27,29-dimethyl-8,21,28,30-tetraoxaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene;12,31,35,44-tetraoxa-25,41-diazadecacyclo[21.19.3.16,10.114,18.126,30.136,40.05,42.07,41.017,25.019,24]nonatetraconta-1(42),2,4,6,8,10(49),14(48),15,17,19,21,23,26(47),27,29,36,38,40(46)-octadecaene;8,21,28,30-tetraoxa-4,12-diazaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene;3,9,17,25-tetraoxaheptacyclo[21.5.2.25,8.07,11.010,15.019,24.026,30]dotriaconta-1(29),5,7,10(15),11,13,19(24),20,22,26(30),27,31-dodecaene;8,21,28,30-tetraoxaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene;8,21,28,30-tetraoxa-5,11,31,32-tetrazaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2(32),3,5,10,12,14(31),15,17,19(29),23(27),24-dodecaene

C179H132N8O24 — CID 159673226

IUPAC27,29-dimethyl-8,21,28,30-tetraoxaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene;12,31,35,44-tetraoxa-25,41-diazadecacyclo[21.19.3.16,10.114,18.126,30.136,40.05,42.07,41.017,25.019,24]nonatetraconta-1(42),2,4,6,8,10(49),14(48),15,17,19,21,23,26(47),27,29,36,38,40(46)-octadecaene;8,21,28,30-tetraoxa-4,12-diazaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene;3,9,17,25-tetraoxaheptacyclo[21.5.2.25,8.07,11.010,15.019,24.026,30]dotriaconta-1(29),5,7,10(15),11,13,19(24),20,22,26(30),27,31-dodecaene;8,21,28,30-tetraoxaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene;8,21,28,30-tetraoxa-5,11,31,32-tetrazaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2(32),3,5,10,12,14(31),15,17,19(29),23(27),24-dodecaene
SMILESCc1c2ccc3oc4ccc(cc4c13)COCc1ccc3oc4ccc(c(C)c4c3c1)COC2.c1cc2c3oc4ccc(cc4c3c1)COCc1ccc3oc4c(cccc4c3c1)COC2.c1cc2cc(c1)-n1c3ccc4cc3c3cccc(c31)COCc1cccc3c5cc(ccc5n(c13)-c1cccc(c1)OCCCO2)COC4.c1cc2oc3ccc4cc3c2cc1COCc1ccc2oc3ccc(cc3c2c1)COC4.c1cc2oc3cnc4nc3c2cc1COCc1ccc2oc3cnc(nc3c2c1)COC4.c1cc2oc3ncc4cc3c2cc1COCc1ccc2oc3ncc(cc3c2c1)COC4
InChIInChI=1S/C43H34N2O4.C30H24O4.2C28H20O4.C26H18N2O4.C24H16N4O4/c1-6-30-26-47-27-31-7-2-13-37-39-21-29-15-17-41(39)45(43(31)37)33-9-4-11-35(23-33)49-19-5-18-48-34-10-3-8-32(22-34)44-40-16-14-28(24-46-25-29)20-38(40)36(12-1)42(30)44;1-17-21-5-9-27-29(17)23-11-19(3-7-25(23)33-27)13-31-14-20-4-8-26-24(12-20)30-18(2)22(16-32-15-21)6-10-28(30)34-26;1-5-25-21-9-17(1)13-29-14-18-3-7-27-23(11-18)24-12-20(4-8-28(24)32-27)16-30-15-19-2-6-26(31-25)22(21)10-19;1-3-19-15-30-16-20-4-2-6-22-24-12-18(8-10-26(24)32-28(20)22)14-29-13-17-7-9-25-23(11-17)21(5-1)27(19)31-25;1-3-23-19-5-15(1)11-29-12-16-2-4-24-20(6-16)22-8-18(10-28-26(22)32-24)14-30-13-17-7-21(19)25(31-23)27-9-17;1-3-17-15-5-13(1)9-29-10-14-2-4-18-16(6-14)24-20(32-18)8-26-22(28-24)12-30-11-21-25-7-19(31-17)23(15)27-21/h1-4,6-17,20-23H,5,18-19,24-27H2;3-12H,13-16H2,1-2H3;2*1-12H,13-16H2;1-10H,11-14H2;1-8H,9-12H2
