3,20,24,27,28,33-hexazaheptacyclo[21.5.2.12,5.110,14.118,22.04,9.026,29]tritriaconta-1(28),2,4(9),5,7,10,12,14(32),18(31),19,21,23,25,29-tetradecaene;3,20,27,28,30,33-hexazaheptacyclo[21.5.2.12,5.110,14.118,22.04,9.026,29]tritriaconta-1(28),2,4(9),5,7,10,12,14(32),18(31),19,21,23(30),24,26(29)-tetradecaene;19-methyl-3,16,19,20,27,28,32-heptazaheptacyclo[21.5.2.12,5.110,14.04,9.018,22.026,29]dotriaconta-1(28),2,4(9),5,7,10,12,14(31),18(22),20,23(30),24,26(29)-tridecaene;19-methyl-3,8,16,19,20,27,28,32-octazaheptacyclo[21.5.2.12,5.110,14.04,9.018,22.026,29]dotriaconta-1(28),2,4,6,8,10,12,14(31),18(22),20,23(30),24,26(29)-tridecaene

C105H81N27 — CID 157206457

IUPAC3,20,24,27,28,33-hexazaheptacyclo[21.5.2.12,5.110,14.118,22.04,9.026,29]tritriaconta-1(28),2,4(9),5,7,10,12,14(32),18(31),19,21,23,25,29-tetradecaene;3,20,27,28,30,33-hexazaheptacyclo[21.5.2.12,5.110,14.118,22.04,9.026,29]tritriaconta-1(28),2,4(9),5,7,10,12,14(32),18(31),19,21,23(30),24,26(29)-tetradecaene;19-methyl-3,16,19,20,27,28,32-heptazaheptacyclo[21.5.2.12,5.110,14.04,9.018,22.026,29]dotriaconta-1(28),2,4(9),5,7,10,12,14(31),18(22),20,23(30),24,26(29)-tridecaene;19-methyl-3,8,16,19,20,27,28,32-octazaheptacyclo[21.5.2.12,5.110,14.04,9.018,22.026,29]dotriaconta-1(28),2,4,6,8,10,12,14(31),18(22),20,23(30),24,26(29)-tridecaene
SMILESCn1ncc2c1CNCc1cccc(c1)-c1cccc3[nH]c(nc13)-c1n[nH]c3ccc-2cc13.Cn1ncc2c1CNCc1cccc(c1)-c1nccc3[nH]c(nc13)-c1n[nH]c3ccc-2cc13.c1cc2cc(c1)-c1cccc3[nH]c(nc13)-c1n[nH]c3ccc(nc13)-c1cncc(c1)CCC2.c1cc2cc(c1)-c1cccc3[nH]c(nc13)-c1n[nH]c3cnc(cc13)-c1cncc(c1)CCC2
InChIInChI=1S/2C27H20N6.C26H21N7.C25H20N8/c1-4-16-5-2-7-18(10-16)20-8-3-9-22-25(20)31-27(30-22)26-21-12-23(29-15-24(21)32-33-26)19-11-17(6-1)13-28-14-19;1-4-16-5-2-7-18(12-16)20-8-3-9-22-24(20)31-27(30-22)26-25-23(32-33-26)11-10-21(29-25)19-13-17(6-1)14-28-15-19;1-33-23-14-27-12-15-4-2-5-16(10-15)18-6-3-7-22-24(18)30-26(29-22)25-19-11-17(20(23)13-28-33)8-9-21(19)31-32-25;1-33-21-13-26-11-14-3-2-4-16(9-14)22-24-20(7-8-27-22)29-25(30-24)23-17-10-15(18(21)12-28-33)5-6-19(17)31-32-23/h2*2-3,5,7-15H,1,4,6H2,(H,30,31)(H,32,33);2-11,13,27H,12,14H2,1H3,(H,29,30)(H,31,32);2-10,12,26H,11,13H2,1H3,(H,29,30)(H,31,32)
InChIKeyARKKDBDVJIWSJO-UHFFFAOYSA-N
MW1720.99 g/mol
LogP20.39
Rot. Bonds

