18,43-dimethyl-3,8,25,28,33,50-hexaoxa-15,40-diaza-18,43-digermapentadecacyclo[25.23.1.12,18.04,17.07,16.09,14.015,20.019,24.029,42.032,41.034,39.040,45.043,51.044,49.026,52]dopentaconta-1,4(17),5,7(16),9,11,13,19,21,23,26(52),27(51),29(42),30,32(41),34,36,38,44,46,48-henicosaene;13,19,24,38,40,42-hexakis-phenyl-13,19,24,38,40,42-hexaza-6,31-digermadodecacyclo[21.15.1.14,8.16,14.129,33.02,21.05,20.07,12.025,30.031,39.032,37.018,41]dotetraconta-1(39),2,4,7(12),8,10,14(41),15,17,20,22,25,27,29,32,34,36-heptadecaene;4,14,20,27,31,38-hexakis-phenyl-11,17,34,36-tetraoxa-20,38-diaza-4,27-digermaundecacyclo[17.15.1.12,6.14,12.125,29.03,18.05,10.021,26.027,35.028,33.016,37]octatriaconta-1,3(18),5,7,9,12(37),13,15,19(35),21(26),22,24,28,30,32-pentadecaene

C180H110Ge6N10O10 — CID 159296693

IUPAC18,43-dimethyl-3,8,25,28,33,50-hexaoxa-15,40-diaza-18,43-digermapentadecacyclo[25.23.1.12,18.04,17.07,16.09,14.015,20.019,24.029,42.032,41.034,39.040,45.043,51.044,49.026,52]dopentaconta-1,4(17),5,7(16),9,11,13,19,21,23,26(52),27(51),29(42),30,32(41),34,36,38,44,46,48-henicosaene;13,19,24,38,40,42-hexakis-phenyl-13,19,24,38,40,42-hexaza-6,31-digermadodecacyclo[21.15.1.14,8.16,14.129,33.02,21.05,20.07,12.025,30.031,39.032,37.018,41]dotetraconta-1(39),2,4,7(12),8,10,14(41),15,17,20,22,25,27,29,32,34,36-heptadecaene;4,14,20,27,31,38-hexakis-phenyl-11,17,34,36-tetraoxa-20,38-diaza-4,27-digermaundecacyclo[17.15.1.12,6.14,12.125,29.03,18.05,10.021,26.027,35.028,33.016,37]octatriaconta-1,3(18),5,7,9,12(37),13,15,19(35),21(26),22,24,28,30,32-pentadecaene
SMILESC[Ge]12c3c4cccc3N3c5ccccc5Oc5ccc(c1c53)Oc1c3c5c(c(c12)O4)Oc1ccc2c4c1[Ge]5(C)c1c(cccc1N4c1ccccc1O2)O3.c1ccc(-c2cc3c4c(c2)Oc2c5c6c(c7c2[Ge]4(c2ccccc2)c2c(cccc2N7c2ccccc2)O3)Oc2cc(-c3ccccc3)cc3c2[Ge]6(c2ccccc2)c2c(cccc2N5c2ccccc2)O3)cc1.c1ccc(N2c3cccc4c3[GeH]3c5c2cccc5N(c2ccccc2)c2c3c(cc3c5c6c(cc23)N(c2ccccc2)c2cccc3c2[GeH]6c2c(cccc2N5c2ccccc2)N3c2ccccc2)N4c2ccccc2)cc1
InChIInChI=1S/C70H46Ge2N6.C66H40Ge2N2O4.C44H24Ge2N2O6/c1-7-23-45(24-8-1)73-53-35-19-39-57-63(53)71-65-55(73)37-21-41-59(65)77(49-31-15-5-16-32-49)69-51-44-62-68-70(52(51)43-61(67(69)71)75(57)47-27-11-3-12-28-47)78(50-33-17-6-18-34-50)60-42-22-38-56-66(60)72(68)64-54(74(56)46-25-9-2-10-26-46)36-20-40-58(64)76(62)48-29-13-4-14-30-48;1-7-21-41(22-8-1)43-37-53-59-55(39-43)73-65-61-64(70(48-31-17-6-18-32-48)49-33-19-35-51(71-53)57(49)67(59,61)45-25-11-3-12-26-45)66-62-63(65)69(47-29-15-5-16-30-47)50-34-20-36-52-58(50)68(62,46-27-13-4-14-28-46)60-54(72-52)38-44(40-56(60)74-66)42-23-9-2-10-24-42;1-45-33-23-11-7-15-27(33)51-41-37(45)43(53-29-17-19-31-39(35(29)45)47(23)21-9-3-5-13-25(21)49-31)42-38-44(41)54-30-18-20-32-40-36(30)46(38,2)34-24(12-8-16-28(34)52-42)48(40)22-10-4-6-14-26(22)50-32/h1-44,71-72H;1-40H;3-20H,1-2H3
