12,12,26,29,29,31-hexamethyl-38,39-dioxa-2,4,10,15,21,23-hexaza-12,29-disilanonacyclo[28.2.2.224,27.12,5.18,11.114,17.116,20.09,40.023,37]tetraconta-1(32),3,5(40),6,8,10,14,16,18,20(37),21,24,26,30,33,35-hexadecaene;12,12,29,29-tetramethyl-38,39-dioxa-2,4,6,7,10,15,18,19,21,23-decaza-12,29-disilanonacyclo[28.2.2.224,27.12,5.18,11.114,17.116,20.09,40.023,37]tetraconta-1(32),3,5,7,9(40),10,14,16(37),17,19,21,24,26,30,33,35-hexadecaene;12,12,33,33-tetramethyl-46,47-dioxa-2,4,10,15,21,23-hexaza-12,33-disilaundecacyclo[32.6.2.224,31.12,5.18,11.114,17.116,20.025,30.035,40.09,48.023,45]octatetraconta-1(41),3,5(48),6,8,10,14,16,18,20(45),21,24(44),25,27,29,31(43),34(42),35,37,39-icosaene;12,12,29,29-tetramethyl-38,39-dioxa-2,4,7,10,15,18,21,23-octaza-12,29-disilanonacyclo[28.2.2.224,27.12,5.18,11.114,17.116,20.09,40.023,37]tetraconta-1(32),3,5,7,9(40),10,14,16(37),17,19,21,24,26,30,33,35-hexadecaene

C140H122N30O8Si8 — CID 158666054

IUPAC12,12,26,29,29,31-hexamethyl-38,39-dioxa-2,4,10,15,21,23-hexaza-12,29-disilanonacyclo[28.2.2.224,27.12,5.18,11.114,17.116,20.09,40.023,37]tetraconta-1(32),3,5(40),6,8,10,14,16,18,20(37),21,24,26,30,33,35-hexadecaene;12,12,29,29-tetramethyl-38,39-dioxa-2,4,6,7,10,15,18,19,21,23-decaza-12,29-disilanonacyclo[28.2.2.224,27.12,5.18,11.114,17.116,20.09,40.023,37]tetraconta-1(32),3,5,7,9(40),10,14,16(37),17,19,21,24,26,30,33,35-hexadecaene;12,12,33,33-tetramethyl-46,47-dioxa-2,4,10,15,21,23-hexaza-12,33-disilaundecacyclo[32.6.2.224,31.12,5.18,11.114,17.116,20.025,30.035,40.09,48.023,45]octatetraconta-1(41),3,5(48),6,8,10,14,16,18,20(45),21,24(44),25,27,29,31(43),34(42),35,37,39-icosaene;12,12,29,29-tetramethyl-38,39-dioxa-2,4,7,10,15,18,21,23-octaza-12,29-disilanonacyclo[28.2.2.224,27.12,5.18,11.114,17.116,20.09,40.023,37]tetraconta-1(32),3,5,7,9(40),10,14,16(37),17,19,21,24,26,30,33,35-hexadecaene
SMILESC[Si]1(C)Cc2ccc(cc2)-n2cnc3cnc4oc(nc4c32)C[Si](C)(C)c2nc3c(ncc4ncn(c43)-c3ccc1cc3)o2.C[Si]1(C)Cc2ccc(cc2)-n2cnc3nnc4oc(nc4c32)C[Si](C)(C)c2nc3c(nnc4ncn(c43)-c3ccc1cc3)o2.C[Si]1(C)Cc2nc3c(ccc4ncn(c43)-c3ccc(c4ccccc34)C[Si](C)(C)c3ccc(c4ccccc34)-n3cnc4ccc5oc1nc5c43)o2.Cc1cc2ccc1C[Si](C)(C)c1ccc(cc1C)-n1cnc3ccc4oc(nc4c31)[Si](C)(C)Cc1nc3c(ccc4ncn-2c43)o1
InChIInChI=1S/C42H34N6O2Si2.C36H34N6O2Si2.C32H28N8O2Si2.C30H26N10O2Si2/c1-51(2)21-25-13-16-32(27-10-6-5-9-26(25)27)47-23-43-30-14-18-34-38(40(30)47)45-37(49-34)22-52(3,4)42-46-39-35(50-42)19-15-31-41(39)48(24-44-31)33-17-20-36(51)29-12-8-7-11-28(29)33;1-21-15-24-8-7-23(21)17-45(3,4)30-14-9-25(16-22(30)2)42-20-38-27-11-13-29-33(35(27)42)40-36(44-29)46(5,6)18-31-39-32-28(43-31)12-10-26-34(32)41(24)19-37-26;1-