About 3,20,24,27,28,33-hexazaheptacyclo[21.5.2.12,5.110,14.118,22.04,9.026,29]tritriaconta-1(28),2,4(9),5,7,10,12,14(32),18(31),19,21,23,25,29-tetradecaene;3,20,27,28,30,33-hexazaheptacyclo[21.5.2.12,5.110,14.118,22.04,9.026,29]tritriaconta-1(28),2,4(9),5,7,10,12,14(32),18(31),19,21,23(30),24,26(29)-tetradecaene;19-methyl-3,16,19,20,27,28,32-heptazaheptacyclo[21.5.2.12,5.110,14.04,9.018,22.026,29]dotriaconta-1(28),2,4(9),5,7,10,12,14(31),18(22),20,23(30),24,26(29)-tridecaene;19-methyl-3,8,16,19,20,27,28,32-octazaheptacyclo[21.5.2.12,5.110,14.04,9.018,22.026,29]dotriaconta-1(28),2,4,6,8,10,12,14(31),18(22),20,23(30),24,26(29)-tridecaene

3,20,24,27,28,33-hexazaheptacyclo[21.5.2.12,5.110,14.118,22.04,9.026,29]tritriaconta-1(28),2,4(9),5,7,10,12,14(32),18(31),19,21,23,25,29-tetradecaene;3,20,27,28,30,33-hexazaheptacyclo[21.5.2.12,5.110,14.118,22.04,9.026,29]tritriaconta-1(28),2,4(9),5,7,10,12,14(32),18(31),19,21,23(30),24,26(29)-tetradecaene;19-methyl-3,16,19,20,27,28,32-heptazaheptacyclo[21.5.2.12,5.110,14.04,9.018,22.026,29]dotriaconta-1(28),2,4(9),5,7,10,12,14(31),18(22),20,23(30),24,26(29)-tridecaene;19-methyl-3,8,16,19,20,27,28,32-octazaheptacyclo[21.5.2.12,5.110,14.04,9.018,22.026,29]dotriaconta-1(28),2,4,6,8,10,12,14(31),18(22),20,23(30),24,26(29)-tridecaene (PubChem CID 157206457) has the molecular formula C105H81N27 and a molecular weight of 1720.99 g/mol. Its IUPAC name is 3,20,24,27,28,33-hexazaheptacyclo[21.5.2.12,5.110,14.118,22.04,9.026,29]tritriaconta-1(28),2,4(9),5,7,10,12,14(32),18(31),19,21,23,25,29-tetradecaene;3,20,27,28,30,33-hexazaheptacyclo[21.5.2.12,5.110,14.118,22.04,9.026,29]tritriaconta-1(28),2,4(9),5,7,10,12,14(32),18(31),19,21,23(30),24,26(29)-tetradecaene;19-methyl-3,16,19,20,27,28,32-heptazaheptacyclo[21.5.2.12,5.110,14.04,9.018,22.026,29]dotriaconta-1(28),2,4(9),5,7,10,12,14(31),18(22),20,23(30),24,26(29)-tridecaene;19-methyl-3,8,16,19,20,27,28,32-octazaheptacyclo[21.5.2.12,5.110,14.04,9.018,22.026,29]dotriaconta-1(28),2,4,6,8,10,12,14(31),18(22),20,23(30),24,26(29)-tridecaene.

