;nonacyclo[18.14.0.03,18.04,16.06,14.08,12.021,33.023,31.025,29]tetratriaconta-1,3(18),4,6,8(12),9,13,15,19,21,23,25(29),26,30,32-pentadecaene;nonacyclo[18.14.0.03,18.04,16.06,14.08,12.021,33.023,31.025,29]tetratriaconta-1,3(18),4,6,8(12),10,13,15,19,21,23,25(29),27,30,32-pentadecaene;octacyclo[14.14.0.02,13.04,12.06,10.017,28.019,27.021,25]triaconta-1(16),2(13),4(12),5,7,10,14,17(28),19(27),20,22,25,29-tridecaene;octacyclo[14.14.0.02,13.04,12.06,10.017,28.019,27.021,25]triaconta-1(16),2(13),4(12),5,8,10,14,17(28),19(27),20,23,25,29-tridecaene;undecacyclo[22.18.0.03,22.04,20.06,18.08,16.010,14.025,41.027,39.029,37.031,35]dotetraconta-1,3(22),4(20),5,7,9,11,14,16,18,23,25(41),26,28,30,32,35,37,39-nonadecaene;undecacyclo[22.18.0.03,22.04,20.06,18.08,16.010,14.025,41.027,39.029,37.031,35]dotetraconta-1,3(22),4(20),5,7,9,12,14,16,18,23,25(41),26,28,30,33,35,37,39-nonadecaene

C326H208 — CID 161386072

IUPACdecacyclo[18.18.0.02,17.04,16.06,14.08,12.021,36.023,35.025,33.027,31]octatriaconta-1(20),2(17),4,6,8(12),9,13,15,18,21(36),23,25,27(31),28,32,34,37-heptadecaene;decacyclo[18.18.0.02,17.04,16.06,14.08,12.021,36.023,35.025,33.027,31]octatriaconta-1(20),2(17),4,6,8(12),10,13,15,18,21(36),23,25,27(31),29,32,34,37-heptadecaene;decacyclo[18.18.0.02,18.04,16.06,14.08,12.021,37.023,35.025,33.027,31]octatriaconta-1(20),2(18),3,5,7,9,12,14,16,21(37),22,24,26,28,31,33,35-heptadecaene;nonacyclo[18.14.0.03,18.04,16.06,14.08,12.021,33.023,31.025,29]tetratriaconta-1,3(18),4,6,8(12),9,13,15,19,21,23,25(29),26,30,32-pentadecaene;nonacyclo[18.14.0.03,18.04,16.06,14.08,12.021,33.023,31.025,29]tetratriaconta-1,3(18),4,6,8(12),10,13,15,19,21,23,25(29),27,30,32-pentadecaene;octacyclo[14.14.0.02,13.04,12.06,10.017,28.019,27.021,25]triaconta-1(16),2(13),4(12),5,7,10,14,17(28),19(27),20,22,25,29-tridecaene;octacyclo[14.14.0.02,13.04,12.06,10.017,28.019,27.021,25]triaconta-1(16),2(13),4(12),5,8,10,14,17(28),19(27),20,23,25,29-tridecaene;undecacyclo[22.18.0.03,22.04,20.06,18.08,16.010,14.025,41.027,39.029,37.031,35]dotetraconta-1,3(22),4(20),5,7,9,11,14,16,18,23,25(41),26,28,30,32,35,37,39-nonadecaene;undecacyclo[22.18.0.03,22.04,20.06,18.08,16.010,14.025,41.027,39.029,37.031,35]dotetraconta-1,3(22),4(20),5,7,9,12,14,16,18,23,25(41),26,28,30,33,35,37,39-nonadecaene
SMILESC1=Cc2cc3c(cc2C1)-c1ccc2c4c(ccc2c1C3)-c1cc2c(cc1C4)C=CC2.C1=Cc2cc3c(cc2C1)Cc1c-3ccc2c3c(ccc12)-c1cc2c(cc1C3)CC=C2.C1=Cc2cc3cc4c(cc3cc2C1)-c1cc2c(cc1C4)-c1cc3cc4c(cc3cc1C2)C=CC4.C1=Cc2cc3cc4c(cc3cc2C1)-c1ccc2c3c(ccc2c1C4)-c1cc2cc4c(cc2cc1C3)C=CC4.C1=Cc2cc3cc4c(cc3cc2C1)Cc1c-4ccc2c3c(ccc12)-c1cc2cc4c(cc2cc1C3)CC=C4.C1=Cc2cc3cc4c(cc3cc2C1)Cc1cc2c(cc1-4)Cc1cc3cc4c(cc3cc1-2)C=CC4.C1=Cc2cc3cc4cc5c(cc4cc3cc2C1)-c1cc2c(cc1C5)-c1cc3cc4cc5c(cc4cc3cc1C2)C=CC5.C1=Cc2cc3cc4cc5c(cc4cc3cc2C1)CC1=C5Cc2cc3cc4cc5c(cc4cc3cc21)C=CC5.C1=Cc2cc3cc4cc5c(cc4cc3cc2C1)Cc1cc2c(cc1-5)Cc1cc3cc4cc5c(cc4cc3cc1-2)C=CC5
InChIInChI=1S/2C42H26.3C38H24.2C34H22.2C30H20/c2*1-3-23-7-27-11-31-15-35-17-37-22-42-38(21-41(37)39(35)19-33(31)13-29(27)9-25(23)5-1)18-36-16-32-12-28-8-24-4-2-6-26(24)10-30(28)14-34(32)20-40(36)42;1-3-21-7-25-11-29-15-33-19-38-36-18-32-14-28-10-24-6-2-4-22(24)8-26(28)12-30(32)16-34(36)20-37(38)35(33)17-31(29)13-27(25)9-23(21)5-1;2*1-3-21-11-25-15-29-19-37-31-8-10-34-36-18-28-14-24-6-2-4-22(24)12-26(28)16-30(36)20-38(34)32(31)7-9-33(37)35(29)17-27(25)13-23(21)5-1;2*1-3-19-7-23-11-27-13-29-18-34-30(17-33(29)31(27)15-25(23)9-21(19)5-1)14-28-12-24-8-20-4-2-6-22(20)10-26(24)16-32(28)34;2*1-3-17-11-21-15-29-23-8-10-26-28-14-20-6-2-4-18(20)12-22(28)16-30(26)24(23)7-9-25(29)27(21)13-19(17)5-1/h1-2,5-16,19-22H,3-4,17-18H2;1-4,7-16,19-22H,5-6,17-18H2;2*1-2,5-18H,3-4,19-20H2;1-4,7-18H,5-6,19-20H2;1-2,5-12,15-18H,3-4,13-14H2;1-4,7-12,15-18H,5-6,13-14H2;1-2,5-14H,3-4,15-16H2;1-4,7-14H,5-6,15-16H2