43(2)15-19-5-7-20(8-6-19)39-17-35-23-13-33-30-26(28(23)39)37-25(41-30)16-44(3,4)32-38-27-29-24(14-34-31(27)42-32)36-18-40(29)21-9-11-22(43)12-10-21;1-43(2)13-17-5-7-18(8-6-17)39-15-31-26-24(39)22-28(37-35-26)41-21(33-22)14-44(3,4)30-34-23-25-27(36-38-29(23)42-30)32-16-40(25)19-9-11-20(43)12-10-19/h5-20,23-24H,21-22H2,1-4H3;7-16,19-20H,17-18H2,1-6H3;5-14,17-18H,15-16H2,1-4H3;5-12,15-16H,13-14H2,1-4H3
InChIKeyIDJFALRJJVQMII-UHFFFAOYSA-N
MW2577.41 g/mol
LogP24.71
Rot. Bonds

About 12,12,26,29,29,31-hexamethyl-38,39-dioxa-2,4,10,15,21,23-hexaza-12,29-disilanonacyclo[28.2.2.224,27.12,5.18,11.114,17.116,20.09,40.023,37]tetraconta-1(32),3,5(40),6,8,10,14,16,18,20(37),21,24,26,30,33,35-hexadecaene;12,12,29,29-tetramethyl-38,39-dioxa-2,4,6,7,10,15,18,19,21,23-decaza-12,29-disilanonacyclo[28.2.2.224,27.12,5.18,11.114,17.116,20.09,40.023,37]tetraconta-1(32),3,5,7,9(40),10,14,16(37),17,19,21,24,26,30,33,35-hexadecaene;12,12,33,33-tetramethyl-46,47-dioxa-2,4,10,15,21,23-hexaza-12,33-disilaundecacyclo[32.6.2.224,31.12,5.18,11.114,17.116,20.025,30.035,40.09,48.023,45]octatetraconta-1(41),3,5(48),6,8,10,14,16,18,20(45),21,24(44),25,27,29,31(43),34(42),35,37,39-icosaene;12,12,29,29-tetramethyl-38,39-dioxa-2,4,7,10,15,18,21,23-octaza-12,29-disilanonacyclo[28.2.2.224,27.12,5.18,11.114,17.116,20.09,40.023,37]tetraconta-1(32),3,5,7,9(40),10,14,16(37),17,19,21,24,26,30,33,35-hexadecaene

12,12,26,29,29,31-hexamethyl-38,39-dioxa-2,4,10,15,21,23-hexaza-12,29-disilanonacyclo[28.2.2.224,27.12,5.18,11.114,17.116,20.09,40.023,37]tetraconta-1(32),3,5(40),6,8,10,14,16,18,20(37),21,24,26,30,33,35-hexadecaene;12,12,29,29-tetramethyl-38,39-dioxa-2,4,6,7,10,15,18,19,21,23-decaza-12,29-disilanonacyclo[28.2.2.224,27.12,5.18,11.114,17.116,20.09,40.023,37]tetraconta-1(32),3,5,7,9(40),10,14,16(37),17,19,21,24,26,30,33,35-hexadecaene;12,12,33,33-tetramethyl-46,47-dioxa-2,4,10,15,21,23-hexaza-12,33-disilaundecacyclo[32.6.2.224,31.12,5.18,11.114,17.116,20.025,30.035,40.09,48.023,45]octatetraconta-1(41),3,5(48),6,8,10,14,16,18,20(45),21,24(44),25,27,29,31(43),34(42),35,37,39-icosaene;12,12,29,29-tetramethyl-38,39-dioxa-2,4,7,10,15,18,21,23-octaza-12,29-disilanonacyclo[28.2.2.224,27.12,5.18,11.114,17.116,20.09,40.023,37]tetraconta-1(32),3,5,7,9(40),10,14,16(37),17,19,21,24,26,30,33,35-hexadecaene (PubChem CID 158666054) has the molecular formula C140H122N30O8Si8 and a molecular weight of 2577.41 g/mol. Its IUPAC name is 