Molecular Properties

Compound Name3,20,24,27,28,33-hexazaheptacyclo[21.5.2.12,5.110,14.118,22.04,9.026,29]tritriaconta-1(28),2,4(9),5,7,10,12,14(32),18(31),19,21,23,25,29-tetradecaene;3,20,27,28,30,33-hexazaheptacyclo[21.5.2.12,5.110,14.118,22.04,9.026,29]tritriaconta-1(28),2,4(9),5,7,10,12,14(32),18(31),19,21,23(30),24,26(29)-tetradecaene;19-methyl-3,16,19,20,27,28,32-heptazaheptacyclo[21.5.2.12,5.110,14.04,9.018,22.026,29]dotriaconta-1(28),2,4(9),5,7,10,12,14(31),18(22),20,23(30),24,26(29)-tridecaene;19-methyl-3,8,16,19,20,27,28,32-octazaheptacyclo[21.5.2.12,5.110,14.04,9.018,22.026,29]dotriaconta-1(28),2,4,6,8,10,12,14(31),18(22),20,23(30),24,26(29)-tridecaene
PubChem CID157206457
Molecular FormulaC105H81N27
Molecular Weight1720.99 g/mol
Exact Mass1719.72
IUPAC Name3,20,24,27,28,33-hexazaheptacyclo[21.5.2.12,5.110,14.118,22.04,9.026,29]tritriaconta-1(28),2,4(9),5,7,10,12,14(32),18(31),19,21,23,25,29-tetradecaene;3,20,27,28,30,33-hexazaheptacyclo[21.5.2.12,5.110,14.118,22.04,9.026,29]tritriaconta-1(28),2,4(9),5,7,10,12,14(32),18(31),19,21,23(30),24,26(29)-tetradecaene;19-methyl-3,16,19,20,27,28,32-heptazaheptacyclo[21.5.2.12,5.110,14.04,9.018,22.026,29]dotriaconta-1(28),2,4(9),5,7,10,12,14(31),18(22),20,23(30),24,26(29)-tridecaene;19-methyl-3,8,16,19,20,27,28,32-octazaheptacyclo[21.5.2.12,5.110,14.04,9.018,22.026,29]dotriaconta-1(28),2,4,6,8,10,12,14(31),18(22),20,23(30),24,26(29)-tridecaene
SMILESCn1ncc2c1CNCc1cccc(c1)-c1cccc3[nH]c(nc13)-c1n[nH]c3ccc-2cc13.Cn1ncc2c1CNCc1cccc(c1)-c1nccc3[nH]c(nc13)-c1n[nH]c3ccc-2cc13.c1cc2cc(c1)-c1cccc3[nH]c(nc13)-c1n[nH]c3ccc(nc13)-c1cncc(c1)CCC2.c1cc2cc(c1)-c1cccc3[nH]c(nc13)-c1n[nH]c3cnc(cc13)-c1cncc(c1)CCC2
InChIInChI=1S/2C27H20N6.C26H21N7.C25H20N8/c1-4-16-5-2-7-18(10-16)20-8-3-9-22-25(20)31-27(30-22)26-21-12-23(29-15-24(21)32-33-26)19-11-17(6-1)13-28-14-19;1-4-16-5-2-7-18(12-16)20-8-3-9-22-24(20)31-27(30-22)26-25-23(32-33-26)11-10-21(29-25)19-13-17(6-1)14-28-15-19;1-33-23-14-27-12-15-4-2-5-16(10-15)18-6-3-7-22-24(18)30-26(29-22)25-19-11-17(20(23)13-28-33)8-9-21(19)31-32-25;1-33-21-13-26-11-14-3-2-4-16(9-14)22-24-20(7-8-27-22)29-25(30-24)23-17-10-15(18(21)12-28-33)5-6-19(17)31-32-23/h2*2-3,5,7-15H,1,4,6H2,(H,30,31)(H,32,33);2-11,13,27H,12,14H2,1H3,(H,29,30)(H,31,32);2-10,12,26H,11,13H2,1H3,(H,29,30)(H,31,32)
InChIKeyARKKDBDVJIWSJO-UHFFFAOYSA-N
XLogP20.39
TPSA353.59 Ų
H-Bond Donors10
H-Bond Acceptors19
Rotatable Bonds
Heavy Atoms132
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001720.99
LogP ≤ 520.39
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1019

Analyze 3,20,24,27,28,33-hexazaheptacyclo[21.5.2.12,5.110,14.118,22.04,9.026,29]tritriaconta-1(28),2,4(9),5,7,10,12,14(32),18(31),19,21,23,25,29-tetradecaene;3,20,27,28,30,33-hexazaheptacyclo[21.5.2.12,5.110,14.118,22.04,9.026,29]tritriaconta-1(28),2,4(9),5,7,10,12,14(32),18(31),19,21,23(30),24,26(29)-tetradecaene;19-methyl-3,16,19,20,27,28,32-heptazaheptacyclo[21.5.2.12,5.110,14.04,9.018,22.026,29]dotriaconta-1(28),2,4(9),5,7,10,12,14(31),18(22),20,23(30),24,26(29)-tridecaene;19-methyl-3,8,16,19,20,27,28,32-octazaheptacyclo[21.5.2.12,5.110,14.04,9.018,22.026,29]dotriaconta-1(28),2,4,6,8,10,12,14(31),18(22),20,23(30),24,26(29)-tridecaene with MolForge