InChIKeyVSJCUZVLPFSDEN-UHFFFAOYSA-N
MW4125.25 g/mol
LogP80.27
Rot. Bonds

About decacyclo[18.18.0.02,17.04,16.06,14.08,12.021,36.023,35.025,33.027,31]octatriaconta-1(20),2(17),4,6,8(12),9,13,15,18,21(36),23,25,27(31),28,32,34,37-heptadecaene;decacyclo[18.18.0.02,17.04,16.06,14.08,12.021,36.023,35.025,33.027,31]octatriaconta-1(20),2(17),4,6,8(12),10,13,15,18,21(36),23,25,27(31),29,32,34,37-heptadecaene;decacyclo[18.18.0.02,18.04,16.06,14.08,12.021,37.023,35.025,33.027,31]octatriaconta-1(20),2(18),3,5,7,9,12,14,16,21(37),22,24,26,28,31,33,35-heptadecaene;nonacyclo[18.14.0.03,18.04,16.06,14.08,12.021,33.023,31.025,29]tetratriaconta-1,3(18),4,6,8(12),9,13,15,19,21,23,25(29),26,30,32-pentadecaene;nonacyclo[18.14.0.03,18.04,16.06,14.08,12.021,33.023,31.025,29]tetratriaconta-1,3(18),4,6,8(12),10,13,15,19,21,23,25(29),27,30,32-pentadecaene;octacyclo[14.14.0.02,13.04,12.06,10.017,28.019,27.021,25]triaconta-1(16),2(13),4(12),5,7,10,14,17(28),19(27),20,22,25,29-tridecaene;octacyclo[14.14.0.02,13.04,12.06,10.017,28.019,27.021,25]triaconta-1(16),2(13),4(12),5,8,10,14,17(28),19(27),20,23,25,29-tridecaene;undecacyclo[22.18.0.03,22.04,20.06,18.08,16.010,14.025,41.027,39.029,37.031,35]dotetraconta-1,3(22),4(20),5,7,9,11,14,16,18,23,25(41),26,28,30,32,35,37,39-nonadecaene;undecacyclo[22.18.0.03,22.04,20.06,18.08,16.010,14.025,41.027,39.029,37.031,35]dotetraconta-1,3(22),4(20),5,7,9,12,14,16,18,23,25(41),26,28,30,33,35,37,39-nonadecaene

decacyclo[18.18.0.02,17.04,16.06,14.08,12.021,36.023,35.025,33.027,31]octatriaconta-1(20),2(17),4,6,8(12),9,13,15,18,21(36),23,25,27(31),28,32,34,37-heptadecaene;decacyclo[18.18.0.02,17.04,16.06,14.08,12.021,36.023,35.025,33.027,31]octatriaconta-1(20),2(17),4,6,8(12),10,13,15,18,21(36),23,25,27(31),29,32,34,37-heptadecaene;decacyclo[18.18.0.02,18.04,16.06,14.08,12.021,37.023,35.025,33.027,31]octatriaconta-1(20),2(18),3,5,7,9,12,14,16,21(37),22,24,26,28,31,33,35-heptadecaene;nonacyclo[18.14.0.03,18.04,16.06,14.08,12.021,33.023,31.025,29]tetratriaconta-1,3(18),4,6,8(12),9,13,15,19,21,23,25(29),26,30,32-pentadecaene;nonacyclo[18.14.0.03,18.04,16.06,14.08,12.021,33.023,31.025,29]tetratriaconta-1,3(18),4,6,8(12),10,13,15,19,21,23,25(29),27,30,32-pentadecaene;octacyclo[14.14.0.02,13.04,12.06,10.017,28.019,27.021,25]triaconta-1(16),2(13),4(12),5,7,10,14,17(28),19(27),20,22,25,29-tridecaene;octacyclo[14.14.0.02,13.04,12.06,10.017,28.019,27.021,25]triaconta-1(16),2(13),4(12),5,8,10,14,17(28),19(27),20,23,25,29-tridecaene;undecacyclo[22.18.0.03,22.04,20.06,18.08,16.010,14.025,41.027,39.029,37.031,35]dotetraconta-1,3(22),4(20),5,7,9,11,14,16,18,23,25(41),26,28,30,32,35,37,39-nonadecaene;undecacyclo[22.18.0.03,22.04,20.06,18.08,16.010,14.025,41.027,39.029,37.031,35]dotetraconta-1,3(22),4(20),5,7,9,12,14,16,18,23,25(41),26,28,30,33,35,37,39-nonadecaene (PubChem CID 161386072) has the molecular formula C326H208 and a molecular weight of 4125.25 g/mol. Its IUPAC name is decacyclo[18.18.0.02,17.04,16.06,14.08,12.021,36.023,35.025,33.027,31]octatriaconta-1(20),2(17),4,6,8(12),9,13,15,18,21(36),23,25,27(31),28,32,34,37-heptadecaene;decacyclo[18.18.0.02,17.04,16.06,14.08,12.021,36.023,35.025,33.027,31]octatriaconta-1(20),2(17),4,6,8(12),10,13,15,18,21(36),23,25,27(31),29,32,34,37-heptadecaene;decacyclo[18.18.0.02,18.04,16.06,14.08,12.021,37.023,35.025,33.027,31]octatriaconta-1(20),2(18),3,5,7,9,12,14,16,21(37),22,24,26,28,31,33,35-heptadecaene;nonacyclo[18.14.0.03,18.04,16.06,14.08,12.021,33.023,31.025,29]tetratriaconta-1,3(18),4,6,8(12),9,13,