12,12,26,29,29,31-hexamethyl-38,39-dioxa-2,4,10,15,21,23-hexaza-12,29-disilanonacyclo[28.2.2.224,27.12,5.18,11.114,17.116,20.09,40.023,37]tetraconta-1(32),3,5(40),6,8,10,14,16,18,20(37),21,24,26,30,33,35-hexadecaene;12,12,29,29-tetramethyl-38,39-dioxa-2,4,6,7,10,15,18,19,21,23-decaza-12,29-disilanonacyclo[28.2.2.224,27.12,5.18,11.114,17.116,20.09,40.023,37]tetraconta-1(32),3,5,7,9(40),10,14,16(37),17,19,21,24,26,30,33,35-hexadecaene;12,12,33,33-tetramethyl-46,47-dioxa-2,4,10,15,21,23-hexaza-12,33-disilaundecacyclo[32.6.2.224,31.12,5.18,11.114,17.116,20.025,30.035,40.09,48.023,45]octatetraconta-1(41),3,5(48),6,8,10,14,16,18,20(45),21,24(44),25,27,29,31(43),34(42),35,37,39-icosaene;12,12,29,29-tetramethyl-38,39-dioxa-2,4,7,10,15,18,21,23-octaza-12,29-disilanonacyclo[28.2.2.224,27.12,5.18,11.114,17.116,20.09,40.023,37]tetraconta-1(32),3,5,7,9(40),10,14,16(37),17,19,21,24,26,30,33,35-hexadecaene.

Molecular Properties

Compound Name12,12,26,29,29,31-hexamethyl-38,39-dioxa-2,4,10,15,21,23-hexaza-12,29-disilanonacyclo[28.2.2.224,27.12,5.18,11.114,17.116,20.09,40.023,37]tetraconta-1(32),3,5(40),6,8,10,14,16,18,20(37),21,24,26,30,33,35-hexadecaene;12,12,29,29-tetramethyl-38,39-dioxa-2,4,6,7,10,15,18,19,21,23-decaza-12,29-disilanonacyclo[28.2.2.224,27.12,5.18,11.114,17.116,20.09,40.023,37]tetraconta-1(32),3,5,7,9(40),10,14,16(37),17,19,21,24,26,30,33,35-hexadecaene;12,12,33,33-tetramethyl-46,47-dioxa-2,4,10,15,21,23-hexaza-12,33-disilaundecacyclo[32.6.2.224,31.12,5.18,11.114,17.116,20.025,30.035,40.09,48.023,45]octatetraconta-1(41),3,5(48),6,8,10,14,16,18,20(45),21,24(44),25,27,29,31(43),34(42),35,37,39-icosaene;12,12,29,29-tetramethyl-38,39-dioxa-2,4,7,10,15,18,21,23-octaza-12,29-disilanonacyclo[28.2.2.224,27.12,5.18,11.114,17.116,20.09,40.023,37]tetraconta-1(32),3,5,7,9(40),10,14,16(37),17,19,21,24,26,30,33,35-hexadecaene
PubChem CID158666054
Molecular FormulaC140H122N30O8Si8
Molecular Weight2577.41 g/mol
Exact Mass2574.82
IUPAC Name12,12,26,29,29,31-hexamethyl-38,39-dioxa-2,4,10,15,21,23-hexaza-12,29-disilanonacyclo[28.2.2.224,27.12,5.18,11.114,17.116,20.09,40.023,37]tetraconta-1(32),3,5(40),6,8,10,14,16,18,20(37),21,24,26,30,33,35-hexadecaene;12,12,29,29-tetramethyl-38,39-dioxa-2,4,6,7,10,15,18,19,21,23-decaza-12,29-disilanonacyclo[28.2.2.224,27.12,5.18,11.114,17.116,20.09,40.023,37]tetraconta-1(32),3,5,7,9(40),10,14,16(37),17,19,21,24,26,30,33,35-hexadecaene;12,12,33,33-tetramethyl-46,47-dioxa-2,4,10,15,21,23-hexaza-12,33-disilaundecacyclo[32.6.2.224,31.12,5.18,11.114,17.116,20.025,30.035,40.09,48.023,45]octatetraconta-1(41),3,5(48),6,8,10,14,16,18,20(45),21,24(44),25,27,29,31(43),34(42),35,37,39-icosaene;12,12,29,29-tetramethyl-38,39-dioxa-2,4,7,10,15,18,21,23-octaza-12,29-disilanonacyclo[28.2.2.224,27.12,5.18,11.114,17.116,20.09,40.023,37]tetraconta-1(32),3,5,7,9(40),10,14,16(37),17,19,21,24,26,30,33,35-hexadecaene