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Related Compounds

Ag-24322
CID 135413565
3-(1h-Indazol-4-yl)-7-(2-methyl-4-((1s,4s)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836427
7-(2-Fluoro-4-((1s,4s)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-3-(1h-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
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3-(1H-indazol-4-yl)-7-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)naphthalen-1-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
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CID 49837301
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CID 49836646
7-(3-fluoro-4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-3-(1H-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
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3-(1H-indazol-4-yl)-7-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-(trifluoromethyl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
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CID 52949635

Frequently Asked Questions

What is the IUPAC name of 3,20,24,27,28,33-hexazaheptacyclo[21.5.2.12,5.110,14.118,22.04,9.026,29]tritriaconta-1(28),2,4(9),5,7,10,12,14(32),18(31),19,21,23,25,29-tetradecaene;3,20,27,28,30,33-hexazaheptacyclo[21.5.2.12,5.110,14.118,22.04,9.026,29]tritriaconta-1(28),2,4(9),5,7,10,12,14(32),18(31),19,21,23(30),24,26(29)-tetradecaene;19-methyl-3,16,19,20,27,28,32-heptazaheptacyclo[21.5.2.12,5.110,14.04,9.018,22.026,29]dotriaconta-1(28),2,4(9),5,7,10,12,14(31),18(22),20,23(30),24,26(29)-tridecaene;19-methyl-3,8,16,19,20,27,28,32-octazaheptacyclo[21.5.2.12,5.110,14.04,9.018,22.026,29]dotriaconta-1(28),2,4,6,8,10,12,14(31),18(22),20,23(30),24,26(29)-tridecaene?
The IUPAC name of 3,20,24,27,28,33-hexazaheptacyclo[21.5.2.12,5.110,14.118,22.04,9.026,29]tritriaconta-1(28),2,4(9),5,7,10,12,14(32),18(31),19,21,23,25,29-tetradecaene;3,20,27,28,30,33-hexazaheptacyclo[21.5.2.12,5.110,14.118,22.04,9.026,29]tritriaconta-1(28),2,4(9),5,7,10,12,14(32),18(31),19,21,23(30),24,26(29)-tetradecaene;19-methyl-3,16,19,20,27,28,32-heptazaheptacyclo[21.5.2.12,5.110,14.04,9.018,22.026,29]dotriaconta-1(28),2,4(9),5,7,10,12,14(31),18(22),20,23(30),24,26(29)-tridecaene;19-methyl-3,8,16,19,20,27,28,32-octazaheptacyclo[21.5.2.12,5.110,14.04,9.018,22.026,29]dotriaconta-1(28),2,4,6,8,10,12,14(31),18(22),20,23(30),24,26(29)-tridecaene (CID 157206457) is 3,20,24,27,28,33-hexazaheptacyclo[21.5.2.12,5.110,14.118,22.04,9.026,29]tritriaconta-1(28),2,4(9),5,7,10,12,14(32),18(31),19,21,23,25,29-tetradecaene;3,20,27,28,30,33-hexazaheptacyclo[21.5.2.12,5.110,14.118,22.04,9.026,29]tritriaconta-1(28),2,4(9),5,7,10,12,14(32),18(31),19,21,23(30),24,26(29)-tetradecaene;19-methyl-3,16,19,20,27,28,32-heptazaheptacyclo[21.5.2.12,5.110,14.04,9.018,22.026,29]dotriaconta-1(28),2,4(9),5,7,10,12,14(31),18(22),20,23(30),24,26(29)-tridecaene;19-methyl-3,8,16,19,20,27,28,32-octazaheptacyclo[21.5.2.12,5.110,14.04,9.018,22.026,29]dotriaconta-1(28),2,4,6,8,10,12,14(31),18(22),20,23(30),24,26(29)-tridecaene.