InChIKeyLAUSRBFKPISZFI-UHFFFAOYSA-N
MW3008.58 g/mol
LogP33.89
Rot. Bonds12

About 18,43-dimethyl-3,8,25,28,33,50-hexaoxa-15,40-diaza-18,43-digermapentadecacyclo[25.23.1.12,18.04,17.07,16.09,14.015,20.019,24.029,42.032,41.034,39.040,45.043,51.044,49.026,52]dopentaconta-1,4(17),5,7(16),9,11,13,19,21,23,26(52),27(51),29(42),30,32(41),34,36,38,44,46,48-henicosaene;13,19,24,38,40,42-hexakis-phenyl-13,19,24,38,40,42-hexaza-6,31-digermadodecacyclo[21.15.1.14,8.16,14.129,33.02,21.05,20.07,12.025,30.031,39.032,37.018,41]dotetraconta-1(39),2,4,7(12),8,10,14(41),15,17,20,22,25,27,29,32,34,36-heptadecaene;4,14,20,27,31,38-hexakis-phenyl-11,17,34,36-tetraoxa-20,38-diaza-4,27-digermaundecacyclo[17.15.1.12,6.14,12.125,29.03,18.05,10.021,26.027,35.028,33.016,37]octatriaconta-1,3(18),5,7,9,12(37),13,15,19(35),21(26),22,24,28,30,32-pentadecaene

18,43-dimethyl-3,8,25,28,33,50-hexaoxa-15,40-diaza-18,43-digermapentadecacyclo[25.23.1.12,18.04,17.07,16.09,14.015,20.019,24.029,42.032,41.034,39.040,45.043,51.044,49.026,52]dopentaconta-1,4(17),5,7(16),9,11,13,19,21,23,26(52),27(51),29(42),30,32(41),34,36,38,44,46,48-henicosaene;13,19,24,38,40,42-hexakis-phenyl-13,19,24,38,40,42-hexaza-6,31-digermadodecacyclo[21.15.1.14,8.16,14.129,33.02,21.05,20.07,12.025,30.031,39.032,37.018,41]dotetraconta-1(39),2,4,7(12),8,10,14(41),15,17,20,22,25,27,29,32,34,36-heptadecaene;4,14,20,27,31,38-hexakis-phenyl-11,17,34,36-tetraoxa-20,38-diaza-4,27-digermaundecacyclo[17.15.1.12,6.14,12.125,29.03,18.05,10.021,26.027,35.028,33.016,37]octatriaconta-1,3(18),5,7,9,12(37),13,15,19(35),21(26),22,24,28,30,32-pentadecaene (PubChem CID 159296693) has the molecular formula C180H110Ge6N10O10 and a molecular weight of 3008.58 g/mol. Its IUPAC name is 18,43-dimethyl-3,8,25,28,33,50-hexaoxa-15,40-diaza-18,43-digermapentadecacyclo[25.23.1.12,18.04,17.07,16.09,14.015,20.019,24.029,42.032,41.034,39.040,45.043,51.044,49.026,52]dopentaconta-1,4(17),5,7(16),9,11,13,19,21,23,26(52),27(51),29(42),30,32(41),34,36,38,44,46,48-henicosaene;13,19,24,38,40,42-hexakis-phenyl-13,19,24,38,40,42-hexaza-6,31-digermadodecacyclo[21.15.1.14,8.16,14.129,33.02,21.05,20.07,12.025,30.031,39.032,37.018,41]dotetraconta-1(39),2,4,7(12),8,10,14(41),15,17,20,22,25,27,29,32,34,36-heptadecaene;4,14,20,27,31,38-hexakis-phenyl-11,17,34,36-tetraoxa-20,38-diaza-4,27-digermaundecacyclo[17.15.1.12,6.14,12.125,29.03,18.05,10.021,26.027,35.028,33.016,37]octatriaconta-1,3(18),5,7,9,12(37),13,15,19(35),21(26),22,24,28,30,32-pentadecaene.

