decacyclo[25.7.1.17,11.02,26.04,24.06,22.08,21.09,18.010,15.031,35]hexatriaconta-1(34),2(26),3,5,7(36),8(21),9(18),10(15),11,13,16,19,22,24,27,29,31(35),32-octadecaene;decacyclo[20.14.1.14,15.02,20.05,14.07,12.023,32.025,30.033,37.019,38]octatriaconta-1(36),2(20),3,5,7,9,11,13,15(38),16,18,21,23,25,27,29,31,33(37),34-nonadecaene;hexacyclo[16.3.1.02,7.08,21.011,20.014,19]docosa-1(22),2,4,6,8(21),9,11(20),12,14(19),15,17-undecaene;octacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(29),2,4,6,8,10,12,14,16,18,20,22,24,26(30),27-pentadecaene;octacyclo[17.9.2.02,15.04,13.06,11.016,29.020,25.026,30]triaconta-1(29),2,4,6,8,10,12,14,16,18,20,22,24,26(30),27-pentadecaene;octacyclo[24.3.1.02,15.04,13.06,11.016,29.019,28.022,27]triaconta-1(30),2,4,6,8,10,12,14,16(29),17,19(28),20,22(27),23,25-pentadecaene;undecacyclo[25.11.1.17,11.02,26.04,24.06,22.08,21.09,18.010,15.031,39.032,37]tetraconta-1(38),2(26),3,5,7(40),8(21),9(18),10(15),11,13,16,19,22,24,27,29,31(39),32,34,36-icosaene

C226H118 — CID 161200704

IUPACdecacyclo[25.7.1.17,11.02,26.04,24.06,22.08,21.09,18.010,15.031,35]hexatriaconta-1(34),2(26),3,5,7(36),8(21),9(18),10(15),11,13,16,19,22,24,27,29,31(35),32-octadecaene;decacyclo[20.14.1.14,15.02,20.05,14.07,12.023,32.025,30.033,37.019,38]octatriaconta-1(36),2(20),3,5,7,9,11,13,15(38),16,18,21,23,25,27,29,31,33(37),34-nonadecaene;hexacyclo[16.3.1.02,7.08,21.011,20.014,19]docosa-1(22),2,4,6,8(21),9,11(20),12,14(19),15,17-undecaene;octacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(29),2,4,6,8,10,12,14,16,18,20,22,24,26(30),27-pentadecaene;octacyclo[17.9.2.02,15.04,13.06,11.016,29.020,25.026,30]triaconta-1(29),2,4,6,8,10,12,14,16,18,20,22,24,26(30),27-pentadecaene;octacyclo[24.3.1.02,15.04,13.06,11.016,29.019,28.022,27]triaconta-1(30),2,4,6,8,10,12,14,16(29),17,19(28),20,22(27),23,25-pentadecaene;undecacyclo[25.11.1.17,11.02,26.04,24.06,22.08,21.09,18.010,15.031,39.032,37]tetraconta-1(38),2(26),3,5,7(40),8(21),9(18),10(15),11,13,16,19,22,24,27,29,31(39),32,34,36-icosaene
SMILESc1cc2ccc3ccc4c5cc6cc7c(cc6cc5c5cc(c1)c2c3c45)c1cccc2cccc7c21.c1ccc2c(c1)-c1ccc3c4c(ccc-2c14)-c1cc2cc4ccccc4cc2cc1-3.c1ccc2c(c1)-c1ccc3ccc4cccc5cc-2c1c3c45.c1ccc2c(c1)cc1c3cc4cc5c(cc4cc3c3cccc2c31)c1ccc2ccc3cccc4cc5c1c2c34.c1ccc2cc3c(cc2c1)-c1ccc2c4c(ccc-3c14)-c1cc3ccccc3cc1-2.c1ccc2cc3c(cc2c1)c1cccc2c4cc5c6cc7ccccc7cc6c6cccc(c4cc3c12)c65.c1ccc2cc3cc4c(cc3cc2c1)-c1ccc2ccc3cccc5cc-4c1c2c35