What is the SMILES notation for 3,20,24,27,28,33-hexazaheptacyclo[21.5.2.12,5.110,14.118,22.04,9.026,29]tritriaconta-1(28),2,4(9),5,7,10,12,14(32),18(31),19,21,23,25,29-tetradecaene;3,20,27,28,30,33-hexazaheptacyclo[21.5.2.12,5.110,14.118,22.04,9.026,29]tritriaconta-1(28),2,4(9),5,7,10,12,14(32),18(31),19,21,23(30),24,26(29)-tetradecaene;19-methyl-3,16,19,20,27,28,32-heptazaheptacyclo[21.5.2.12,5.110,14.04,9.018,22.026,29]dotriaconta-1(28),2,4(9),5,7,10,12,14(31),18(22),20,23(30),24,26(29)-tridecaene;19-methyl-3,8,16,19,20,27,28,32-octazaheptacyclo[21.5.2.12,5.110,14.04,9.018,22.026,29]dotriaconta-1(28),2,4,6,8,10,12,14(31),18(22),20,23(30),24,26(29)-tridecaene?
The canonical SMILES for 3,20,24,27,28,33-hexazaheptacyclo[21.5.2.12,5.110,14.118,22.04,9.026,29]tritriaconta-1(28),2,4(9),5,7,10,12,14(32),18(31),19,21,23,25,29-tetradecaene;3,20,27,28,30,33-hexazaheptacyclo[21.5.2.12,5.110,14.118,22.04,9.026,29]tritriaconta-1(28),2,4(9),5,7,10,12,14(32),18(31),19,21,23(30),24,26(29)-tetradecaene;19-methyl-3,16,19,20,27,28,32-heptazaheptacyclo[21.5.2.12,5.110,14.04,9.018,22.026,29]dotriaconta-1(28),2,4(9),5,7,10,12,14(31),18(22),20,23(30),24,26(29)-tridecaene;19-methyl-3,8,16,19,20,27,28,32-octazaheptacyclo[21.5.2.12,5.110,14.04,9.018,22.026,29]dotriaconta-1(28),2,4,6,8,10,12,14(31),18(22),20,23(30),24,26(29)-tridecaene is Cn1ncc2c1CNCc1cccc(c1)-c1cccc3[nH]c(nc13)-c1n[nH]c3ccc-2cc13.Cn1ncc2c1CNCc1cccc(c1)-c1nccc3[nH]c(nc13)-c1n[nH]c3ccc-2cc13.c1cc2cc(c1)-c1cccc3[nH]c(nc13)-c1n[nH]c3ccc(nc13)-c1cncc(c1)CCC2.c1cc2cc(c1)-c1cccc3[nH]c(nc13)-c1n[nH]c3cnc(cc13)-c1cncc(c1)CCC2.
What is the InChIKey of 3,20,24,27,28,33-hexazaheptacyclo[21.5.2.12,5.110,14.118,22.04,9.026,29]tritriaconta-1(28),2,4(9),5,7,10,12,14(32),18(31),19,21,23,25,29-tetradecaene;3,20,27,28,30,33-hexazaheptacyclo[21.5.2.12,5.110,14.118,22.04,9.026,29]tritriaconta-1(28),2,4(9),5,7,10,12,14(32),18(31),19,21,23(30),24,26(29)-tetradecaene;19-methyl-3,16,19,20,27,28,32-heptazaheptacyclo[21.5.2.12,5.110,14.04,9.018,22.026,29]dotriaconta-1(28),2,4(9),5,7,10,12,14(31),18(22),20,23(30),24,26(29)-tridecaene;19-methyl-3,8,16,19,20,27,28,32-octazaheptacyclo[21.5.2.12,5.110,14.04,9.018,22.026,29]dotriaconta-1(28),2,4,6,8,10,12,14(31),18(22),20,23(30),24,26(29)-tridecaene?