InChIKeyMUGKZXOLUYDSKR-UHFFFAOYSA-N
MW2779.06 g/mol
LogP42.94
Rot. Bonds

About 27,29-dimethyl-8,21,28,30-tetraoxaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene;12,31,35,44-tetraoxa-25,41-diazadecacyclo[21.19.3.16,10.114,18.126,30.136,40.05,42.07,41.017,25.019,24]nonatetraconta-1(42),2,4,6,8,10(49),14(48),15,17,19,21,23,26(47),27,29,36,38,40(46)-octadecaene;8,21,28,30-tetraoxa-4,12-diazaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene;3,9,17,25-tetraoxaheptacyclo[21.5.2.25,8.07,11.010,15.019,24.026,30]dotriaconta-1(29),5,7,10(15),11,13,19(24),20,22,26(30),27,31-dodecaene;8,21,28,30-tetraoxaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene;8,21,28,30-tetraoxa-5,11,31,32-tetrazaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2(32),3,5,10,12,14(31),15,17,19(29),23(27),24-dodecaene

27,29-dimethyl-8,21,28,30-tetraoxaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene;12,31,35,44-tetraoxa-25,41-diazadecacyclo[21.19.3.16,10.114,18.126,30.136,40.05,42.07,41.017,25.019,24]nonatetraconta-1(42),2,4,6,8,10(49),14(48),15,17,19,21,23,26(47),27,29,36,38,40(46)-octadecaene;8,21,28,30-tetraoxa-4,12-diazaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene;3,9,17,25-tetraoxaheptacyclo[21.5.2.25,8.07,11.010,15.019,24.026,30]dotriaconta-1(29),5,7,10(15),11,13,19(24),20,22,26(30),27,31-dodecaene;8,21,28,30-tetraoxaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene;8,21,28,30-tetraoxa-5,11,31,32-tetrazaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2(32),3,5,10,12,14(31),15,17,19(29),23(27),24-dodecaene (PubChem CID 159673226) has the molecular formula C179H132N8O24 and a molecular weight of 2779.06 g/mol. Its IUPAC name is 27,29-dimethyl-8,21,28,30-tetraoxaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene;12,31,35,44-tetraoxa-25,41-diazadecacyclo[21.19.3.16,10.114,18.126,30.136,40.05,42.07,41.017,25.019,24]nonatetraconta-1(42),2,4,6,8,10(49),14(48),15,17,19,21,23,26(47),27,29,36,38,40(46)-octadecaene;8,21,28,30-tetraoxa-4,12-diazaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene;3,9,17,25-tetraoxaheptacyclo[21.5.2.25,8.07,11.010,15.019,24.026,30]dotriaconta-1(29),5,7,10(15),11,13,19(24),20,22,26(30),27,31-dodecaene;8,21,28,30-tetraoxaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene;8,21,28,30-tetraoxa-5,11,31,32-tetrazaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2(32),3,5,10,12,14(31),15,17,19(29),23(27),24-dodecaene.