InChIInChI=1S/C40H20.C38H20.C36H18.3C30H16.C22H12/c1-2-8-27-23(5-1)15-35-33-19-26-20-34-32(18-25(26)17-31(33)29-10-4-9-28(27)39(29)35)30-14-13-22-12-11-21-6-3-7-24-16-36(34)40(30)38(22)37(21)24;1-3-9-23-17-31-29(15-21(23)7-1)25-11-5-13-27-34-20-36-32-18-24-10-4-2-8-22(24)16-30(32)26-12-6-14-28(38(26)36)33(34)19-35(31)37(25)27;1-4-20-10-11-21-12-13-27-30-17-23-15-28-25-8-2-5-19-6-3-9-26(34(19)25)29(28)16-24(23)18-31(30)32-14-22(7-1)33(20)35(21)36(27)32;1-2-6-18-14-20-16-28-26-12-10-24-22-8-4-3-7-21(22)23-9-11-25(30(26)29(23)24)27(28)15-19(20)13-17(18)5-1;1-2-6-18-14-26-22-11-12-24-28-16-20-8-4-3-7-19(20)15-27(28)23-10-9-21(29(22)30(23)24)25(26)13-17(18)5-1;1-2-5-20-13-23-16-26-25(15-22(23)12-19(20)4-1)24-11-10-18-9-8-17-6-3-7-21-14-27(26)30(24)29(18)28(17)21;1-2-7-17-16(6-1)18-11-10-14-9-8-13-4-3-5-15-12-19(17)22(18)21(14)20(13)15/h1-20H;1-20H;1-18H;3*1-16H;1-12H
InChIKeyUUYBHTCJFSGJCF-UHFFFAOYSA-N
MW2833.43 g/mol
LogP64.50
Rot. Bonds

About decacyclo[25.7.1.17,11.02,26.04,24.06,22.08,21.09,18.010,15.031,35]hexatriaconta-1(34),2(26),3,5,7(36),8(21),9(18),10(15),11,13,16,19,22,24,27,29,31(35),32-octadecaene;decacyclo[20.14.1.14,15.02,20.05,14.07,12.023,32.025,30.033,37.019,38]octatriaconta-1(36),2(20),3,5,7,9,11,13,15(38),16,18,21,23,25,27,29,31,33(37),34-nonadecaene;hexacyclo[16.3.1.02,7.08,21.011,20.014,19]docosa-1(22),2,4,6,8(21),9,11(20),12,14(19),15,17-undecaene;octacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(29),2,4,6,8,10,12,14,16,18,20,22,24,26(30),27-pentadecaene;octacyclo[17.9.2.02,15.04,13.06,11.016,29.020,25.026,30]triaconta-1(29),2,4,6,8,10,12,14,16,18,20,22,24,26(30),27-pentadecaene;octacyclo[24.3.1.02,15.04,13.06,11.016,29.019,28.022,27]triaconta-1(30),2,4,6,8,10,12,14,16(29),17,19(28),20,22(27),23,25-pentadecaene;undecacyclo[25.11.1.17,11.02,26.04,24.06,22.08,21.09,18.010,15.031,39.032,37]tetraconta-1(38),2(26),3,5,7(40),8(21),9(18),10(15),11,13,16,19,22,24,27,29,31(39),32,34,36-icosaene

decacyclo[25.7.1.17,11.02,26.04,24.06,22.08,21.09,18.010,15.031,35]hexatriaconta-1(34),2(26),3,5,7(36),8(21),9(18),10(15),11,13,16,19,22,24,27,29,31(35),32-octadecaene;decacyclo[20.14.1.14,15.02,20.05,14.07,12.023,32.025,30.033,37.019,38]octatriaconta-1(36),2(20),3,5,7,9,11,13,15(38),16,18,21,23,25,27,29,31,33(37),34-nonadecaene;hexacyclo[16.3.1.02,7.08,21.011,20.014,19]docosa-1(22),2,4,6,8(21),9,11(20),12,14(19),15,17-undecaene;octacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(29),2,4,6,8,10,12,14,16,18,20,22,24,26(30),27-pentadecaene;octacyclo[17.9.2.02,15.04,13.06,11.016,29.020,25.026,30]triaconta-1(29),2,4,6,8,10,12,14,16,18,20,22,24,26(30),27-pentadecaene;octacyclo[24.3.1.02,15.04,13.06,11.016,29.019,28.022,27]triaconta-1(30),2,4,6,8,10,12,14,16(29),17,19(28),20,22(27),23,25-pentadecaene;undecacyclo[25.11.1.17,11.02,26.04,24.06,22.08,21.09,18.010,15.031,39.032,37]tetraconta-1(38),2(26),3,5,7(40),8(21),9(18),10(15),11,13,16,19,22,24,27,29,31(39),32,34,36-icosaene (PubChem CID 161200704) has the molecular formula C226H118 and a molecular weight of 2833.43 g/mol. Its IUPAC name is