The InChIKey is ARKKDBDVJIWSJO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H20N6.C26H21N7.C25H20N8/c1-4-16-5-2-7-18(10-16)20-8-3-9-22-25(20)31-27(30-22)26-21-12-23(29-15-24(21)32-33-26)19-11-17(6-1)13-28-14-19;1-4-16-5-2-7-18(12-16)20-8-3-9-22-24(20)31-27(30-22)26-25-23(32-33-26)11-10-21(29-25)19-13-17(6-1)14-28-15-19;1-33-23-14-27-12-15-4-2-5-16(10-15)18-6-3-7-22-24(18)30-26(29-22)25-19-11-17(20(23)13-28-33)8-9-21(19)31-32-25;1-33-21-13-26-11-14-3-2-4-16(9-14)22-24-20(7-8-27-22)29-25(30-24)23-17-10-15(18(21)12-28-33)5-6-19(17)31-32-23/h2*2-3,5,7-15H,1,4,6H2,(H,30,31)(H,32,33);2-11,13,27H,12,14H2,1H3,(H,29,30)(H,31,32);2-10,12,26H,11,13H2,1H3,(H,29,30)(H,31,32).
What are the key properties of 3,20,24,27,28,33-hexazaheptacyclo[21.5.2.12,5.110,14.118,22.04,9.026,29]tritriaconta-1(28),2,4(9),5,7,10,12,14(32),18(31),19,21,23,25,29-tetradecaene;3,20,27,28,30,33-hexazaheptacyclo[21.5.2.12,5.110,14.118,22.04,9.026,29]tritriaconta-1(28),2,4(9),5,7,10,12,14(32),18(31),19,21,23(30),24,26(29)-tetradecaene;19-methyl-3,16,19,20,27,28,32-heptazaheptacyclo[21.5.2.12,5.110,14.04,9.018,22.026,29]dotriaconta-1(28),2,4(9),5,7,10,12,14(31),18(22),20,23(30),24,26(29)-tridecaene;19-methyl-3,8,16,19,20,27,28,32-octazaheptacyclo[21.5.2.12,5.110,14.04,9.018,22.026,29]dotriaconta-1(28),2,4,6,8,10,12,14(31),18(22),20,23(30),24,26(29)-tridecaene?
3,20,24,27,28,33-hexazaheptacyclo[21.5.2.12,5.110,14.118,22.04,9.026,29]tritriaconta-1(28),2,4(9),5,7,10,12,14(32),18(31),19,21,23,25,29-tetradecaene;3,20,27,28,30,33-hexazaheptacyclo[21.5.2.12,5.110,14.118,22.04,9.026,29]tritriaconta-1(28),2,4(9),5,7,10,12,14(32),18(31),19,21,23(30),24,26(29)-tetradecaene;19-methyl-3,16,19,20,27,28,32-heptazaheptacyclo[21.5.2.12,5.110,14.04,9.018,22.026,29]dotriaconta-1(28),2,4(9),5,7,10,12,14(31),18(22),20,23(30),24,26(29)-tridecaene;19-methyl-3,8,16,19,20,27,28,32-octazaheptacyclo[21.5.2.12,5.110,14.04,9.018,22.026,29]dotriaconta-1(28),2,4,6,8,10,12,14(31),18(22),20,23(30),24,26(29)-tridecaene has a molecular weight of 1720.99 g/mol, XLogP of 20.39, 0 rotatable bonds, 10 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 3,20,24,27,28,33-hexazaheptacyclo[21.5.2.12,5.110,14.118,22.04,9.026,29]tritriaconta-1(28),2,4(9),5,7,10,12,14(32),18(31),19,21,23,25,29-tetradecaene;3,20,27,28,30,33-hexazaheptacyclo[21.5.2.12,5.110,14.118,22.04,9.026,29]tritriaconta-1(28),2,4(9),5,7,10,12,14(32),18(31),19,21,23(30),24,26(29)-tetradecaene;19-methyl-3,16,19,20,27,28,32-heptazaheptacyclo[21.5.2.12,5.110,14.04,9.018,22.026,29]dotriaconta-1(28),2,4(9),5,7,10,12,14(31),18(22),20,23(30),24,26(29)-tridecaene;19-methyl-3,8,16,19,20,27,28,32-octazaheptacyclo[21.5.2.12,5.110,14.04,9.018,22.026,29]dotriaconta-1(28),2,4,6,8,10,12,14(31),18(22),20,23(30),24,26(29)-tridecaene is sourced from PubChem (CID 157206457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).