SMILESC[Si]1(C)Cc2ccc(cc2)-n2cnc3cnc4oc(nc4c32)C[Si](C)(C)c2nc3c(ncc4ncn(c43)-c3ccc1cc3)o2.C[Si]1(C)Cc2ccc(cc2)-n2cnc3nnc4oc(nc4c32)C[Si](C)(C)c2nc3c(nnc4ncn(c43)-c3ccc1cc3)o2.C[Si]1(C)Cc2nc3c(ccc4ncn(c43)-c3ccc(c4ccccc34)C[Si](C)(C)c3ccc(c4ccccc34)-n3cnc4ccc5oc1nc5c43)o2.Cc1cc2ccc1C[Si](C)(C)c1ccc(cc1C)-n1cnc3ccc4oc(nc4c31)[Si](C)(C)Cc1nc3c(ccc4ncn-2c43)o1
InChIInChI=1S/C42H34N6O2Si2.C36H34N6O2Si2.C32H28N8O2Si2.C30H26N10O2Si2/c1-51(2)21-25-13-16-32(27-10-6-5-9-26(25)27)47-23-43-30-14-18-34-38(40(30)47)45-37(49-34)22-52(3,4)42-46-39-35(50-42)19-15-31-41(39)48(24-44-31)33-17-20-36(51)29-12-8-7-11-28(29)33;1-21-15-24-8-7-23(21)17-45(3,4)30-14-9-25(16-22(30)2)42-20-38-27-11-13-29-33(35(27)42)40-36(44-29)46(5,6)18-31-39-32-28(43-31)12-10-26-34(32)41(24)19-37-26;1-43(2)15-19-5-7-20(8-6-19)39-17-35-23-13-33-30-26(28(23)39)37-25(41-30)16-44(3,4)32-38-27-29-24(14-34-31(27)42-32)36-18-40(29)21-9-11-22(43)12-10-21;1-43(2)13-17-5-7-18(8-6-17)39-15-31-26-24(39)22-28(37-35-26)41-21(33-22)14-44(3,4)30-34-23-25-27(36-38-29(23)42-30)32-16-40(25)19-9-11-20(43)12-10-19/h5-20,23-24H,21-22H2,1-4H3;7-16,19-20H,17-18H2,1-6H3;5-14,17-18H,15-16H2,1-4H3;5-12,15-16H,13-14H2,1-4H3
InChIKeyIDJFALRJJVQMII-UHFFFAOYSA-N
XLogP24.71
TPSA428.14 Ų
H-Bond Donors
H-Bond Acceptors38
Rotatable Bonds
Heavy Atoms186
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002577.41
LogP ≤ 524.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

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

Analyze 12,12,26,29,29,31-hexamethyl-38,39-dioxa-2,4,10,15,21,23-hexaza-12,29-disilanonacyclo[28.2.2.224,27.12,5.18,11.114,17.116,20.09,40.023,37]tetraconta-1(32),3,5(40),6,8,10,14,16,18,20(37),21,24,26,30,33,35-hexadecaene;12,12,29,29-tetramethyl-38,39-dioxa-2,4,6,7,10,15,18,19,21,23-decaza-12,29-disilanonacyclo[28.2.2.224,27.12,5.18,11.114,17.116,20.09,40.023,37]tetraconta-1(32),3,5,7,9(40),10,14,16(37),17,19,21,24,26,30,33,35-hexadecaene;12,12,33,33-tetramethyl-46,47-dioxa-2,4,10,15,21,23-hexaza-12,33-disilaundecacyclo[32.6.2.224,31.12,5.18,11.114,17.116,20.025,30.035,40.09,48.023,45]octatetraconta-1(41),3,5(48),6,8,10,14,16,18,20(45),21,24(44),25,27,29,31(43),34(42),35,37,39-icosaene;12,12,29,29-tetramethyl-38,39-dioxa-2,4,7,10,15,18,21,23-octaza-12,29-disilanonacyclo[28.2.2.224,27.12,5.18,11.114,17.116,20.09,40.023,37]tetraconta-1(32),3,5,7,9(40),10,14,16(37),17,19,21,24,26,30,33,35-hexadecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 