decacyclo[25.7.1.17,11.02,26.04,24.06,22.08,21.09,18.010,15.031,35]hexatriaconta-1(34),2(26),3,5,7(36),8(21),9(18),10(15),11,13,16,19,22,24,27,29,31(35),32-octadecaene;decacyclo[20.14.1.14,15.02,20.05,14.07,12.023,32.025,30.033,37.019,38]octatriaconta-1(36),2(20),3,5,7,9,11,13,15(38),16,18,21,23,25,27,29,31,33(37),34-nonadecaene;hexacyclo[16.3.1.02,7.08,21.011,20.014,19]docosa-1(22),2,4,6,8(21),9,11(20),12,14(19),15,17-undecaene;octacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(29),2,4,6,8,10,12,14,16,18,20,22,24,26(30),27-pentadecaene;octacyclo[17.9.2.02,15.04,13.06,11.016,29.020,25.026,30]triaconta-1(29),2,4,6,8,10,12,14,16,18,20,22,24,26(30),27-pentadecaene;octacyclo[24.3.1.02,15.04,13.06,11.016,29.019,28.022,27]triaconta-1(30),2,4,6,8,10,12,14,16(29),17,19(28),20,22(27),23,25-pentadecaene;undecacyclo[25.11.1.17,11.02,26.04,24.06,22.08,21.09,18.010,15.031,39.032,37]tetraconta-1(38),2(26),3,5,7(40),8(21),9(18),10(15),11,13,16,19,22,24,27,29,31(39),32,34,36-icosaene.

Molecular Properties

Compound Namedecacyclo[25.7.1.17,11.02,26.04,24.06,22.08,21.09,18.010,15.031,35]hexatriaconta-1(34),2(26),3,5,7(36),8(21),9(18),10(15),11,13,16,19,22,24,27,29,31(35),32-octadecaene;decacyclo[20.14.1.14,15.02,20.05,14.07,12.023,32.025,30.033,37.019,38]octatriaconta-1(36),2(20),3,5,7,9,11,13,15(38),16,18,21,23,25,27,29,31,33(37),34-nonadecaene;hexacyclo[16.3.1.02,7.08,21.011,20.014,19]docosa-1(22),2,4,6,8(21),9,11(20),12,14(19),15,17-undecaene;octacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(29),2,4,6,8,10,12,14,16,18,20,22,24,26(30),27-pentadecaene;octacyclo[17.9.2.02,15.04,13.06,11.016,29.020,25.026,30]triaconta-1(29),2,4,6,8,10,12,14,16,18,20,22,24,26(30),27-pentadecaene;octacyclo[24.3.1.02,15.04,13.06,11.016,29.019,28.022,27]triaconta-1(30),2,4,6,8,10,12,14,16(29),17,19(28),20,22(27),23,25-pentadecaene;undecacyclo[25.11.1.17,11.02,26.04,24.06,22.08,21.09,18.010,15.031,39.032,37]tetraconta-1(38),2(26),3,5,7(40),8(21),9(18),10(15),11,13,16,19,22,24,27,29,31(39),32,34,36-icosaene
PubChem CID161200704
Molecular FormulaC226H118
Molecular Weight2833.43 g/mol
Exact Mass2830.92
IUPAC Namedecacyclo[25.7.1.17,11.02,26.04,24.06,22.08,21.09,18.010,15.031,35]hexatriaconta-1(34),2(26),3,5,7(36),8(21),9(18),10(15),11,13,16,19,22,24,27,29,31(35),32-octadecaene;decacyclo[20.14.1.14,15.02,20.05,14.07,12.023,32.025,30.033,37.019,38]octatriaconta-1(36),2(20),3,5,7,9,11,13,15(38),16,18,21,23,25,27,29,31,33(37),34-nonadecaene;hexacyclo[16.3.1.02,7.08,21.011,20.014,19]docosa-1(22),2,4,6,8(21),9,11(20),12,14(19),15,17-undecaene;octacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(29),2,4,6,8,10,12,14,16,18,20,22,24,26(30),27-pentadecaene;octacyclo[17.9.2.02,15.04,13.06,11.016,29.020,25.026,30]triaconta-1(29),2,4,6,8,10,12,14,16,18,20,22,24,26(30),27-pentadecaene;octacyclo[24.3.1.02,15.04,13.06,11.016,29.019,28.022,27]triaconta-1(30),2,4,6,8,10,12,14,16(29),17,19(28),20,22(27),23,25-pentadecaene;undecacyclo[25.11.1.17,11.02,26.04,24.06,22.08,21.09,18.010,15.031,39.032,37]tetraconta-1(38),2(26),3,5,7(40),8(21),9(18),10(15),11,13,16,19,22,24,27,29,31(39),32,34,36-icosaene