15,19,21,23,25(29),26,30,32-pentadecaene;nonacyclo[18.14.0.03,18.04,16.06,14.08,12.021,33.023,31.025,29]tetratriaconta-1,3(18),4,6,8(12),10,13,15,19,21,23,25(29),27,30,32-pentadecaene;octacyclo[14.14.0.02,13.04,12.06,10.017,28.019,27.021,25]triaconta-1(16),2(13),4(12),5,7,10,14,17(28),19(27),20,22,25,29-tridecaene;octacyclo[14.14.0.02,13.04,12.06,10.017,28.019,27.021,25]triaconta-1(16),2(13),4(12),5,8,10,14,17(28),19(27),20,23,25,29-tridecaene;undecacyclo[22.18.0.03,22.04,20.06,18.08,16.010,14.025,41.027,39.029,37.031,35]dotetraconta-1,3(22),4(20),5,7,9,11,14,16,18,23,25(41),26,28,30,32,35,37,39-nonadecaene;undecacyclo[22.18.0.03,22.04,20.06,18.08,16.010,14.025,41.027,39.029,37.031,35]dotetraconta-1,3(22),4(20),5,7,9,12,14,16,18,23,25(41),26,28,30,33,35,37,39-nonadecaene.

Molecular Properties

Compound Namedecacyclo[18.18.0.02,17.04,16.06,14.08,12.021,36.023,35.025,33.027,31]octatriaconta-1(20),2(17),4,6,8(12),9,13,15,18,21(36),23,25,27(31),28,32,34,37-heptadecaene;decacyclo[18.18.0.02,17.04,16.06,14.08,12.021,36.023,35.025,33.027,31]octatriaconta-1(20),2(17),4,6,8(12),10,13,15,18,21(36),23,25,27(31),29,32,34,37-heptadecaene;decacyclo[18.18.0.02,18.04,16.06,14.08,12.021,37.023,35.025,33.027,31]octatriaconta-1(20),2(18),3,5,7,9,12,14,16,21(37),22,24,26,28,31,33,35-heptadecaene;nonacyclo[18.14.0.03,18.04,16.06,14.08,12.021,33.023,31.025,29]tetratriaconta-1,3(18),4,6,8(12),9,13,15,19,21,23,25(29),26,30,32-pentadecaene;nonacyclo[18.14.0.03,18.04,16.06,14.08,12.021,33.023,31.025,29]tetratriaconta-1,3(18),4,6,8(12),10,13,15,19,21,23,25(29),27,30,32-pentadecaene;octacyclo[14.14.0.02,13.04,12.06,10.017,28.019,27.021,25]triaconta-1(16),2(13),4(12),5,7,10,14,17(28),19(27),20,22,25,29-tridecaene;octacyclo[14.14.0.02,13.04,12.06,10.017,28.019,27.021,25]triaconta-1(16),2(13),4(12),5,8,10,14,17(28),19(27),20,23,25,29-tridecaene;undecacyclo[22.18.0.03,22.04,20.06,18.08,16.010,14.025,41.027,39.029,37.031,35]dotetraconta-1,3(22),4(20),5,7,9,11,14,16,18,23,25(41),26,28,30,32,35,37,39-nonadecaene;undecacyclo[22.18.0.03,22.04,20.06,18.08,16.010,14.025,41.027,39.029,37.031,35]dotetraconta-1,3(22),4(20),5,7,9,12,14,16,18,23,25(41),26,28,30,33,35,37,39-nonadecaene
PubChem CID161386072
Molecular FormulaC326H208
Molecular Weight4125.25 g/mol
Exact Mass4121.63
IUPAC Namedecacyclo[18.18.0.02,17.04,16.06,14.08,12.021,36.023,35.025,33.027,31]octatriaconta-1(20),2(17),4,6,8(12),9,13,15,18,21(36),23,25,27(31),28,32,34,37-heptadecaene;decacyclo[18.18.0.02,17.04,16.06,14.08,12.021,36.023,35.025,33.027,31]octatriaconta-1(20),2(17),4,6,8(12),10,13,15,18,21(36),23,25,27(31),29,32,34,37-heptadecaene;decacyclo[18.18.0.02,18.04,16.06,14.08,12.021,37.023,35.025,33.027,31]octatriaconta-1(20),2(18),3,5,7,9,12,14,16,21(37),22,24,26,28,31,33,35-heptadecaene;nonacyclo[18.14.0.03,18.04,16.06,14.08,12.021,33.023,31.025,29]tetratriaconta-1,3(18),4,6,8(12),9,13,15,19,21,23,25(29),26,30,32-pentadecaene;nonacyclo[18.14.0.03,18.04,16.06,14.08,12.021,33.023,31.025,29]tetratriaconta-1,3(18),4,6,8(12),10,13,15,19,21,23,25(29),27,30,32-pentadecaene;octacyclo[14.14.0.02,13.04,12.06,10.017,28.019,27.021,25]triaconta-1(16),2(13),4(12),5,7,10,14,17(28),19(27),20,22,25,29-tridecaene;octacyclo[14.14.0.02,13.04,12.06,10.017,28.019,27.021,25]triaconta-1(16),2(13),4(12),5,8,10,14,17(28),19(27),20,23,25,29-tridecaene;undecacyclo[22.18.0.03,22.04,20.06,18.08,16.010,14.025,41.027,39.029,37.031,35]dotetraconta-1,3(22),4(20),5,7,9,11,14,16,18,23,25(41),26,28,30,32,35,37,39-nonadecaene;undecacyclo[22.18.0.03,22.04,20.06,18.08,16.010,14.025,41.027,39.029,37.031,35]dotetraconta-1,3(22),4(20),5,7,9,12,14,16,18,23,25(41),26,28,30,33,35,37,39-nonadecaene