Molecular Properties

Compound Name18,43-dimethyl-3,8,25,28,33,50-hexaoxa-15,40-diaza-18,43-digermapentadecacyclo[25.23.1.12,18.04,17.07,16.09,14.015,20.019,24.029,42.032,41.034,39.040,45.043,51.044,49.026,52]dopentaconta-1,4(17),5,7(16),9,11,13,19,21,23,26(52),27(51),29(42),30,32(41),34,36,38,44,46,48-henicosaene;13,19,24,38,40,42-hexakis-phenyl-13,19,24,38,40,42-hexaza-6,31-digermadodecacyclo[21.15.1.14,8.16,14.129,33.02,21.05,20.07,12.025,30.031,39.032,37.018,41]dotetraconta-1(39),2,4,7(12),8,10,14(41),15,17,20,22,25,27,29,32,34,36-heptadecaene;4,14,20,27,31,38-hexakis-phenyl-11,17,34,36-tetraoxa-20,38-diaza-4,27-digermaundecacyclo[17.15.1.12,6.14,12.125,29.03,18.05,10.021,26.027,35.028,33.016,37]octatriaconta-1,3(18),5,7,9,12(37),13,15,19(35),21(26),22,24,28,30,32-pentadecaene
PubChem CID159296693
Molecular FormulaC180H110Ge6N10O10
Molecular Weight3008.58 g/mol
Exact Mass3014.37
IUPAC Name18,43-dimethyl-3,8,25,28,33,50-hexaoxa-15,40-diaza-18,43-digermapentadecacyclo[25.23.1.12,18.04,17.07,16.09,14.015,20.019,24.029,42.032,41.034,39.040,45.043,51.044,49.026,52]dopentaconta-1,4(17),5,7(16),9,11,13,19,21,23,26(52),27(51),29(42),30,32(41),34,36,38,44,46,48-henicosaene;13,19,24,38,40,42-hexakis-phenyl-13,19,24,38,40,42-hexaza-6,31-digermadodecacyclo[21.15.1.14,8.16,14.129,33.02,21.05,20.07,12.025,30.031,39.032,37.018,41]dotetraconta-1(39),2,4,7(12),8,10,14(41),15,17,20,22,25,27,29,32,34,36-heptadecaene;4,14,20,27,31,38-hexakis-phenyl-11,17,34,36-tetraoxa-20,38-diaza-4,27-digermaundecacyclo[17.15.1.12,6.14,12.125,29.03,18.05,10.021,26.027,35.028,33.016,37]octatriaconta-1,3(18),5,7,9,12(37),13,15,19(35),21(26),22,24,28,30,32-pentadecaene
SMILESC[Ge]12c3c4cccc3N3c5ccccc5Oc5ccc(c1c53)Oc1c3c5c(c(c12)O4)Oc1ccc2c4c1[Ge]5(C)c1c(cccc1N4c1ccccc1O2)O3.c1ccc(-c2cc3c4c(c2)Oc2c5c6c(c7c2[Ge]4(c2ccccc2)c2c(cccc2N7c2ccccc2)O3)Oc2cc(-c3ccccc3)cc3c2[Ge]6(c2ccccc2)c2c(cccc2N5c2ccccc2)O3)cc1.c1ccc(N2c3cccc4c3[GeH]3c5c2cccc5N(c2ccccc2)c2c3c(cc3c5c6c(cc23)N(c2ccccc2)c2cccc3c2[GeH]6c2c(cccc2N5c2ccccc2)N3c2ccccc2)N4c2ccccc2)cc1