SMILESc1cc2ccc3ccc4c5cc6cc7c(cc6cc5c5cc(c1)c2c3c45)c1cccc2cccc7c21.c1ccc2c(c1)-c1ccc3c4c(ccc-2c14)-c1cc2cc4ccccc4cc2cc1-3.c1ccc2c(c1)-c1ccc3ccc4cccc5cc-2c1c3c45.c1ccc2c(c1)cc1c3cc4cc5c(cc4cc3c3cccc2c31)c1ccc2ccc3cccc4cc5c1c2c34.c1ccc2cc3c(cc2c1)-c1ccc2c4c(ccc-3c14)-c1cc3ccccc3cc1-2.c1ccc2cc3c(cc2c1)c1cccc2c4cc5c6cc7ccccc7cc6c6cccc(c4cc3c12)c65.c1ccc2cc3cc4c(cc3cc2c1)-c1ccc2ccc3cccc5cc-4c1c2c35
InChIInChI=1S/C40H20.C38H20.C36H18.3C30H16.C22H12/c1-2-8-27-23(5-1)15-35-33-19-26-20-34-32(18-25(26)17-31(33)29-10-4-9-28(27)39(29)35)30-14-13-22-12-11-21-6-3-7-24-16-36(34)40(30)38(22)37(21)24;1-3-9-23-17-31-29(15-21(23)7-1)25-11-5-13-27-34-20-36-32-18-24-10-4-2-8-22(24)16-30(32)26-12-6-14-28(38(26)36)33(34)19-35(31)37(25)27;1-4-20-10-11-21-12-13-27-30-17-23-15-28-25-8-2-5-19-6-3-9-26(34(19)25)29(28)16-24(23)18-31(30)32-14-22(7-1)33(20)35(21)36(27)32;1-2-6-18-14-20-16-28-26-12-10-24-22-8-4-3-7-21(22)23-9-11-25(30(26)29(23)24)27(28)15-19(20)13-17(18)5-1;1-2-6-18-14-26-22-11-12-24-28-16-20-8-4-3-7-19(20)15-27(28)23-10-9-21(29(22)30(23)24)25(26)13-17(18)5-1;1-2-5-20-13-23-16-26-25(15-22(23)12-19(20)4-1)24-11-10-18-9-8-17-6-3-7-21-14-27(26)30(24)29(18)28(17)21;1-2-7-17-16(6-1)18-11-10-14-9-8-13-4-3-5-15-12-19(17)22(18)21(14)20(13)15/h1-20H;1-20H;1-18H;3*1-16H;1-12H
InChIKeyUUYBHTCJFSGJCF-UHFFFAOYSA-N
XLogP64.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms226
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002833.43
LogP ≤ 564.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze decacyclo[25.7.1.17,11.02,26.04,24.06,22.08,21.09,18.010,15.031,35]hexatriaconta-1(34),2(26),3,5,7(36),8(21),9(18),10(15),11,13,16,19,22,24,27,29,31(35),32-octadecaene;decacyclo[20.14.1.14,15.02,20.05,14.07,12.023,32.025,30.033,37.019,38]octatriaconta-1(36),2(20),3,5,7,9,11,13,15(38),16,18,21,23,25,27,29,31,33(37),34-nonadecaene;hexacyclo[16.3.1.02,7.08,21.011,20.014,19]docosa-1(22),2,4,6,8(21),9,11(20),12,14(19),15,17-undecaene;octacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(29),2,4,6,8,10,12,14,16,18,20,22,24,26(30),27-pentadecaene;octacyclo[17.9.2.02,15.04,13.06,11.016,29.020,25.026,30]triaconta-1(29),2,4,6,8,10,12,14,16,18,20,22,24,26(30),27-pentadecaene;octacyclo[24.3.1.02,15.04,13.06,11.016,29.019,28.022,27]triaconta-1(30),2,4,6,8,10,12,14,16(29),17,19(28),20,22(27),23,25-pentadecaene;undecacyclo[25.11.1.17,11.02,26.04,24.06,22.08,21.09,18.010,15.031,39.032,37]tetraconta-1(38),2(26),3,5,7(40),8(21),9(18),10(15),11,13,16,19,22,24,27,29,31(39),32,34,36-icosaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of