SMILESC1=Cc2cc3c(cc2C1)-c1ccc2c4c(ccc2c1C3)-c1cc2c(cc1C4)C=CC2.C1=Cc2cc3c(cc2C1)Cc1c-3ccc2c3c(ccc12)-c1cc2c(cc1C3)CC=C2.C1=Cc2cc3cc4c(cc3cc2C1)-c1cc2c(cc1C4)-c1cc3cc4c(cc3cc1C2)C=CC4.C1=Cc2cc3cc4c(cc3cc2C1)-c1ccc2c3c(ccc2c1C4)-c1cc2cc4c(cc2cc1C3)C=CC4.C1=Cc2cc3cc4c(cc3cc2C1)Cc1c-4ccc2c3c(ccc12)-c1cc2cc4c(cc2cc1C3)CC=C4.C1=Cc2cc3cc4c(cc3cc2C1)Cc1cc2c(cc1-4)Cc1cc3cc4c(cc3cc1-2)C=CC4.C1=Cc2cc3cc4cc5c(cc4cc3cc2C1)-c1cc2c(cc1C5)-c1cc3cc4cc5c(cc4cc3cc1C2)C=CC5.C1=Cc2cc3cc4cc5c(cc4cc3cc2C1)CC1=C5Cc2cc3cc4cc5c(cc4cc3cc21)C=CC5.C1=Cc2cc3cc4cc5c(cc4cc3cc2C1)Cc1cc2c(cc1-5)Cc1cc3cc4cc5c(cc4cc3cc1-2)C=CC5
InChIInChI=1S/2C42H26.3C38H24.2C34H22.2C30H20/c2*1-3-23-7-27-11-31-15-35-17-37-22-42-38(21-41(37)39(35)19-33(31)13-29(27)9-25(23)5-1)18-36-16-32-12-28-8-24-4-2-6-26(24)10-30(28)14-34(32)20-40(36)42;1-3-21-7-25-11-29-15-33-19-38-36-18-32-14-28-10-24-6-2-4-22(24)8-26(28)12-30(32)16-34(36)20-37(38)35(33)17-31(29)13-27(25)9-23(21)5-1;2*1-3-21-11-25-15-29-19-37-31-8-10-34-36-18-28-14-24-6-2-4-22(24)12-26(28)16-30(36)20-38(34)32(31)7-9-33(37)35(29)17-27(25)13-23(21)5-1;2*1-3-19-7-23-11-27-13-29-18-34-30(17-33(29)31(27)15-25(23)9-21(19)5-1)14-28-12-24-8-20-4-2-6-22(20)10-26(24)16-32(28)34;2*1-3-17-11-21-15-29-23-8-10-26-28-14-20-6-2-4-18(20)12-22(28)16-30(26)24(23)7-9-25(29)27(21)13-19(17)5-1/h1-2,5-16,19-22H,3-4,17-18H2;1-4,7-16,19-22H,5-6,17-18H2;2*1-2,5-18H,3-4,19-20H2;1-4,7-18H,5-6,19-20H2;1-2,5-12,15-18H,3-4,13-14H2;1-4,7-12,15-18H,5-6,13-14H2;1-2,5-14H,3-4,15-16H2;1-4,7-14H,5-6,15-16H2
InChIKeyVSJCUZVLPFSDEN-UHFFFAOYSA-N
XLogP80.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms326
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5004125.25
LogP ≤ 580.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze decacyclo[18.18.0.02,17.04,16.06,14.08,12.021,36.023,35.025,33.027,31]octatriaconta-1(20),2(17),4,6,8(12),9,13,15,18,21(36),23,25,27(31),28,32,34,37-heptadecaene;decacyclo[18.18.0.02,17.04,16.06,14.08,12.021,36.023,35.025,33.027,31]octatriaconta-1(20),2(17),4,6,8(12),10,13,15,18,21(36),23,25,27(31),29,32,34,37-heptadecaene;decacyclo[18.18.0.02,18.04,16.06,14.08,12.021,37.023,35.025,33.027,31]octatriaconta-1(20),2(18),3,5,7,9,12,14,16,21(37),22,24,26,28,31,33,35-heptadecaene;nonacyclo[18.14.0.03,18.04,16.06,14.08,12.021,33.023,31.025,29]tetratriaconta-1,3(18),4,6,8(12),9,13,15,19,21,23,25(29),26,30,32-pentadecaene;nonacyclo[18.14.0.03,18.04,16.06,14.08,12.021,33.023,31.025,29]tetratriaconta-1,3(18),4,6,8(12),10,13,15,19,21,23,25(29),27,30,32-pentadecaene;octacyclo[14.14.0.02,13.04,12.06,10.017,28.019,27.021,25]triaconta-1(16),2(13),4(12),5,7,10,14,17(28),19(27),20,22,25,29-tridecaene;octacyclo[14.14.0.02,13.04,12.06,10.017,28.019,27.021,25]triaconta-1(16),2(13),4(12),5,8,10,14,17(28),19(27),20,23,25,29-tridecaene;undecacyclo[22.18.0.03,22.04,20.06,18.08,16.010,14.025,41.027,39.029,37.031,35]dotetraconta-1,3(22),4(20),5,7,9,11,14,16,18,23,25(41),26,28,30,32,35,37,39-nonadecaene;undecacyclo[22.18.0.03,22.04,20.06,18.08,16.010,14.025,41.027,39.029,37.031,35]dotetraconta-1,3(22),4(20),5,7,9,12,14,16,18,23,25(41),26,28,30,33,35,37,39-nonadecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of