12,12,26,29,29,31-hexamethyl-38,39-dioxa-2,4,10,15,21,23-hexaza-12,29-disilanonacyclo[28.2.2.224,27.12,5.18,11.114,17.116,20.09,40.023,37]tetraconta-1(32),3,5(40),6,8,10,14,16,18,20(37),21,24,26,30,33,35-hexadecaene;12,12,29,29-tetramethyl-38,39-dioxa-2,4,6,7,10,15,18,19,21,23-decaza-12,29-disilanonacyclo[28.2.2.224,27.12,5.18,11.114,17.116,20.09,40.023,37]tetraconta-1(32),3,5,7,9(40),10,14,16(37),17,19,21,24,26,30,33,35-hexadecaene;12,12,33,33-tetramethyl-46,47-dioxa-2,4,10,15,21,23-hexaza-12,33-disilaundecacyclo[32.6.2.224,31.12,5.18,11.114,17.116,20.025,30.035,40.09,48.023,45]octatetraconta-1(41),3,5(48),6,8,10,14,16,18,20(45),21,24(44),25,27,29,31(43),34(42),35,37,39-icosaene;12,12,29,29-tetramethyl-38,39-dioxa-2,4,7,10,15,18,21,23-octaza-12,29-disilanonacyclo[28.2.2.224,27.12,5.18,11.114,17.116,20.09,40.023,37]tetraconta-1(32),3,5,7,9(40),10,14,16(37),17,19,21,24,26,30,33,35-hexadecaene?
The IUPAC name of 12,12,26,29,29,31-hexamethyl-38,39-dioxa-2,4,10,15,21,23-hexaza-12,29-disilanonacyclo[28.2.2.224,27.12,5.18,11.114,17.116,20.09,40.023,37]tetraconta-1(32),3,5(40),6,8,10,14,16,18,20(37),21,24,26,30,33,35-hexadecaene;12,12,29,29-tetramethyl-38,39-dioxa-2,4,6,7,10,15,18,19,21,23-decaza-12,29-disilanonacyclo[28.2.2.224,27.12,5.18,11.114,17.116,20.09,40.023,37]tetraconta-1(32),3,5,7,9(40),10,14,16(37),17,19,21,24,26,30,33,35-hexadecaene;12,12,33,33-tetramethyl-46,47-dioxa-2,4,10,15,21,23-hexaza-12,33-disilaundecacyclo[32.6.2.224,31.12,5.18,11.114,17.116,20.025,30.035,40.09,48.023,45]octatetraconta-1(41),3,5(48),6,8,10,14,16,18,20(45),21,24(44),25,27,29,31(43),34(42),35,37,39-icosaene;12,12,29,29-tetramethyl-38,39-dioxa-2,4,7,10,15,18,21,23-octaza-12,29-disilanonacyclo[28.2.2.224,27.12,5.18,11.114,17.116,20.09,40.023,37]tetraconta-1(32),3,5,7,9(40),10,14,16(37),17,19,21,24,26,30,33,35-hexadecaene (CID 158666054) is 12,12,26,29,29,31-hexamethyl-38,39-dioxa-2,4,10,15,21,23-hexaza-12,29-disilanonacyclo[28.2.2.224,27.12,5.18,11.114,17.116,20.09,40.023,37]tetraconta-1(32),3,5(40),6,8,10,14,16,18,20(37),21,24,26,30,33,35-hexadecaene;12,12,29,29-tetramethyl-38,39-dioxa-2,4,6,7,10,15,18,19,21,23-decaza-12,29-disilanonacyclo[28.2.2.224,27.12,5.18,11.114,17.116,20.09,40.023,37]tetraconta-1(32),3,5,7,9(40),10,14,16(37),17,19,21,24,26,30,33,35-hexadecaene;12,12,33,33-tetramethyl-46,47-dioxa-2,4,10,15,21,23-hexaza-12,33-disilaundecacyclo[32.6.2.224,31.12,5.18,11.114,17.116,20.025,30.035,40.09,48.023,45]octatetraconta-1(41),3,5(48),6,8,10,14,16,18,20(45),21,24(44),25,27,29,31(43),34(42),35,37,39-icosaene;12,12,29,29-tetramethyl-38,39-dioxa-2,4,7,10,15,18,21,23-octaza-12,29-disilanonacyclo[28.2.2.224,27.12,5.18,11.114,17.116,20.09,40.023,37]tetraconta-1(32),3,5,7,9(40),10,14,16(37),17,19,21,24,26,30,33,35-hexadecaene.