InChIInChI=1S/C70H46Ge2N6.C66H40Ge2N2O4.C44H24Ge2N2O6/c1-7-23-45(24-8-1)73-53-35-19-39-57-63(53)71-65-55(73)37-21-41-59(65)77(49-31-15-5-16-32-49)69-51-44-62-68-70(52(51)43-61(67(69)71)75(57)47-27-11-3-12-28-47)78(50-33-17-6-18-34-50)60-42-22-38-56-66(60)72(68)64-54(74(56)46-25-9-2-10-26-46)36-20-40-58(64)76(62)48-29-13-4-14-30-48;1-7-21-41(22-8-1)43-37-53-59-55(39-43)73-65-61-64(70(48-31-17-6-18-32-48)49-33-19-35-51(71-53)57(49)67(59,61)45-25-11-3-12-26-45)66-62-63(65)69(47-29-15-5-16-30-47)50-34-20-36-52-58(50)68(62,46-27-13-4-14-28-46)60-54(72-52)38-44(40-56(60)74-66)42-23-9-2-10-24-42;1-45-33-23-11-7-15-27(33)51-41-37(45)43(53-29-17-19-31-39(35(29)45)47(23)21-9-3-5-13-25(21)49-31)42-38-44(41)54-30-18-20-32-40-36(30)46(38,2)34-24(12-8-16-28(34)52-42)48(40)22-10-4-6-14-26(22)50-32/h1-44,71-72H;1-40H;3-20H,1-2H3
InChIKeyLAUSRBFKPISZFI-UHFFFAOYSA-N
XLogP33.89
TPSA124.70 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds12
Heavy Atoms206
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003008.58
LogP ≤ 533.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 18,43-dimethyl-3,8,25,28,33,50-hexaoxa-15,40-diaza-18,43-digermapentadecacyclo[25.23.1.12,18.04,17.07,16.09,14.015,20.019,24.029,42.032,41.034,39.040,45.043,51.044,49.026,52]dopentaconta-1,4(17),5,7(16),9,11,13,19,21,23,26(52),27(51),29(42),30,32(41),34,36,38,44,46,48-henicosaene;13,19,24,38,40,42-hexakis-phenyl-13,19,24,38,40,42-hexaza-6,31-digermadodecacyclo[21.15.1.14,8.16,14.129,33.02,21.05,20.07,12.025,30.031,39.032,37.018,41]dotetraconta-1(39),2,4,7(12),8,10,14(41),15,17,20,22,25,27,29,32,34,36-heptadecaene;4,14,20,27,31,38-hexakis-phenyl-11,17,34,36-tetraoxa-20,38-diaza-4,27-digermaundecacyclo[17.15.1.12,6.14,12.125,29.03,18.05,10.021,26.027,35.028,33.016,37]octatriaconta-1,3(18),5,7,9,12(37),13,15,19(35),21(26),22,24,28,30,32-pentadecaene with MolForge

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Related Compounds

4,41-dimethyl-9,18,24,27,31,48,50,52-octakis-phenyl-9,18,24,27,31,48,50,52-octaza-4,41-digermapentadecacyclo[24.22.1.12,6.14,19.139,43.03,25.05,17.08,16.010,15.028,40.030,38.032,37.041,49.042,47.023,51]dopentaconta-1,3(25),5,7,10,12,14,16,19(51),20,22,26(49),28(40),29,32,34,36,38,42,44,46-henicosaene;3,18,25,28,43,50-hexakis-phenyl-8,33-dioxa-3,15,25,28,40,50-hexaza-18,43-digermapentadecacyclo[25.23.1.12,18.04,17.07,16.09,14.015,20.019,24.029,42.032,41.034,39.040,45.043,51.044,49.026,52]dopentaconta-1,4(17),5,7(16),9,11,13,19(24),20,22,26(52),27(51),29(42),30,32(41),34,36,38,44(49),45,47-henicosaene;4,17,20,27,34,38-hexakis-phenyl-11,36-dioxa-17,20,34,38-tetraza-4,27-digermaundecacyclo[17.15.1.12,6.14,12.125,29.03,18.05,10.021,26.027,35.028,33.016,37]octatriaconta-1,3(18),5,7,9,12,14,16(37),19(35),21(26),22,24,28(33),29,31-pentadecaene