decacyclo[18.18.0.02,17.04,16.06,14.08,12.021,36.023,35.025,33.027,31]octatriaconta-1(20),2(17),4,6,8(12),9,13,15,18,21(36),23,25,27(31),28,32,34,37-heptadecaene;decacyclo[18.18.0.02,17.04,16.06,14.08,12.021,36.023,35.025,33.027,31]octatriaconta-1(20),2(17),4,6,8(12),10,13,15,18,21(36),23,25,27(31),29,32,34,37-heptadecaene;decacyclo[18.18.0.02,18.04,16.06,14.08,12.021,37.023,35.025,33.027,31]octatriaconta-1(20),2(18),3,5,7,9,12,14,16,21(37),22,24,26,28,31,33,35-heptadecaene;nonacyclo[18.14.0.03,18.04,16.06,14.08,12.021,33.023,31.025,29]tetratriaconta-1,3(18),4,6,8(12),9,13,15,19,21,23,25(29),26,30,32-pentadecaene;nonacyclo[18.14.0.03,18.04,16.06,14.08,12.021,33.023,31.025,29]tetratriaconta-1,3(18),4,6,8(12),10,13,15,19,21,23,25(29),27,30,32-pentadecaene;octacyclo[14.14.0.02,13.04,12.06,10.017,28.019,27.021,25]triaconta-1(16),2(13),4(12),5,7,10,14,17(28),19(27),20,22,25,29-tridecaene;octacyclo[14.14.0.02,13.04,12.06,10.017,28.019,27.021,25]triaconta-1(16),2(13),4(12),5,8,10,14,17(28),19(27),20,23,25,29-tridecaene;undecacyclo[22.18.0.03,22.04,20.06,18.08,16.010,14.025,41.027,39.029,37.031,35]dotetraconta-1,3(22),4(20),5,7,9,11,14,16,18,23,25(41),26,28,30,32,35,37,39-nonadecaene;undecacyclo[22.18.0.03,22.04,20.06,18.08,16.010,14.025,41.027,39.029,37.031,35]dotetraconta-1,3(22),4(20),5,7,9,12,14,16,18,23,25(41),26,28,30,33,35,37,39-nonadecaene?
The IUPAC name of decacyclo[18.18.0.02,17.04,16.06,14.08,12.021,36.023,35.025,33.027,31]octatriaconta-1(20),2(17),4,6,8(12),9,13,15,18,21(36),23,25,27(31),28,32,34,37-heptadecaene;decacyclo[18.18.0.02,17.04,16.06,14.08,12.021,36.023,35.025,33.027,31]octatriaconta-1(20),2(17),4,6,8(12),10,13,15,18,21(36),23,25,27(31),29,32,34,37-heptadecaene;decacyclo[18.18.0.02,18.04,16.06,14.08,12.021,37.023,35.025,33.027,31]octatriaconta-1(20),2(18),3,5,7,9,12,14,16,21(37),22,24,26,28,31,33,35-heptadecaene;nonacyclo[18.14.0.03,18.04,16.06,14.08,12.021,33.023,31.025,29]tetratriaconta-1,3(18),4,6,8(12),9,13,15,19,21,23,25(29),26,30,32-pentadecaene;nonacyclo[18.14.0.03,18.04,16.06,14.08,12.021,33.023,31.025,29]tetratriaconta-1,3(18),4,6,8(12),10,13,15,19,21,23,25(29),27,30,32-pentadecaene;octacyclo[14.14.0.02,13.04,12.06,10.017,28.019,27.021,25]triaconta-1(16),2(13),4(12),5,7,10,14,17(28),19(27),20,22,25,29-tridecaene;octacyclo[14.14.0.02,13.04,12.06,10.017,28.019,27.021,25]triaconta-1(16),2(13),4(12),5,8,10,14,17(28),19(27),20,23,25,29-tridecaene;undecacyclo[22.18.0.03,22.04,20.06,18.08,16.010,14.025,41.027,39.029,37.031,35]dotetraconta-1,3(22),4(20),5,7,9,11,14,16,18,23,25(41),26,28,30,32,35,37,39-nonadecaene;undecacyclo[22.18.0.03,22.04,20.06,18.08,16.010,14.025,41.027,39.029,37.031,35]dotetraconta-1,3(22),4(20),5,7,9,12,14,16,18,23,25(41),26,28,30,33,35,37,39-nonadecaene (CID 161386072) is decacyclo[18.18.0.02,17.04,16.06,14.08,12.021,36.023,35.025,33.027,31]octatriaconta-1(20),2(17),4,6,8(12),9,13,15,18,21(36),23,25,27(31),28,32,34,37-heptadecaene;decacyclo[18.18.0.02,17.04,16.06,14.08,12.021,36.023,35.025,33.027,31]octatriaconta-1(20),2(17),4,6,8(12),10,13,15,18,21(36),23,25,27(31),29,32,34,37-heptadecaene;decacyclo[18.18.0.02,18.04,16.06,14.08,12.021,37.023,35.025,33.027,31]octatriaconta-1(20),2(18),3,5,7,9,12,14,16,21(37),22,24,26,28,31,33,35-heptadecaene;nonacyclo[18.14.0.03,18.04,16.06,14.08,12.021,33.023,31.025,29]tetratriaconta-1,3(18),4,6,8(12),9,13,15,19,21,23,25(29),26,30,32-pentadecaene;nonacyclo[18.14.0.03,18.04,16.06,14.08,12.021,33.023,31.025,29]tetratriaconta-1,3(18),4,6,8(12),10,13,15,19,21,23,25(29),27,30,32-pentadecaene;octacyclo[14.14.0.02,13.04,12.06,10.017,28.019,27.021,25]triaconta-1(16),2(13),4(12),5,7,10,14,17(28),19(27),20,22,25,29-tridecaene;octacyclo[14.14.0.02,13.04,12.06,10.017,28.019,27.021,25]triaconta-1(16),2(13),4(12),5,8,10,14,17(28),19(27),20,23,25,29-tridecaene;undecacyclo[22.18.0.03,22.04,20.06,18.08,16.010,14.025,41.027,39.029,37.031,35]dotetraconta-1,3(22),4(20),5,7,9,11,14,16,18,23,25(41),26,28,30,32,35,37,39-nonadecaene;undecacyclo[22.18.0.03,22.04,20.06,18.08,16.010,14.025,41.027,39.029,37.031,35]dotetraconta-1,3(22),4(20),5,7,9,12,14,16,18,23,25(41),26,28,30,33,35,37,39-nonadecaene.
