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

C236H152Ge6N18O4 — CID 159675025

IUPAC4,41-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
SMILESC[Ge]12c3c4cccc3N(c3ccccc3)c3c1c(cc1c3c3ccccc3n1-c1ccccc1)N(c1ccccc1)c1c3c5c(c(c12)N4c1ccccc1)N(c1ccccc1)c1cc2c(c4c1[Ge]5(C)c1c(cccc1N4c1ccccc1)N3c1ccccc1)c1ccccc1n2-c1ccccc1.c1ccc(N2c3cccc4c3[Ge]3(c5ccccc5)c5c(ccc6c5N4c4ccccc4O6)N(c4ccccc4)c4c5c6c(c2c43)N(c2ccccc2)c2ccc3c4c2[Ge]6(c2ccccc2)c2c(cccc2N4c2ccccc2O3)N5c2ccccc2)cc1.c1ccc(N2c3cccc4c3[Ge]3(c5ccccc5)c5c(cccc5N(c5ccccc5)c5c6c7c(c2c53)N(c2ccccc2)c2cccc3c2[Ge]7(c2ccccc2)c2c(cccc2N6c2ccccc2)O3)O4)cc1
InChIInChI=1S/C92H62Ge2N8.C78H48Ge2N6O2.C66H42Ge2N4O2/c1-93-81-71-53-31-55-73(81)99(63-41-19-7-20-42-63)89-85(93)91(101(65-45-23-9-24-46-65)77-57-75-79(87(83(77)93)97(71)61-37-15-5-16-38-61)67-49-27-29-51-69(67)95(75)59-33-11-3-12-34-59)90-86-92(89)102(66-47-25-10-26-48-66)78-58-76-80(68-50-28-30-52-70(68)96(76)60-35-13-4-14-36-60)88-84(78)94(86,2)82-72(98(88)62-39-17-6-18-40-62)54-32-56-74(82)100(90)64-43-21-8-22-44-64;1-7-25-49(26-8-1)79-67-57-39-23-41-59(67)85-55-37-19-21-43-63(55)87-65-47-45-61(69(79)73(65)85)83(53-33-15-5-16-34-53)77-71(79)75(81(57)51-29-11-3-12-30-51)78-72-76(77)82(52-31-13-4-14-32-52)58-40-24-42-60-68(58)80(72,50-27-9-2-10-28-50)70-62(84(78)54-35-17-6-18-36-54)46-48-66-74(70)86(60)56-38-20-22-44-64(56)88-66;1-7-23-43(24-8-1)67-57-49-35-19-39-53(57)73-54-40-20-36-50(58(54)67)70(46-29-13-4-14-30-46)64-61(67)63(69(49)45-27-11-3-12-28-45)65-62-66(64)72(48-33-17-6-18-34-48)52-38-22-42-56-60(52)68(62,44-25-9-2-10-26-44)59-51(37-21-41-55(59)74-56)71(65)47-31-15-5-16-32-47/h3-58H,1-2H3;1-48H;1-42H
InChIKeyMUMJOTSUGDVRIK-UHFFFAOYSA-N
MW3739.59 g/mol
LogP47.92
Rot. Bonds20