CID 159675025
4,27-bis(4-nitrophenyl)-34,38-diphenyl-11,17,20,36-tetraoxa-34,38-diaza-4,27-digermaundecacyclo[17.15.1.12,6.14,12.125,29.03,18.05,10.021,26.027,35.028,33.016,37]octatriaconta-1,3(18),5,7,9,12(37),13,15,19(35),21,23,25,28(33),29,31-pentadecaene
CID 140849018
11-phenyl-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 140893612
10-phenyl-3-[4-(3-phenylphenyl)phenyl]phenoxazine
CID 155186108
19,25-di(carbazol-9-yl)-8-methyl-1-phenyl-11,16,22-trioxa-4-aza-1-germaoctacyclo[15.11.1.02,15.03,12.04,27.05,10.021,29.023,28]nonacosa-2(15),3(12),5(10),6,8,13,17(29),18,20,23,25,27-dodecaene
CID 140848974
1-methyl-22-triphenylen-2-yl-8,14-dioxa-22-aza-1-germahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene
CID 140849000
5-[3-(8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-yl)-5-phenylphenyl]-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene
CID 134552129
ethane;10-phenylphenoxazine
CID 123756019
10-[4-[8-(4-phenoxazin-10-ylphenyl)-3,6,9-triphenylcarbazol-1-yl]phenyl]phenoxazine
CID 139312569
10-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine
CID 118528381
11-(4-phenylphenyl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;11-[4-(2-phenylphenyl)phenyl]-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;11-[4-(3-phenylphenyl)phenyl]-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 162167397
1-carbazol-9-yl-10-phenylphenoxazine
CID 175123685

Frequently Asked Questions

What is the IUPAC name of 18,43-dimethyl-3,8,25,28,33,50-hexaoxa-15,40-diaza-18,43-digermapentadecacyclo[25.23.1.12,18.04,17.07,16.09,14.015,20.019,24.029,42.032,41.034,39.040,45.043,51.044,49.026,52]dopentaconta-1,4(17),5,7(16),9,11,13,19,21,23,26(52),27(51),29(42),30,32(41),34,36,38,44,46,48-henicosaene;13,19,24,38,40,42-hexakis-phenyl-13,19,24,38,40,42-hexaza-6,31-digermadodecacyclo[21.15.1.14,8.16,14.129,33.02,21.05,20.07,12.025,30.031,39.032,37.018,41]dotetraconta-1(39),2,4,7(12),8,10,14(41),15,17,20,22,25,27,29,32,34,36-heptadecaene;4,14,20,27,31,38-hexakis-phenyl-11,17,34,36-tetraoxa-20,38-diaza-4,27-digermaundecacyclo[17.15.1.12,6.14,12.125,29.03,18.05,10.021,26.027,35.028,33.016,37]octatriaconta-1,3(18),5,7,9,12(37),13,15,19(35),21(26),22,24,28,30,32-pentadecaene?