Molecular Properties

Compound Name27,29-dimethyl-8,21,28,30-tetraoxaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene;12,31,35,44-tetraoxa-25,41-diazadecacyclo[21.19.3.16,10.114,18.126,30.136,40.05,42.07,41.017,25.019,24]nonatetraconta-1(42),2,4,6,8,10(49),14(48),15,17,19,21,23,26(47),27,29,36,38,40(46)-octadecaene;8,21,28,30-tetraoxa-4,12-diazaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene;3,9,17,25-tetraoxaheptacyclo[21.5.2.25,8.07,11.010,15.019,24.026,30]dotriaconta-1(29),5,7,10(15),11,13,19(24),20,22,26(30),27,31-dodecaene;8,21,28,30-tetraoxaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene;8,21,28,30-tetraoxa-5,11,31,32-tetrazaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2(32),3,5,10,12,14(31),15,17,19(29),23(27),24-dodecaene
PubChem CID159673226
Molecular FormulaC179H132N8O24
Molecular Weight2779.06 g/mol
Exact Mass2776.94
IUPAC Name27,29-dimethyl-8,21,28,30-tetraoxaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene;12,31,35,44-tetraoxa-25,41-diazadecacyclo[21.19.3.16,10.114,18.126,30.136,40.05,42.07,41.017,25.019,24]nonatetraconta-1(42),2,4,6,8,10(49),14(48),15,17,19,21,23,26(47),27,29,36,38,40(46)-octadecaene;8,21,28,30-tetraoxa-4,12-diazaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene;3,9,17,25-tetraoxaheptacyclo[21.5.2.25,8.07,11.010,15.019,24.026,30]dotriaconta-1(29),5,7,10(15),11,13,19(24),20,22,26(30),27,31-dodecaene;8,21,28,30-tetraoxaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene;8,21,28,30-tetraoxa-5,11,31,32-tetrazaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2(32),3,5,10,12,14(31),15,17,19(29),23(27),24-dodecaene
SMILESCc1c2ccc3oc4ccc(cc4c13)COCc1ccc3oc4ccc(c(C)c4c3c1)COC2.c1cc2c3oc4ccc(cc4c3c1)COCc1ccc3oc4c(cccc4c3c1)COC2.c1cc2cc(c1)-n1c3ccc4cc3c3cccc(c31)COCc1cccc3c5cc(ccc5n(c13)-c1cccc(c1)OCCCO2)COC4.c1cc2oc3ccc4cc3c2cc1COCc1ccc2oc3ccc(cc3c2c1)COC4.c1cc2oc3cnc4nc3c2cc1COCc1ccc2oc3cnc(nc3c2c1)COC4.c1cc2oc3ncc4cc3c2cc1COCc1ccc2oc3ncc(cc3c2c1)COC4
InChIInChI=1S/C43H34N2O4.C30H24O4.2C28H20O4.C26H18N2O4.C24H16N4O4/c1-6-30-26-47-27-31-7-2-13-37-39-21-29-15-17-41(39)45(43(31)37)33-9-4-11-35(23-33)49-19-5-18-48-34-10-3-8-32(22-34)44-40-16-14-28(24-46-25-29)20-38(40)36(12-1)42(30)44;1-17-21-5-9-27-29(17)23-11-19(3-7-25(23)33-27)13-31-14-20-4-8-26-24(12-20)30-18(2)22(16-32-15-21)6-10-28(30)34-26;1-5-25-21-9-17(1)13-29-14-18-3-7-27-23(11-18)24-12-20(4-8-28(24)32-27)16-30-15-19-2-6-26(31-25)22(21)10-19;1-3-19-15-30-16-20-4-2-6-22-24-12-18(8-10-26(24)32-28(20)22)14-29-13-17-7-9-25-23(11-17)21(5-1)27(19)31-25;1-3-23-19-5-15(1)11-29-12-16-2-4-24-20(6-16)22-8-18(10-28-26(22)32-24)14-30-13-17-7-21(19)25(31-23)27-9-17;1-3-17-15-5-13(1)9-29-10-14-2-4-18-16(6-14)24-20(32-18)8-26-22(28-24)12-30-11-21-25-7-19(31-17)23(15)27-21/h1-4,6-17,20-23H,5,18-19,24-27H2;3-12H,13-16H2,1-2H3;2*1-12H,13-16H2;1-10H,11-14H2;1-8H,9-12H2
InChIKeyMUGKZXOLUYDSKR-UHFFFAOYSA-N
XLogP42.94
TPSA347.82 Ų
H-Bond Donors
H-Bond Acceptors32
Rotatable Bonds
Heavy Atoms211
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002779.06
LogP ≤ 542.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1032