What is the SMILES notation for decacyclo[18.18.0.02,17.04,16.06,14.08,12.021,36.023,35.025,33.027,31]octatriaconta-1(20),2(17),4,6,8(12),9,13,15,18,21(36),23,25,27(31),28,32,34,37-heptadecaene;decacyclo[18.18.0.02,17.04,16.06,14.08,12.021,36.023,35.025,33.027,31]octatriaconta-1(20),2(17),4,6,8(12),10,13,15,18,21(36),23,25,27(31),29,32,34,37-heptadecaene;decacyclo[18.18.0.02,18.04,16.06,14.08,12.021,37.023,35.025,33.027,31]octatriaconta-1(20),2(18),3,5,7,9,12,14,16,21(37),22,24,26,28,31,33,35-heptadecaene;nonacyclo[18.14.0.03,18.04,16.06,14.08,12.021,33.023,31.025,29]tetratriaconta-1,3(18),4,6,8(12),9,13,15,19,21,23,25(29),26,30,32-pentadecaene;nonacyclo[18.14.0.03,18.04,16.06,14.08,12.021,33.023,31.025,29]tetratriaconta-1,3(18),4,6,8(12),10,13,15,19,21,23,25(29),27,30,32-pentadecaene;octacyclo[14.14.0.02,13.04,12.06,10.017,28.019,27.021,25]triaconta-1(16),2(13),4(12),5,7,10,14,17(28),19(27),20,22,25,29-tridecaene;octacyclo[14.14.0.02,13.04,12.06,10.017,28.019,27.021,25]triaconta-1(16),2(13),4(12),5,8,10,14,17(28),19(27),20,23,25,29-tridecaene;undecacyclo[22.18.0.03,22.04,20.06,18.08,16.010,14.025,41.027,39.029,37.031,35]dotetraconta-1,3(22),4(20),5,7,9,11,14,16,18,23,25(41),26,28,30,32,35,37,39-nonadecaene;undecacyclo[22.18.0.03,22.04,20.06,18.08,16.010,14.025,41.027,39.029,37.031,35]dotetraconta-1,3(22),4(20),5,7,9,12,14,16,18,23,25(41),26,28,30,33,35,37,39-nonadecaene?
The canonical SMILES for decacyclo[18.18.0.02,17.04,16.06,14.08,12.021,36.023,35.025,33.027,31]octatriaconta-1(20),2(17),4,6,8(12),9,13,15,18,21(36),23,25,27(31),28,32,34,37-heptadecaene;decacyclo[18.18.0.02,17.04,16.06,14.08,12.021,36.023,35.025,33.027,31]octatriaconta-1(20),2(17),4,6,8(12),10,13,15,18,21(36),23,25,27(31),29,32,34,37-heptadecaene;decacyclo[18.18.0.02,18.04,16.06,14.08,12.021,37.023,35.025,33.027,31]octatriaconta-1(20),2(18),3,5,7,9,12,14,16,21(37),22,24,26,28,31,33,35-heptadecaene;nonacyclo[18.14.0.03,18.04,16.06,14.08,12.021,33.023,31.025,29]tetratriaconta-1,3(18),4,6,8(12),9,13,15,19,21,23,25(29),26,30,32-pentadecaene;nonacyclo[18.14.0.03,18.04,16.06,14.08,12.021,33.023,31.025,29]tetratriaconta-1,3(18),4,6,8(12),10,13,15,19,21,23,25(29),27,30,32-pentadecaene;octacyclo[14.14.0.02,13.04,12.06,10.017,28.019,27.021,25]triaconta-1(16),2(13),4(12),5,7,10,14,17(28),19(27),20,22,25,29-tridecaene;octacyclo[14.14.0.02,13.04,12.06,10.017,28.019,27.021,25]triaconta-1(16),2(13),4(12),5,8,10,14,17(28),19(27),20,23,25,29-tridecaene;undecacyclo[22.18.0.03,22.04,20.06,18.08,16.010,14.025,41.027,39.029,37.031,35]dotetraconta-1,3(22),4(20),5,7,9,11,14,16,18,23,25(41),26,28,30,32,35,37,39-nonadecaene;undecacyclo[22.18.0.03,22.04,20.06,18.08,16.010,14.025,41.027,39.029,37.031,35]dotetraconta-1,3(22),4(20),5,7,9,12,14,16,18,23,25(41),26,28,30,33,35,37,39-nonadecaene is C1=Cc2cc3c(cc2C1)-c1ccc2c4c(ccc2c1C3)-c1cc2c(cc1C4)C=CC2.C1=Cc2cc3c(cc2C1)Cc1c-3ccc2c3c(ccc12)-c1cc2c(cc1C3)CC=C2.C1=Cc2cc3cc4c(cc3cc2C1)-c1cc2c(cc1C4)-c1cc3cc4c(cc3cc1C2)C=CC4.C1=Cc2cc3cc4c(cc3cc2C1)-c1ccc2c3c(ccc2c1C4)-c1cc2cc4c(cc2cc1C3)C=CC4.C1=Cc2cc3cc4c(cc3cc2C1)Cc1c-4ccc2c3c(ccc12)-c1cc2cc4c(cc2cc1C3)CC=C4.C1=Cc2cc3cc4c(cc3cc2C1)Cc1cc2c(cc1-4)Cc1cc3cc4c(cc3cc1-2)C=CC4.C1=Cc2cc3cc4cc5c(cc4cc3cc2C1)-c1cc2c(cc1C5)-c1cc3cc4cc5c(cc4cc3cc1C2)C=CC5.C1=Cc2cc3cc4cc5c(cc4cc3cc2C1)CC1=C5Cc2cc3cc4cc5c(cc4cc3cc21)C=CC5.C1=Cc2cc3cc4cc5c(cc4cc3cc2C1)Cc1cc2c(cc1-5)Cc1cc3cc4cc5c(cc4cc3cc1-2)C=CC5.