The IUPAC name of 18,43-dimethyl-3,8,25,28,33,50-hexaoxa-15,40-diaza-18,43-digermapentadecacyclo[25.23.1.12,18.04,17.07,16.09,14.015,20.019,24.029,42.032,41.034,39.040,45.043,51.044,49.026,52]dopentaconta-1,4(17),5,7(16),9,11,13,19,21,23,26(52),27(51),29(42),30,32(41),34,36,38,44,46,48-henicosaene;13,19,24,38,40,42-hexakis-phenyl-13,19,24,38,40,42-hexaza-6,31-digermadodecacyclo[21.15.1.14,8.16,14.129,33.02,21.05,20.07,12.025,30.031,39.032,37.018,41]dotetraconta-1(39),2,4,7(12),8,10,14(41),15,17,20,22,25,27,29,32,34,36-heptadecaene;4,14,20,27,31,38-hexakis-phenyl-11,17,34,36-tetraoxa-20,38-diaza-4,27-digermaundecacyclo[17.15.1.12,6.14,12.125,29.03,18.05,10.021,26.027,35.028,33.016,37]octatriaconta-1,3(18),5,7,9,12(37),13,15,19(35),21(26),22,24,28,30,32-pentadecaene (CID 159296693) is 18,43-dimethyl-3,8,25,28,33,50-hexaoxa-15,40-diaza-18,43-digermapentadecacyclo[25.23.1.12,18.04,17.07,16.09,14.015,20.019,24.029,42.032,41.034,39.040,45.043,51.044,49.026,52]dopentaconta-1,4(17),5,7(16),9,11,13,19,21,23,26(52),27(51),29(42),30,32(41),34,36,38,44,46,48-henicosaene;13,19,24,38,40,42-hexakis-phenyl-13,19,24,38,40,42-hexaza-6,31-digermadodecacyclo[21.15.1.14,8.16,14.129,33.02,21.05,20.07,12.025,30.031,39.032,37.018,41]dotetraconta-1(39),2,4,7(12),8,10,14(41),15,17,20,22,25,27,29,32,34,36-heptadecaene;4,14,20,27,31,38-hexakis-phenyl-11,17,34,36-tetraoxa-20,38-diaza-4,27-digermaundecacyclo[17.15.1.12,6.14,12.125,29.03,18.05,10.021,26.027,35.028,33.016,37]octatriaconta-1,3(18),5,7,9,12(37),13,15,19(35),21(26),22,24,28,30,32-pentadecaene.
What is the SMILES notation for 18,43-dimethyl-3,8,25,28,33,50-hexaoxa-15,40-diaza-18,43-digermapentadecacyclo[25.23.1.12,18.04,17.07,16.09,14.015,20.019,24.029,42.032,41.034,39.040,45.043,51.044,49.026,52]dopentaconta-1,4(17),5,7(16),9,11,13,19,21,23,26(52),27(51),29(42),30,32(41),34,36,38,44,46,48-henicosaene;13,19,24,38,40,42-hexakis-phenyl-13,19,24,38,40,42-hexaza-6,31-digermadodecacyclo[21.15.1.14,8.16,14.129,33.02,21.05,20.07,12.025,30.031,39.032,37.018,41]dotetraconta-1(39),2,4,7(12),8,10,14(41),15,17,20,22,25,27,29,32,34,36-heptadecaene;4,14,20,27,31,38-hexakis-phenyl-11,17,34,36-tetraoxa-20,38-diaza-4,27-digermaundecacyclo[17.15.1.12,6.14,12.125,29.03,18.05,10.021,26.027,35.028,33.016,37]octatriaconta-1,3(18),5,7,9,12(37),13,15,19(35),21(26),22,24,28,30,32-pentadecaene?