decacyclo[25.7.1.17,11.02,26.04,24.06,22.08,21.09,18.010,15.031,35]hexatriaconta-1(34),2(26),3,5,7(36),8(21),9(18),10(15),11,13,16,19,22,24,27,29,31(35),32-octadecaene;decacyclo[20.14.1.14,15.02,20.05,14.07,12.023,32.025,30.033,37.019,38]octatriaconta-1(36),2(20),3,5,7,9,11,13,15(38),16,18,21,23,25,27,29,31,33(37),34-nonadecaene;hexacyclo[16.3.1.02,7.08,21.011,20.014,19]docosa-1(22),2,4,6,8(21),9,11(20),12,14(19),15,17-undecaene;octacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(29),2,4,6,8,10,12,14,16,18,20,22,24,26(30),27-pentadecaene;octacyclo[17.9.2.02,15.04,13.06,11.016,29.020,25.026,30]triaconta-1(29),2,4,6,8,10,12,14,16,18,20,22,24,26(30),27-pentadecaene;octacyclo[24.3.1.02,15.04,13.06,11.016,29.019,28.022,27]triaconta-1(30),2,4,6,8,10,12,14,16(29),17,19(28),20,22(27),23,25-pentadecaene;undecacyclo[25.11.1.17,11.02,26.04,24.06,22.08,21.09,18.010,15.031,39.032,37]tetraconta-1(38),2(26),3,5,7(40),8(21),9(18),10(15),11,13,16,19,22,24,27,29,31(39),32,34,36-icosaene?
The IUPAC name of decacyclo[25.7.1.17,11.02,26.04,24.06,22.08,21.09,18.010,15.031,35]hexatriaconta-1(34),2(26),3,5,7(36),8(21),9(18),10(15),11,13,16,19,22,24,27,29,31(35),32-octadecaene;decacyclo[20.14.1.14,15.02,20.05,14.07,12.023,32.025,30.033,37.019,38]octatriaconta-1(36),2(20),3,5,7,9,11,13,15(38),16,18,21,23,25,27,29,31,33(37),34-nonadecaene;hexacyclo[16.3.1.02,7.08,21.011,20.014,19]docosa-1(22),2,4,6,8(21),9,11(20),12,14(19),15,17-undecaene;octacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(29),2,4,6,8,10,12,14,16,18,20,22,24,26(30),27-pentadecaene;octacyclo[17.9.2.02,15.04,13.06,11.016,29.020,25.026,30]triaconta-1(29),2,4,6,8,10,12,14,16,18,20,22,24,26(30),27-pentadecaene;octacyclo[24.3.1.02,15.04,13.06,11.016,29.019,28.022,27]triaconta-1(30),2,4,6,8,10,12,14,16(29),17,19(28),20,22(27),23,25-pentadecaene;undecacyclo[25.11.1.17,11.02,26.04,24.06,22.08,21.09,18.010,15.031,39.032,37]tetraconta-1(38),2(26),3,5,7(40),8(21),9(18),10(15),11,13,16,19,22,24,27,29,31(39),32,34,36-icosaene (CID 161200704) is decacyclo[25.7.1.17,11.02,26.04,24.06,22.08,21.09,18.010,15.031,35]hexatriaconta-1(34),2(26),3,5,7(36),8(21),9(18),10(15),11,13,16,19,22,24,27,29,31(35),32-octadecaene;decacyclo[20.14.1.14,15.02,20.05,14.07,12.023,32.025,30.033,37.019,38]octatriaconta-1(36),2(20),3,5,7,9,11,13,15(38),16,18,21,23,25,27,29,31,33(37),34-nonadecaene;hexacyclo[16.3.1.02,7.08,21.011,20.014,19]docosa-1(22),2,4,6,8(21),9,11(20),12,14(19),15,17-undecaene;octacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(29),2,4,6,8,10,12,14,16,18,20,22,24,26(30),27-pentadecaene;octacyclo[17.9.2.02,15.04,13.06,11.016,29.020,25.026,30]triaconta-1(29),2,4,6,8,10,12,14,16,18,20,22,24,26(30),27-pentadecaene;octacyclo[24.3.1.02,15.04,13.06,11.016,29.019,28.022,27]triaconta-1(30),2,4,6,8,10,12,14,16(29),17,19(28),20,22(27),23,25-pentadecaene;undecacyclo[25.11.1.17,11.02,26.04,24.06,22.08,21.09,18.010,15.031,39.032,37]tetraconta-1(38),2(26),3,5,7(40),8(21),9(18),10(15),11,13,16,19,22,24,27,29,31(39),32,34,36-icosaene.