What is the InChIKey of decacyclo[18.18.0.02,17.04,16.06,14.08,12.021,36.023,35.025,33.027,31]octatriaconta-1(20),2(17),4,6,8(12),9,13,15,18,21(36),23,25,27(31),28,32,34,37-heptadecaene;decacyclo[18.18.0.02,17.04,16.06,14.08,12.021,36.023,35.025,33.027,31]octatriaconta-1(20),2(17),4,6,8(12),10,13,15,18,21(36),23,25,27(31),29,32,34,37-heptadecaene;decacyclo[18.18.0.02,18.04,16.06,14.08,12.021,37.023,35.025,33.027,31]octatriaconta-1(20),2(18),3,5,7,9,12,14,16,21(37),22,24,26,28,31,33,35-heptadecaene;nonacyclo[18.14.0.03,18.04,16.06,14.08,12.021,33.023,31.025,29]tetratriaconta-1,3(18),4,6,8(12),9,13,15,19,21,23,25(29),26,30,32-pentadecaene;nonacyclo[18.14.0.03,18.04,16.06,14.08,12.021,33.023,31.025,29]tetratriaconta-1,3(18),4,6,8(12),10,13,15,19,21,23,25(29),27,30,32-pentadecaene;octacyclo[14.14.0.02,13.04,12.06,10.017,28.019,27.021,25]triaconta-1(16),2(13),4(12),5,7,10,14,17(28),19(27),20,22,25,29-tridecaene;octacyclo[14.14.0.02,13.04,12.06,10.017,28.019,27.021,25]triaconta-1(16),2(13),4(12),5,8,10,14,17(28),19(27),20,23,25,29-tridecaene;undecacyclo[22.18.0.03,22.04,20.06,18.08,16.010,14.025,41.027,39.029,37.031,35]dotetraconta-1,3(22),4(20),5,7,9,11,14,16,18,23,25(41),26,28,30,32,35,37,39-nonadecaene;undecacyclo[22.18.0.03,22.04,20.06,18.08,16.010,14.025,41.027,39.029,37.031,35]dotetraconta-1,3(22),4(20),5,7,9,12,14,16,18,23,25(41),26,28,30,33,35,37,39-nonadecaene?
The InChIKey is VSJCUZVLPFSDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C42H26.3C38H24.2C34H22.2C30H20/c2*1-3-23-7-27-11-31-15-35-17-37-22-42-38(21-41(37)39(35)19-33(31)13-29(27)9-25(23)5-1)18-36-16-32-12-28-8-24-4-2-6-26(24)10-30(28)14-34(32)20-40(36)42;1-3-21-7-25-11-29-15-33-19-38-36-18-32-14-28-10-24-6-2-4-22(24)8-26(28)12-30(32)16-34(36)20-37(38)35(33)17-31(29)13-27(25)9-23(21)5-1;2*1-3-21-11-25-15-29-19-37-31-8-10-34-36-18-28-14-24-6-2-4-22(24)12-26(28)16-30(36)20-38(34)32(31)7-9-33(37)35(29)17-27(25)13-23(21)5-1;2*1-3-19-7-23-11-27-13-29-18-34-30(17-33(29)31(27)15-25(23)9-21(19)5-1)14-28-12-24-8-20-4-2-6-22(20)10-26(24)16-32(28)34;2*1-3-17-11-21-15-29-23-8-10-26-28-14-20-6-2-4-18(20)12-22(28)16-30(26)24(23)7-9-25(29)27(21)13-19(17)5-1/h1-2,5-16,19-22H,3-4,17-18H2;1-4,7-16,19-22H,5-6,17-18H2;2*1-2,5-18H,3-4,19-20H2;1-4,7-18H,5-6,19-20H2;1-2,5-12,15-18H,3-4,13-14H2;1-4,7-12,15-18H,5-6,13-14H2;1-2,5-14H,3-4,15-16H2;1-4,7-14H,5-6,15-16H2.