The canonical SMILES for 18,43-dimethyl-3,8,25,28,33,50-hexaoxa-15,40-diaza-18,43-digermapentadecacyclo[25.23.1.12,18.04,17.07,16.09,14.015,20.019,24.029,42.032,41.034,39.040,45.043,51.044,49.026,52]dopentaconta-1,4(17),5,7(16),9,11,13,19,21,23,26(52),27(51),29(42),30,32(41),34,36,38,44,46,48-henicosaene;13,19,24,38,40,42-hexakis-phenyl-13,19,24,38,40,42-hexaza-6,31-digermadodecacyclo[21.15.1.14,8.16,14.129,33.02,21.05,20.07,12.025,30.031,39.032,37.018,41]dotetraconta-1(39),2,4,7(12),8,10,14(41),15,17,20,22,25,27,29,32,34,36-heptadecaene;4,14,20,27,31,38-hexakis-phenyl-11,17,34,36-tetraoxa-20,38-diaza-4,27-digermaundecacyclo[17.15.1.12,6.14,12.125,29.03,18.05,10.021,26.027,35.028,33.016,37]octatriaconta-1,3(18),5,7,9,12(37),13,15,19(35),21(26),22,24,28,30,32-pentadecaene is C[Ge]12c3c4cccc3N3c5ccccc5Oc5ccc(c1c53)Oc1c3c5c(c(c12)O4)Oc1ccc2c4c1[Ge]5(C)c1c(cccc1N4c1ccccc1O2)O3.c1ccc(-c2cc3c4c(c2)Oc2c5c6c(c7c2[Ge]4(c2ccccc2)c2c(cccc2N7c2ccccc2)O3)Oc2cc(-c3ccccc3)cc3c2[Ge]6(c2ccccc2)c2c(cccc2N5c2ccccc2)O3)cc1.c1ccc(N2c3cccc4c3[GeH]3c5c2cccc5N(c2ccccc2)c2c3c(cc3c5c6c(cc23)N(c2ccccc2)c2cccc3c2[GeH]6c2c(cccc2N5c2ccccc2)N3c2ccccc2)N4c2ccccc2)cc1.
What is the InChIKey of 18,43-dimethyl-3,8,25,28,33,50-hexaoxa-15,40-diaza-18,43-digermapentadecacyclo[25.23.1.12,18.04,17.07,16.09,14.015,20.019,24.029,42.032,41.034,39.040,45.043,51.044,49.026,52]dopentaconta-1,4(17),5,7(16),9,11,13,19,21,23,26(52),27(51),29(42),30,32(41),34,36,38,44,46,48-henicosaene;13,19,24,38,40,42-hexakis-phenyl-13,19,24,38,40,42-hexaza-6,31-digermadodecacyclo[21.15.1.14,8.16,14.129,33.02,21.05,20.07,12.025,30.031,39.032,37.018,41]dotetraconta-1(39),2,4,7(12),8,10,14(41),15,17,20,22,25,27,29,32,34,36-heptadecaene;4,14,20,27,31,38-hexakis-phenyl-11,17,34,36-tetraoxa-20,38-diaza-4,27-digermaundecacyclo[17.15.1.12,6.14,12.125,29.03,18.05,10.021,26.027,35.028,33.016,37]octatriaconta-1,3(18),5,7,9,12(37),13,15,19(35),21(26),22,24,28,30,32-pentadecaene?
The InChIKey is LAUSRBFKPISZFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H46Ge2N6.C66H40Ge2N2O4.C44H24Ge2N2O6/c1-7-23-45(24-8-1)73-53-35-19-39-57-63(53)71-65-55(73)37-21-41-59(65)77(49-31-15-5-16-32-49)69-51-44-62-68-70(52(51)43-61(67(69)71)75(57)47-27-11-3-12-28-47)78(50-33-17-6-18-34-50)60-42-22-38-56-66(60)72(68)64-54(74(56)46-25-9-2-10-26-46)36-20-40-58(64)76(62)48-29-13-4-14-30-48;1-7-21-41(22-8-1)43-37-53-59-55(39-43)73-65-61-64(70(48-31-17-6-18-32-48)49-33-19-35-51(71-53)57(49)67(59,61)45-25-11-3-12-26-45)66-62-63(65)69(47-29-15-5-16-30-47)50-34-20-36-52-58(50)68(62,46-27-13-4-14-28-46)60-54(72-52)38-44(40-56(60)74-66)42-23-9-2-10-24-42;1-45-33-23-11-7-15-27(33)51-41-37(45)43(53-29-17-19-31-39(35(29)45)47(23)21-9-3-5-13-25(21)49-31)42-38-44(41)54-30-18-20-32-40-36(30)46(38,2)34-24(12-8-16-28(34)52-42)48(40)22-10-4-6-14-26(22)50-32/h1-44,71-72H;1-40H;3-20H,1-2H3.