What is the SMILES notation for decacyclo[25.7.1.17,11.02,26.04,24.06,22.08,21.09,18.010,15.031,35]hexatriaconta-1(34),2(26),3,5,7(36),8(21),9(18),10(15),11,13,16,19,22,24,27,29,31(35),32-octadecaene;decacyclo[20.14.1.14,15.02,20.05,14.07,12.023,32.025,30.033,37.019,38]octatriaconta-1(36),2(20),3,5,7,9,11,13,15(38),16,18,21,23,25,27,29,31,33(37),34-nonadecaene;hexacyclo[16.3.1.02,7.08,21.011,20.014,19]docosa-1(22),2,4,6,8(21),9,11(20),12,14(19),15,17-undecaene;octacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(29),2,4,6,8,10,12,14,16,18,20,22,24,26(30),27-pentadecaene;octacyclo[17.9.2.02,15.04,13.06,11.016,29.020,25.026,30]triaconta-1(29),2,4,6,8,10,12,14,16,18,20,22,24,26(30),27-pentadecaene;octacyclo[24.3.1.02,15.04,13.06,11.016,29.019,28.022,27]triaconta-1(30),2,4,6,8,10,12,14,16(29),17,19(28),20,22(27),23,25-pentadecaene;undecacyclo[25.11.1.17,11.02,26.04,24.06,22.08,21.09,18.010,15.031,39.032,37]tetraconta-1(38),2(26),3,5,7(40),8(21),9(18),10(15),11,13,16,19,22,24,27,29,31(39),32,34,36-icosaene?
The canonical SMILES for decacyclo[25.7.1.17,11.02,26.04,24.06,22.08,21.09,18.010,15.031,35]hexatriaconta-1(34),2(26),3,5,7(36),8(21),9(18),10(15),11,13,16,19,22,24,27,29,31(35),32-octadecaene;decacyclo[20.14.1.14,15.02,20.05,14.07,12.023,32.025,30.033,37.019,38]octatriaconta-1(36),2(20),3,5,7,9,11,13,15(38),16,18,21,23,25,27,29,31,33(37),34-nonadecaene;hexacyclo[16.3.1.02,7.08,21.011,20.014,19]docosa-1(22),2,4,6,8(21),9,11(20),12,14(19),15,17-undecaene;octacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(29),2,4,6,8,10,12,14,16,18,20,22,24,26(30),27-pentadecaene;octacyclo[17.9.2.02,15.04,13.06,11.016,29.020,25.026,30]triaconta-1(29),2,4,6,8,10,12,14,16,18,20,22,24,26(30),27-pentadecaene;octacyclo[24.3.1.02,15.04,13.06,11.016,29.019,28.022,27]triaconta-1(30),2,4,6,8,10,12,14,16(29),17,19(28),20,22(27),23,25-pentadecaene;undecacyclo[25.11.1.17,11.02,26.04,24.06,22.08,21.09,18.010,15.031,39.032,37]tetraconta-1(38),2(26),3,5,7(40),8(21),9(18),10(15),11,13,16,19,22,24,27,29,31(39),32,34,36-icosaene is c1cc2ccc3ccc4c5cc6cc7c(cc6cc5c5cc(c1)c2c3c45)c1cccc2cccc7c21.c1ccc2c(c1)-c1ccc3c4c(ccc-2c14)-c1cc2cc4ccccc4cc2cc1-3.c1ccc2c(c1)-c1ccc3ccc4cccc5cc-2c1c3c45.c1ccc2c(c1)cc1c3cc4cc5c(cc4cc3c3cccc2c31)c1ccc2ccc3cccc4cc5c1c2c34.c1ccc2cc3c(cc2c1)-c1ccc2c4c(ccc-3c14)-c1cc3ccccc3cc1-2.c1ccc2cc3c(cc2c1)c1cccc2c4cc5c6cc7ccccc7cc6c6cccc(c4cc3c12)c65.c1ccc2cc3cc4c(cc3cc2c1)-c1ccc2ccc3cccc5cc-4c1c2c35.