Analyze 27,29-dimethyl-8,21,28,30-tetraoxaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene;12,31,35,44-tetraoxa-25,41-diazadecacyclo[21.19.3.16,10.114,18.126,30.136,40.05,42.07,41.017,25.019,24]nonatetraconta-1(42),2,4,6,8,10(49),14(48),15,17,19,21,23,26(47),27,29,36,38,40(46)-octadecaene;8,21,28,30-tetraoxa-4,12-diazaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene;3,9,17,25-tetraoxaheptacyclo[21.5.2.25,8.07,11.010,15.019,24.026,30]dotriaconta-1(29),5,7,10(15),11,13,19(24),20,22,26(30),27,31-dodecaene;8,21,28,30-tetraoxaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene;8,21,28,30-tetraoxa-5,11,31,32-tetrazaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2(32),3,5,10,12,14(31),15,17,19(29),23(27),24-dodecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 27,29-dimethyl-8,21,28,30-tetraoxaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene;12,31,35,44-tetraoxa-25,41-diazadecacyclo[21.19.3.16,10.114,18.126,30.136,40.05,42.07,41.017,25.019,24]nonatetraconta-1(42),2,4,6,8,10(49),14(48),15,17,19,21,23,26(47),27,29,36,38,40(46)-octadecaene;8,21,28,30-tetraoxa-4,12-diazaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene;3,9,17,25-tetraoxaheptacyclo[21.5.2.25,8.07,11.010,15.019,24.026,30]dotriaconta-1(29),5,7,10(15),11,13,19(24),20,22,26(30),27,31-dodecaene;8,21,28,30-tetraoxaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene;8,21,28,30-tetraoxa-5,11,31,32-tetrazaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2(32),3,5,10,12,14(31),15,17,19(29),23(27),24-dodecaene?
The IUPAC name of 27,29-dimethyl-8,21,28,30-tetraoxaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene;12,31,35,44-tetraoxa-25,41-diazadecacyclo[21.19.3.16,10.114,18.126,30.136,40.05,42.07,41.017,25.019,24]nonatetraconta-1(42),2,4,6,8,10(49),14(48),15,17,19,21,23,26(47),27,29,36,38,40(46)-octadecaene;8,21,28,30-tetraoxa-4,12-diazaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene;3,9,17,25-tetraoxaheptacyclo[21.5.2.25,8.07,11.010,15.019,24.026,30]dotriaconta-1(29),5,7,10(15),11,13,19(24),20,22,26(30),27,31-dodecaene;8,21,28,30-tetraoxaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene;8,21,28,30-tetraoxa-5,11,31,32-tetrazaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2(32),3,5,10,12,14(31),15,17,19(29),23(27),24-dodecaene (CID 159673226) is 27,29-dimethyl-8,21,28,30-tetraoxaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene;12,31,35,44-tetraoxa-25,41-diazadecacyclo[21.19.3.16,10.114,18.126,30.136,40.05,42.07,41.017,25.019,24]nonatetraconta-1(42),2,4,6,8,10(49),14(48),15,17,19,21,23,26(47),27,29,36,38,40(46)-octadecaene;8,21,28,30-tetraoxa-4,12-diazaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene;3,9,17,25-tetraoxaheptacyclo[21.5.2.25,8.07,11.010,15.019,24.026,30]dotriaconta-1(29),5,7,10(15),11,13,19(24),20,22,26(30),27,31-dodecaene;8,21,28,30-tetraoxaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene;8,21,28,30-tetraoxa-5,11,31,32-tetrazaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2(32),3,5,10,12,14(31),15,17,19(29),23(27),24-dodecaene.