What is the SMILES notation for 12,12,26,29,29,31-hexamethyl-38,39-dioxa-2,4,10,15,21,23-hexaza-12,29-disilanonacyclo[28.2.2.224,27.12,5.18,11.114,17.116,20.09,40.023,37]tetraconta-1(32),3,5(40),6,8,10,14,16,18,20(37),21,24,26,30,33,35-hexadecaene;12,12,29,29-tetramethyl-38,39-dioxa-2,4,6,7,10,15,18,19,21,23-decaza-12,29-disilanonacyclo[28.2.2.224,27.12,5.18,11.114,17.116,20.09,40.023,37]tetraconta-1(32),3,5,7,9(40),10,14,16(37),17,19,21,24,26,30,33,35-hexadecaene;12,12,33,33-tetramethyl-46,47-dioxa-2,4,10,15,21,23-hexaza-12,33-disilaundecacyclo[32.6.2.224,31.12,5.18,11.114,17.116,20.025,30.035,40.09,48.023,45]octatetraconta-1(41),3,5(48),6,8,10,14,16,18,20(45),21,24(44),25,27,29,31(43),34(42),35,37,39-icosaene;12,12,29,29-tetramethyl-38,39-dioxa-2,4,7,10,15,18,21,23-octaza-12,29-disilanonacyclo[28.2.2.224,27.12,5.18,11.114,17.116,20.09,40.023,37]tetraconta-1(32),3,5,7,9(40),10,14,16(37),17,19,21,24,26,30,33,35-hexadecaene?
The canonical SMILES for 12,12,26,29,29,31-hexamethyl-38,39-dioxa-2,4,10,15,21,23-hexaza-12,29-disilanonacyclo[28.2.2.224,27.12,5.18,11.114,17.116,20.09,40.023,37]tetraconta-1(32),3,5(40),6,8,10,14,16,18,20(37),21,24,26,30,33,35-hexadecaene;12,12,29,29-tetramethyl-38,39-dioxa-2,4,6,7,10,15,18,19,21,23-decaza-12,29-disilanonacyclo[28.2.2.224,27.12,5.18,11.114,17.116,20.09,40.023,37]tetraconta-1(32),3,5,7,9(40),10,14,16(37),17,19,21,24,26,30,33,35-hexadecaene;12,12,33,33-tetramethyl-46,47-dioxa-2,4,10,15,21,23-hexaza-12,33-disilaundecacyclo[32.6.2.224,31.12,5.18,11.114,17.116,20.025,30.035,40.09,48.023,45]octatetraconta-1(41),3,5(48),6,8,10,14,16,18,20(45),21,24(44),25,27,29,31(43),34(42),35,37,39-icosaene;12,12,29,29-tetramethyl-38,39-dioxa-2,4,7,10,15,18,21,23-octaza-12,29-disilanonacyclo[28.2.2.224,27.12,5.18,11.114,17.116,20.09,40.023,37]tetraconta-1(32),3,5,7,9(40),10,14,16(37),17,19,21,24,26,30,33,35-hexadecaene is C[Si]1(C)Cc2ccc(cc2)-n2cnc3cnc4oc(nc4c32)C[Si](C)(C)c2nc3c(ncc4ncn(c43)-c3ccc1cc3)o2.C[Si]1(C)Cc2ccc(cc2)-n2cnc3nnc4oc(nc4c32)C[Si](C)(C)c2nc3c(nnc4ncn(c43)-c3ccc1cc3)o2.C[Si]1(C)Cc2nc3c(ccc4ncn(c43)-c3ccc(c4ccccc34)C[Si](C)(C)c3ccc(c4ccccc34)-n3cnc4ccc5oc1nc5c43)o2.Cc1cc2ccc1C[Si](C)(C)c1ccc(cc1C)-n1cnc3ccc4oc(nc4c31)[Si](C)(C)Cc1nc3c(ccc4ncn-2c43)o1.