What is the InChIKey of decacyclo[25.7.1.17,11.02,26.04,24.06,22.08,21.09,18.010,15.031,35]hexatriaconta-1(34),2(26),3,5,7(36),8(21),9(18),10(15),11,13,16,19,22,24,27,29,31(35),32-octadecaene;decacyclo[20.14.1.14,15.02,20.05,14.07,12.023,32.025,30.033,37.019,38]octatriaconta-1(36),2(20),3,5,7,9,11,13,15(38),16,18,21,23,25,27,29,31,33(37),34-nonadecaene;hexacyclo[16.3.1.02,7.08,21.011,20.014,19]docosa-1(22),2,4,6,8(21),9,11(20),12,14(19),15,17-undecaene;octacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(29),2,4,6,8,10,12,14,16,18,20,22,24,26(30),27-pentadecaene;octacyclo[17.9.2.02,15.04,13.06,11.016,29.020,25.026,30]triaconta-1(29),2,4,6,8,10,12,14,16,18,20,22,24,26(30),27-pentadecaene;octacyclo[24.3.1.02,15.04,13.06,11.016,29.019,28.022,27]triaconta-1(30),2,4,6,8,10,12,14,16(29),17,19(28),20,22(27),23,25-pentadecaene;undecacyclo[25.11.1.17,11.02,26.04,24.06,22.08,21.09,18.010,15.031,39.032,37]tetraconta-1(38),2(26),3,5,7(40),8(21),9(18),10(15),11,13,16,19,22,24,27,29,31(39),32,34,36-icosaene?
The InChIKey is UUYBHTCJFSGJCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H20.C38H20.C36H18.3C30H16.C22H12/c1-2-8-27-23(5-1)15-35-33-19-26-20-34-32(18-25(26)17-31(33)29-10-4-9-28(27)39(29)35)30-14-13-22-12-11-21-6-3-7-24-16-36(34)40(30)38(22)37(21)24;1-3-9-23-17-31-29(15-21(23)7-1)25-11-5-13-27-34-20-36-32-18-24-10-4-2-8-22(24)16-30(32)26-12-6-14-28(38(26)36)33(34)19-35(31)37(25)27;1-4-20-10-11-21-12-13-27-30-17-23-15-28-25-8-2-5-19-6-3-9-26(34(19)25)29(28)16-24(23)18-31(30)32-14-22(7-1)33(20)35(21)36(27)32;1-2-6-18-14-20-16-28-26-12-10-24-22-8-4-3-7-21(22)23-9-11-25(30(26)29(23)24)27(28)15-19(20)13-17(18)5-1;1-2-6-18-14-26-22-11-12-24-28-16-20-8-4-3-7-19(20)15-27(28)23-10-9-21(29(22)30(23)24)25(26)13-17(18)5-1;1-2-5-20-13-23-16-26-25(15-22(23)12-19(20)4-1)24-11-10-18-9-8-17-6-3-7-21-14-27(26)30(24)29(18)28(17)21;1-2-7-17-16(6-1)18-11-10-14-9-8-13-4-3-5-15-12-19(17)22(18)21(14)20(13)15/h1-20H;1-20H;1-18H;3*1-16H;1-12H.