What is the SMILES notation for 27,29-dimethyl-8,21,28,30-tetraoxaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene;12,31,35,44-tetraoxa-25,41-diazadecacyclo[21.19.3.16,10.114,18.126,30.136,40.05,42.07,41.017,25.019,24]nonatetraconta-1(42),2,4,6,8,10(49),14(48),15,17,19,21,23,26(47),27,29,36,38,40(46)-octadecaene;8,21,28,30-tetraoxa-4,12-diazaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene;3,9,17,25-tetraoxaheptacyclo[21.5.2.25,8.07,11.010,15.019,24.026,30]dotriaconta-1(29),5,7,10(15),11,13,19(24),20,22,26(30),27,31-dodecaene;8,21,28,30-tetraoxaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene;8,21,28,30-tetraoxa-5,11,31,32-tetrazaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2(32),3,5,10,12,14(31),15,17,19(29),23(27),24-dodecaene?
The canonical SMILES for 27,29-dimethyl-8,21,28,30-tetraoxaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene;12,31,35,44-tetraoxa-25,41-diazadecacyclo[21.19.3.16,10.114,18.126,30.136,40.05,42.07,41.017,25.019,24]nonatetraconta-1(42),2,4,6,8,10(49),14(48),15,17,19,21,23,26(47),27,29,36,38,40(46)-octadecaene;8,21,28,30-tetraoxa-4,12-diazaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene;3,9,17,25-tetraoxaheptacyclo[21.5.2.25,8.07,11.010,15.019,24.026,30]dotriaconta-1(29),5,7,10(15),11,13,19(24),20,22,26(30),27,31-dodecaene;8,21,28,30-tetraoxaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene;8,21,28,30-tetraoxa-5,11,31,32-tetrazaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2(32),3,5,10,12,14(31),15,17,19(29),23(27),24-dodecaene is Cc1c2ccc3oc4ccc(cc4c13)COCc1ccc3oc4ccc(c(C)c4c3c1)COC2.c1cc2c3oc4ccc(cc4c3c1)COCc1ccc3oc4c(cccc4c3c1)COC2.c1cc2cc(c1)-n1c3ccc4cc3c3cccc(c31)COCc1cccc3c5cc(ccc5n(c13)-c1cccc(c1)OCCCO2)COC4.c1cc2oc3ccc4cc3c2cc1COCc1ccc2oc3ccc(cc3c2c1)COC4.c1cc2oc3cnc4nc3c2cc1COCc1ccc2oc3cnc(nc3c2c1)COC4.c1cc2oc3ncc4cc3c2cc1COCc1ccc2oc3ncc(cc3c2c1)COC4.
What is the InChIKey of 27,29-dimethyl-8,21,28,30-tetraoxaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene;12,31,35,44-tetraoxa-25,41-diazadecacyclo[21.19.3.16,10.114,18.126,30.136,40.05,42.07,41.017,25.019,24]nonatetraconta-1(42),2,4,6,8,10(49),14(48),15,17,19,21,23,26(47),27,29,36,38,40(46)-octadecaene;8,21,28,30-tetraoxa-4,12-diazaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene;3,9,17,25-tetraoxaheptacyclo[21.5.2.25,8.07,11.010,15.019,24.026,30]dotriaconta-1(29),5,7,10(15),11,13,19(24),20,22,26(30),27,31-dodecaene;8,21,28,30-tetraoxaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene;8,21,28,30-tetraoxa-5,11,31,32-tetrazaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2(32),3,5,10,12,14(31),15,17,19(29),23(27),24-dodecaene?
The InChIKey is MUGKZXOLUYDSKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H34N2O4.C30H24O4.2C28H20O4.C26H18N2O4.C24H16N4O4/c1-6-30-26-47-27-31-7-2-13-37-39-21-29-15-17-41(39)45(43(31)37)33-9-4-11-35(23-33)49-19-5-18-48-34-10-3-8-32(22-34)44-40-16-14-28(24-46-25-29)20-38(40)36(12-1)42(30)44;1-17-21-5-9-27-29(17)23-11-19(3-7-25(23)33-27)13-31-14-20-4-8-26-24(12-20)30-18(2)22(16-32-15-21)6-10-28(30)34-26;1-5-25-21-9-17(1)13-29-14-18-3-7-27-23(11-18)24-12-20(4-8-28(24)32-27)16-30-15-19-2-6-26(31-25)22(21)10-19;1-3-19-15-30-16-20-4-2-6-22-24-12-18(8-10-26(24)32-28(20)22)14-29-13-17-7-9-25-23(11-17)21(5-1)27(19)31-25;1-3-23-19-5-15(1)11-29-12-16-2-4-24-20(6-16)22-8-18(10-28-26(22)32-24)14-30-13-17-7-21(19)25(31-23)27-9-17;1-3-17-15-5-13(1)9-29-10-14-2-4-18-16(6-14)24-20(32-18)8-26-22(28-24)12-30-11-21-25-7-19(31-17)23(15)27-21/h1-4,6-17,20-23H,5,18-19,24-27H2;3-12H,13-16H2,1-2H3;2*1-12H,13-16H2;1-10H,11-14H2;1-8H,9-12H2.
What are the key properties of 27,29-dimethyl-8,21,28,30-tetraoxaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene;12,31,35,44-tetraoxa-25,41-diazadecacyclo[21.19.3.16,10.114,18.126,30.136,40.05,42.07,41.017,25.019,24]nonatetraconta-1(42),2,4,6,8,10(49),14(48),15,17,19,21,23,26(47),27,29,36,38,40(46)-octadecaene;8,21,28,30-tetraoxa-4,12-diazaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene;3,9,17,25-tetraoxaheptacyclo[21.5.2.25,8.07,11.010,15.019,24.026,30]dotriaconta-1(29),5,7,10(15),11,13,19(24),20,22,26(30),27,31-dodecaene;8,21,28,30-tetraoxaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene;8,21,28,30-tetraoxa-5,11,31,32-tetrazaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2(32),3,5,10,12,14(31),15,17,19(29),23(27),24-dodecaene?
27,29-dimethyl-8,21,28,30-tetraoxaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene;12,31,35,44-tetraoxa-25,41-diazadecacyclo[21.19.3.16,10.114,18.126,30.136,40.05,42.07,41.017,25.019,24]nonatetraconta-1(42),2,4,6,8,10(49),14(48),15,17,19,21,23,26(47),27,29,36,38,40(46)-octadecaene;8,21,28,30-tetraoxa-4,12-diazaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene;3,9,17,25-tetraoxaheptacyclo[21.5.2.25,8.07,11.010,15.019,24.026,30]dotriaconta-1(29),5,7,10(15),11,13,19(24),20,22,26(30),27,31-dodecaene;8,21,28,30-tetraoxaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene;8,21,28,30-tetraoxa-5,11,31,32-tetrazaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2(32),3,5,10,12,14(31),15,17,19(29),23(27),24-dodecaene has a molecular weight of 2779.06 g/mol, XLogP of 42.94, 0 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 27,29-dimethyl-8,21,28,30-tetraoxaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene;12,31,35,44-tetraoxa-25,41-diazadecacyclo[21.19.3.16,10.114,18.126,30.136,40.05,42.07,41.017,25.019,24]nonatetraconta-1(42),2,4,6,8,10(49),14(48),15,17,19,21,23,26(47),27,29,36,38,40(46)-octadecaene;8,21,28,30-tetraoxa-4,12-diazaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene;3,9,17,25-tetraoxaheptacyclo[21.5.2.25,8.07,11.010,15.019,24.026,30]dotriaconta-1(29),5,7,10(15),11,13,19(24),20,22,26(30),27,31-dodecaene;8,21,28,30-tetraoxaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene;8,21,28,30-tetraoxa-5,11,31,32-tetrazaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2(32),3,5,10,12,14(31),15,17,19(29),23(27),24-dodecaene is sourced from PubChem (CID 159673226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).