What are the key properties of decacyclo[18.18.0.02,17.04,16.06,14.08,12.021,36.023,35.025,33.027,31]octatriaconta-1(20),2(17),4,6,8(12),9,13,15,18,21(36),23,25,27(31),28,32,34,37-heptadecaene;decacyclo[18.18.0.02,17.04,16.06,14.08,12.021,36.023,35.025,33.027,31]octatriaconta-1(20),2(17),4,6,8(12),10,13,15,18,21(36),23,25,27(31),29,32,34,37-heptadecaene;decacyclo[18.18.0.02,18.04,16.06,14.08,12.021,37.023,35.025,33.027,31]octatriaconta-1(20),2(18),3,5,7,9,12,14,16,21(37),22,24,26,28,31,33,35-heptadecaene;nonacyclo[18.14.0.03,18.04,16.06,14.08,12.021,33.023,31.025,29]tetratriaconta-1,3(18),4,6,8(12),9,13,15,19,21,23,25(29),26,30,32-pentadecaene;nonacyclo[18.14.0.03,18.04,16.06,14.08,12.021,33.023,31.025,29]tetratriaconta-1,3(18),4,6,8(12),10,13,15,19,21,23,25(29),27,30,32-pentadecaene;octacyclo[14.14.0.02,13.04,12.06,10.017,28.019,27.021,25]triaconta-1(16),2(13),4(12),5,7,10,14,17(28),19(27),20,22,25,29-tridecaene;octacyclo[14.14.0.02,13.04,12.06,10.017,28.019,27.021,25]triaconta-1(16),2(13),4(12),5,8,10,14,17(28),19(27),20,23,25,29-tridecaene;undecacyclo[22.18.0.03,22.04,20.06,18.08,16.010,14.025,41.027,39.029,37.031,35]dotetraconta-1,3(22),4(20),5,7,9,11,14,16,18,23,25(41),26,28,30,32,35,37,39-nonadecaene;undecacyclo[22.18.0.03,22.04,20.06,18.08,16.010,14.025,41.027,39.029,37.031,35]dotetraconta-1,3(22),4(20),5,7,9,12,14,16,18,23,25(41),26,28,30,33,35,37,39-nonadecaene?
decacyclo[18.18.0.02,17.04,16.06,14.08,12.021,36.023,35.025,33.027,31]octatriaconta-1(20),2(17),4,6,8(12),9,13,15,18,21(36),23,25,27(31),28,32,34,37-heptadecaene;decacyclo[18.18.0.02,17.04,16.06,14.08,12.021,36.023,35.025,33.027,31]octatriaconta-1(20),2(17),4,6,8(12),10,13,15,18,21(36),23,25,27(31),29,32,34,37-heptadecaene;decacyclo[18.18.0.02,18.04,16.06,14.08,12.021,37.023,35.025,33.027,31]octatriaconta-1(20),2(18),3,5,7,9,12,14,16,21(37),22,24,26,28,31,33,35-heptadecaene;nonacyclo[18.14.0.03,18.04,16.06,14.08,12.021,33.023,31.025,29]tetratriaconta-1,3(18),4,6,8(12),9,13,15,19,21,23,25(29),26,30,32-pentadecaene;nonacyclo[18.14.0.03,18.04,16.06,14.08,12.021,33.023,31.025,29]tetratriaconta-1,3(18),4,6,8(12),10,13,15,19,21,23,25(29),27,30,32-pentadecaene;octacyclo[14.14.0.02,13.04,12.06,10.017,28.019,27.021,25]triaconta-1(16),2(13),4(12),5,7,10,14,17(28),19(27),20,22,25,29-tridecaene;octacyclo[14.14.0.02,13.04,12.06,10.017,28.019,27.021,25]triaconta-1(16),2(13),4(12),5,8,10,14,17(28),19(27),20,23,25,29-tridecaene;undecacyclo[22.18.0.03,22.04,20.06,18.08,16.010,14.025,41.027,39.029,37.031,35]dotetraconta-1,3(22),4(20),5,7,9,11,14,16,18,23,25(41),26,28,30,32,35,37,39-nonadecaene;undecacyclo[22.18.0.03,22.04,20.06,18.08,16.010,14.025,41.027,39.029,37.031,35]dotetraconta-1,3(22),4(20),5,7,9,12,14,16,18,23,25(41),26,28,30,33,35,37,39-nonadecaene has a molecular weight of 4125.25 g/mol, XLogP of 80.27, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for decacyclo[18.18.0.02,17.04,16.06,14.08,12.021,36.023,35.025,33.027,31]octatriaconta-1(20),2(17),4,6,8(12),9,13,15,18,21(36),23,25,27(31),28,32,34,37-heptadecaene;decacyclo[18.18.0.02,17.04,16.06,14.08,12.021,36.023,35.025,33.027,31]octatriaconta-1(20),2(17),4,6,8(12),10,13,15,18,21(36),23,25,27(31),29,32,34,37-heptadecaene;decacyclo[18.18.0.02,18.04,16.06,14.08,12.021,37.023,35.025,33.027,31]octatriaconta-1(20),2(18),3,5,7,9,12,14,16,21(37),22,24,26,28,31,33,35-heptadecaene;nonacyclo[18.14.0.03,18.04,16.06,14.08,12.021,33.023,31.025,29]tetratriaconta-1,3(18),4,6,8(12),9,13,15,19,21,23,25(29),26,30,32-pentadecaene;nonacyclo[18.14.0.03,18.04,16.06,14.08,12.021,33.023,31.025,29]tetratriaconta-1,3(18),4,6,8(12),10,13,15,19,21,23,25(29),27,30,32-pentadecaene;octacyclo[14.14.0.02,13.04,12.06,10.017,28.019,27.021,25]triaconta-1(16),2(13),4(12),5,7,10,14,17(28),19(27),20,22,25,29-tridecaene;octacyclo[14.14.0.02,13.04,12.06,10.017,28.019,27.021,25]triaconta-1(16),2(13),4(12),5,8,10,14,17(28),19(27),20,23,25,29-tridecaene;undecacyclo[22.18.0.03,22.04,20.06,18.08,16.010,14.025,41.027,39.029,37.031,35]dotetraconta-1,3(22),4(20),5,7,9,11,14,16,18,23,25(41),26,28,30,32,35,37,39-nonadecaene;undecacyclo[22.18.0.03,22.04,20.06,18.08,16.010,14.025,41.027,39.029,37.031,35]dotetraconta-1,3(22),4(20),5,7,9,12,14,16,18,23,25(41),26,28,30,33,35,37,39-nonadecaene is sourced from PubChem (CID 161386072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).