What are the key properties of decacyclo[25.7.1.17,11.02,26.04,24.06,22.08,21.09,18.010,15.031,35]hexatriaconta-1(34),2(26),3,5,7(36),8(21),9(18),10(15),11,13,16,19,22,24,27,29,31(35),32-octadecaene;decacyclo[20.14.1.14,15.02,20.05,14.07,12.023,32.025,30.033,37.019,38]octatriaconta-1(36),2(20),3,5,7,9,11,13,15(38),16,18,21,23,25,27,29,31,33(37),34-nonadecaene;hexacyclo[16.3.1.02,7.08,21.011,20.014,19]docosa-1(22),2,4,6,8(21),9,11(20),12,14(19),15,17-undecaene;octacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(29),2,4,6,8,10,12,14,16,18,20,22,24,26(30),27-pentadecaene;octacyclo[17.9.2.02,15.04,13.06,11.016,29.020,25.026,30]triaconta-1(29),2,4,6,8,10,12,14,16,18,20,22,24,26(30),27-pentadecaene;octacyclo[24.3.1.02,15.04,13.06,11.016,29.019,28.022,27]triaconta-1(30),2,4,6,8,10,12,14,16(29),17,19(28),20,22(27),23,25-pentadecaene;undecacyclo[25.11.1.17,11.02,26.04,24.06,22.08,21.09,18.010,15.031,39.032,37]tetraconta-1(38),2(26),3,5,7(40),8(21),9(18),10(15),11,13,16,19,22,24,27,29,31(39),32,34,36-icosaene?
decacyclo[25.7.1.17,11.02,26.04,24.06,22.08,21.09,18.010,15.031,35]hexatriaconta-1(34),2(26),3,5,7(36),8(21),9(18),10(15),11,13,16,19,22,24,27,29,31(35),32-octadecaene;decacyclo[20.14.1.14,15.02,20.05,14.07,12.023,32.025,30.033,37.019,38]octatriaconta-1(36),2(20),3,5,7,9,11,13,15(38),16,18,21,23,25,27,29,31,33(37),34-nonadecaene;hexacyclo[16.3.1.02,7.08,21.011,20.014,19]docosa-1(22),2,4,6,8(21),9,11(20),12,14(19),15,17-undecaene;octacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(29),2,4,6,8,10,12,14,16,18,20,22,24,26(30),27-pentadecaene;octacyclo[17.9.2.02,15.04,13.06,11.016,29.020,25.026,30]triaconta-1(29),2,4,6,8,10,12,14,16,18,20,22,24,26(30),27-pentadecaene;octacyclo[24.3.1.02,15.04,13.06,11.016,29.019,28.022,27]triaconta-1(30),2,4,6,8,10,12,14,16(29),17,19(28),20,22(27),23,25-pentadecaene;undecacyclo[25.11.1.17,11.02,26.04,24.06,22.08,21.09,18.010,15.031,39.032,37]tetraconta-1(38),2(26),3,5,7(40),8(21),9(18),10(15),11,13,16,19,22,24,27,29,31(39),32,34,36-icosaene has a molecular weight of 2833.43 g/mol, XLogP of 64.50, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for decacyclo[25.7.1.17,11.02,26.04,24.06,22.08,21.09,18.010,15.031,35]hexatriaconta-1(34),2(26),3,5,7(36),8(21),9(18),10(15),11,13,16,19,22,24,27,29,31(35),32-octadecaene;decacyclo[20.14.1.14,15.02,20.05,14.07,12.023,32.025,30.033,37.019,38]octatriaconta-1(36),2(20),3,5,7,9,11,13,15(38),16,18,21,23,25,27,29,31,33(37),34-nonadecaene;hexacyclo[16.3.1.02,7.08,21.011,20.014,19]docosa-1(22),2,4,6,8(21),9,11(20),12,14(19),15,17-undecaene;octacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(29),2,4,6,8,10,12,14,16,18,20,22,24,26(30),27-pentadecaene;octacyclo[17.9.2.02,15.04,13.06,11.016,29.020,25.026,30]triaconta-1(29),2,4,6,8,10,12,14,16,18,20,22,24,26(30),27-pentadecaene;octacyclo[24.3.1.02,15.04,13.06,11.016,29.019,28.022,27]triaconta-1(30),2,4,6,8,10,12,14,16(29),17,19(28),20,22(27),23,25-pentadecaene;undecacyclo[25.11.1.17,11.02,26.04,24.06,22.08,21.09,18.010,15.031,39.032,37]tetraconta-1(38),2(26),3,5,7(40),8(21),9(18),10(15),11,13,16,19,22,24,27,29,31(39),32,34,36-icosaene is sourced from PubChem (CID 161200704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).