What is the InChIKey of 12,12,26,29,29,31-hexamethyl-38,39-dioxa-2,4,10,15,21,23-hexaza-12,29-disilanonacyclo[28.2.2.224,27.12,5.18,11.114,17.116,20.09,40.023,37]tetraconta-1(32),3,5(40),6,8,10,14,16,18,20(37),21,24,26,30,33,35-hexadecaene;12,12,29,29-tetramethyl-38,39-dioxa-2,4,6,7,10,15,18,19,21,23-decaza-12,29-disilanonacyclo[28.2.2.224,27.12,5.18,11.114,17.116,20.09,40.023,37]tetraconta-1(32),3,5,7,9(40),10,14,16(37),17,19,21,24,26,30,33,35-hexadecaene;12,12,33,33-tetramethyl-46,47-dioxa-2,4,10,15,21,23-hexaza-12,33-disilaundecacyclo[32.6.2.224,31.12,5.18,11.114,17.116,20.025,30.035,40.09,48.023,45]octatetraconta-1(41),3,5(48),6,8,10,14,16,18,20(45),21,24(44),25,27,29,31(43),34(42),35,37,39-icosaene;12,12,29,29-tetramethyl-38,39-dioxa-2,4,7,10,15,18,21,23-octaza-12,29-disilanonacyclo[28.2.2.224,27.12,5.18,11.114,17.116,20.09,40.023,37]tetraconta-1(32),3,5,7,9(40),10,14,16(37),17,19,21,24,26,30,33,35-hexadecaene?
The InChIKey is IDJFALRJJVQMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H34N6O2Si2.C36H34N6O2Si2.C32H28N8O2Si2.C30H26N10O2Si2/c1-51(2)21-25-13-16-32(27-10-6-5-9-26(25)27)47-23-43-30-14-18-34-38(40(30)47)45-37(49-34)22-52(3,4)42-46-39-35(50-42)19-15-31-41(39)48(24-44-31)33-17-20-36(51)29-12-8-7-11-28(29)33;1-21-15-24-8-7-23(21)17-45(3,4)30-14-9-25(16-22(30)2)42-20-38-27-11-13-29-33(35(27)42)40-36(44-29)46(5,6)18-31-39-32-28(43-31)12-10-26-34(32)41(24)19-37-26;1-43(2)15-19-5-7-20(8-6-19)39-17-35-23-13-33-30-26(28(23)39)37-25(41-30)16-44(3,4)32-38-27-29-24(14-34-31(27)42-32)36-18-40(29)21-9-11-22(43)12-10-21;1-43(2)13-17-5-7-18(8-6-17)39-15-31-26-24(39)22-28(37-35-26)41-21(33-22)14-44(3,4)30-34-23-25-27(36-38-29(23)42-30)32-16-40(25)19-9-11-20(43)12-10-19/h5-20,23-24H,21-22H2,1-4H3;7-16,19-20H,17-18H2,1-6H3;5-14,17-18H,15-16H2,1-4H3;5-12,15-16H,13-14H2,1-4H3.