What are the key properties of 18,43-dimethyl-3,8,25,28,33,50-hexaoxa-15,40-diaza-18,43-digermapentadecacyclo[25.23.1.12,18.04,17.07,16.09,14.015,20.019,24.029,42.032,41.034,39.040,45.043,51.044,49.026,52]dopentaconta-1,4(17),5,7(16),9,11,13,19,21,23,26(52),27(51),29(42),30,32(41),34,36,38,44,46,48-henicosaene;13,19,24,38,40,42-hexakis-phenyl-13,19,24,38,40,42-hexaza-6,31-digermadodecacyclo[21.15.1.14,8.16,14.129,33.02,21.05,20.07,12.025,30.031,39.032,37.018,41]dotetraconta-1(39),2,4,7(12),8,10,14(41),15,17,20,22,25,27,29,32,34,36-heptadecaene;4,14,20,27,31,38-hexakis-phenyl-11,17,34,36-tetraoxa-20,38-diaza-4,27-digermaundecacyclo[17.15.1.12,6.14,12.125,29.03,18.05,10.021,26.027,35.028,33.016,37]octatriaconta-1,3(18),5,7,9,12(37),13,15,19(35),21(26),22,24,28,30,32-pentadecaene?
18,43-dimethyl-3,8,25,28,33,50-hexaoxa-15,40-diaza-18,43-digermapentadecacyclo[25.23.1.12,18.04,17.07,16.09,14.015,20.019,24.029,42.032,41.034,39.040,45.043,51.044,49.026,52]dopentaconta-1,4(17),5,7(16),9,11,13,19,21,23,26(52),27(51),29(42),30,32(41),34,36,38,44,46,48-henicosaene;13,19,24,38,40,42-hexakis-phenyl-13,19,24,38,40,42-hexaza-6,31-digermadodecacyclo[21.15.1.14,8.16,14.129,33.02,21.05,20.07,12.025,30.031,39.032,37.018,41]dotetraconta-1(39),2,4,7(12),8,10,14(41),15,17,20,22,25,27,29,32,34,36-heptadecaene;4,14,20,27,31,38-hexakis-phenyl-11,17,34,36-tetraoxa-20,38-diaza-4,27-digermaundecacyclo[17.15.1.12,6.14,12.125,29.03,18.05,10.021,26.027,35.028,33.016,37]octatriaconta-1,3(18),5,7,9,12(37),13,15,19(35),21(26),22,24,28,30,32-pentadecaene has a molecular weight of 3008.58 g/mol, XLogP of 33.89, 12 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 18,43-dimethyl-3,8,25,28,33,50-hexaoxa-15,40-diaza-18,43-digermapentadecacyclo[25.23.1.12,18.04,17.07,16.09,14.015,20.019,24.029,42.032,41.034,39.040,45.043,51.044,49.026,52]dopentaconta-1,4(17),5,7(16),9,11,13,19,21,23,26(52),27(51),29(42),30,32(41),34,36,38,44,46,48-henicosaene;13,19,24,38,40,42-hexakis-phenyl-13,19,24,38,40,42-hexaza-6,31-digermadodecacyclo[21.15.1.14,8.16,14.129,33.02,21.05,20.07,12.025,30.031,39.032,37.018,41]dotetraconta-1(39),2,4,7(12),8,10,14(41),15,17,20,22,25,27,29,32,34,36-heptadecaene;4,14,20,27,31,38-hexakis-phenyl-11,17,34,36-tetraoxa-20,38-diaza-4,27-digermaundecacyclo[17.15.1.12,6.14,12.125,29.03,18.05,10.021,26.027,35.028,33.016,37]octatriaconta-1,3(18),5,7,9,12(37),13,15,19(35),21(26),22,24,28,30,32-pentadecaene is sourced from PubChem (CID 159296693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).