What are the key properties of 12,12,26,29,29,31-hexamethyl-38,39-dioxa-2,4,10,15,21,23-hexaza-12,29-disilanonacyclo[28.2.2.224,27.12,5.18,11.114,17.116,20.09,40.023,37]tetraconta-1(32),3,5(40),6,8,10,14,16,18,20(37),21,24,26,30,33,35-hexadecaene;12,12,29,29-tetramethyl-38,39-dioxa-2,4,6,7,10,15,18,19,21,23-decaza-12,29-disilanonacyclo[28.2.2.224,27.12,5.18,11.114,17.116,20.09,40.023,37]tetraconta-1(32),3,5,7,9(40),10,14,16(37),17,19,21,24,26,30,33,35-hexadecaene;12,12,33,33-tetramethyl-46,47-dioxa-2,4,10,15,21,23-hexaza-12,33-disilaundecacyclo[32.6.2.224,31.12,5.18,11.114,17.116,20.025,30.035,40.09,48.023,45]octatetraconta-1(41),3,5(48),6,8,10,14,16,18,20(45),21,24(44),25,27,29,31(43),34(42),35,37,39-icosaene;12,12,29,29-tetramethyl-38,39-dioxa-2,4,7,10,15,18,21,23-octaza-12,29-disilanonacyclo[28.2.2.224,27.12,5.18,11.114,17.116,20.09,40.023,37]tetraconta-1(32),3,5,7,9(40),10,14,16(37),17,19,21,24,26,30,33,35-hexadecaene?
12,12,26,29,29,31-hexamethyl-38,39-dioxa-2,4,10,15,21,23-hexaza-12,29-disilanonacyclo[28.2.2.224,27.12,5.18,11.114,17.116,20.09,40.023,37]tetraconta-1(32),3,5(40),6,8,10,14,16,18,20(37),21,24,26,30,33,35-hexadecaene;12,12,29,29-tetramethyl-38,39-dioxa-2,4,6,7,10,15,18,19,21,23-decaza-12,29-disilanonacyclo[28.2.2.224,27.12,5.18,11.114,17.116,20.09,40.023,37]tetraconta-1(32),3,5,7,9(40),10,14,16(37),17,19,21,24,26,30,33,35-hexadecaene;12,12,33,33-tetramethyl-46,47-dioxa-2,4,10,15,21,23-hexaza-12,33-disilaundecacyclo[32.6.2.224,31.12,5.18,11.114,17.116,20.025,30.035,40.09,48.023,45]octatetraconta-1(41),3,5(48),6,8,10,14,16,18,20(45),21,24(44),25,27,29,31(43),34(42),35,37,39-icosaene;12,12,29,29-tetramethyl-38,39-dioxa-2,4,7,10,15,18,21,23-octaza-12,29-disilanonacyclo[28.2.2.224,27.12,5.18,11.114,17.116,20.09,40.023,37]tetraconta-1(32),3,5,7,9(40),10,14,16(37),17,19,21,24,26,30,33,35-hexadecaene has a molecular weight of 2577.41 g/mol, XLogP of 24.71, 0 rotatable bonds, 0 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 12,12,26,29,29,31-hexamethyl-38,39-dioxa-2,4,10,15,21,23-hexaza-12,29-disilanonacyclo[28.2.2.224,27.12,5.18,11.114,17.116,20.09,40.023,37]tetraconta-1(32),3,5(40),6,8,10,14,16,18,20(37),21,24,26,30,33,35-hexadecaene;12,12,29,29-tetramethyl-38,39-dioxa-2,4,6,7,10,15,18,19,21,23-decaza-12,29-disilanonacyclo[28.2.2.224,27.12,5.18,11.114,17.116,20.09,40.023,37]tetraconta-1(32),3,5,7,9(40),10,14,16(37),17,19,21,24,26,30,33,35-hexadecaene;12,12,33,33-tetramethyl-46,47-dioxa-2,4,10,15,21,23-hexaza-12,33-disilaundecacyclo[32.6.2.224,31.12,5.18,11.114,17.116,20.025,30.035,40.09,48.023,45]octatetraconta-1(41),3,5(48),6,8,10,14,16,18,20(45),21,24(44),25,27,29,31(43),34(42),35,37,39-icosaene;12,12,29,29-tetramethyl-38,39-dioxa-2,4,7,10,15,18,21,23-octaza-12,29-disilanonacyclo[28.2.2.224,27.12,5.18,11.114,17.116,20.09,40.023,37]tetraconta-1(32),3,5,7,9(40),10,14,16(37),17,19,21,24,26,30,33,35-hexadecaene is sourced from PubChem (CID 158666054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).