About 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

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 (PubChem CID 159675025) has the molecular formula C236H152Ge6N18O4 and a molecular weight of 3739.59 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4,41-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
PubChem CID159675025
Molecular FormulaC236H152Ge6N18O4
Molecular Weight3739.59 g/mol
Exact Mass3744.75
IUPAC Name4,41-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
SMILESC[Ge]12c3c4cccc3N(c3ccccc3)c3c1c(cc1c3c3ccccc3n1-c1ccccc1)N(c1ccccc1)c1c3c5c(c(c12)N4c1ccccc1)N(c1ccccc1)c1cc2c(c4c1[Ge]5(C)c1c(cccc1N4c1ccccc1)N3c1ccccc1)c1ccccc1n2-c1ccccc1.c1ccc(N2c3cccc4c3[Ge]3(c5ccccc5)c5c(ccc6c5N4c4ccccc4O6)N(c4ccccc4)c4c5c6c(c2c43)N(c2ccccc2)c2ccc3c4c2[Ge]6(c2ccccc2)c2c(cccc2N4c2ccccc2O3)N5c2ccccc2)cc1.c1ccc(N2c3cccc4c3[Ge]3(c5ccccc5)c5c(cccc5N(c5ccccc5)c5c6c7c(c2c53)N(c2ccccc2)c2cccc3c2[Ge]7(c2ccccc2)c2c(cccc2N6c2ccccc2)O3)O4)cc1
InChIInChI=1S/C92H62Ge2N8.C78H48Ge2N6O2.C66H42Ge2N4O2/c1-93-81-71-53-31-55-73(81)99(63-41-19-7-20-42-63)89-85(93)91(101(65-45-23-9-24-46-65)77-57-75-79(87(83(77)93)97(71)61-37-15-5-16-38-61)67-49-27-29-51-69(67)95(75)59-33-11-3-12-34-59)90-86-92(89)102(66-47-25-10-26-48-66)78-58-76-80(68-50-28-30-52-70(68)96(76)60-35-13-4-14-36-60)88-84(78)94(86,2)82-72(98(88)62-39-17-6-18-40-62)54-32-56-74(82)100(90)64-43-21-8-22-44-64;1-7-25-49(26-8-1)79-67-57-39-23-41-59(67)85-55-37-19-21-43-63(55)87-65-47-45-61(69(79)73(65)85)83(53-33-15-5-16-34-53)77-71(79)75(81(57)51-29-11-3-12-30-51)78-72-76(77)82(52-31-13-4-14-32-52)58-40-24-42-60-68(58)80(72,50-27-9-2-10-28-50)70-62(84(78)54-35-17-6-18-36-54)46-48-66-74(70)86(60)56-38-20-22-44-64(56)88-66;1-7-23-43(24-8-1)67-57-49-35-19-39-53(57)73-54-40-20-36-50(58(54)67)70(46-29-13-4-14-30-46)64-61(67)63(69(49)45-27-11-3-12-28-45)65-62-66(64)72(48-33-17-6-18-34-48)52-38-22-42-56-60(52)68(62,44-25-9-2-10-26-44)59-51(37-21-41-55(59)74-56)71(65)47-31-15-5-16-32-47/h3-58H,1-2H3;1-48H;1-42H
InChIKeyMUMJOTSUGDVRIK-UHFFFAOYSA-N
XLogP47.92
TPSA98.62 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds20
Heavy Atoms264
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003739.59
LogP ≤ 547.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Analyze 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 with MolForge

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Related Compounds

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
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
1-carbazol-9-yl-10-phenylphenoxazine
CID 175123685
21-carbazol-9-yl-25-phenyl-2,16-dioxa-9,25-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.019,24]octacosa-1(28),3,5,7,10,12,14,17,19(24),20,22,26-dodecaene
CID 134559977
11-[3-[9-(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-nonaen-11-yl)carbazol-3-yl]carbazol-9-yl]-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-[3-(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-nonaen-11-yl)-6-(9-phenylcarbazol-3-yl)carbazol-9-yl]-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 158285187
3-methyl-9-phenylcarbazole;9-(4-methylphenyl)carbazole;3-methyl-10-phenylphenoxazine;10-(4-methylphenyl)phenoxazine
CID 163970379
21,25,29,38,42-pentakis-phenyl-12-oxa-21,25,29,38,42-pentaza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.015,20.031,39.032,37.041,49.043,48.024,50]pentaconta-2,4(26),6,8,10,13,15,17,19,22,24(50),27,30,32,34,36,39,41(49),43,45,47-henicosaene
CID 164760117
3-(9-phenylcarbazol-3-yl)-10-(3-phenylphenyl)phenoxazine
CID 134475961
N,N-diphenyl-4-[3-(10-phenylphenoxazin-3-yl)carbazol-9-yl]aniline
CID 147912487
25-(3-phenylphenyl)-21-[9-(3-phenylphenyl)carbazol-3-yl]-2,16-dioxa-9,25-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.019,24]octacosa-1(28),3,5,7,10,12,14,17,19(24),20,22,26-dodecaene
CID 142357461
10-(4-phenoxazin-10-ylphenyl)-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 118442390
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C[Ge]12c3c4cccc3N(c3ccccc3)c3c1c(cc1c3c3ccccc3n1-c1ccccc1)N(c1ccccc1)c1c3c5c(c(c12)N4c1ccccc1)N(c1ccccc1)c1cc2c(c4c1[Ge]5(C)c1c(cccc1N4c1ccccc1)N3c1ccccc1)c1ccccc1n2-c1ccccc1.c1ccc(N2c3cccc4c3[Ge]3(c5ccccc5)c5c(ccc6c5N4c4ccccc4O6)N(c4ccccc4)c4c5c6c(c2c43)N(c2ccccc2)c2ccc3c4c2[Ge]6(c2ccccc2)c2c(cccc2N4c2ccccc2O3)N5c2ccccc2)cc1.c1ccc(N2c3cccc4c3[Ge]3(c5ccccc5)c5c(cccc5N(c5ccccc5)c5c6c7c(c2c53)N(c2ccccc2)c2cccc3c2[Ge]7(c2ccccc2)c2c(cccc2N6c2ccccc2)O3)O4)cc1.
What is the InChIKey of 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?
The InChIKey is MUMJOTSUGDVRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C92H62Ge2N8.C78H48Ge2N6O2.C66H42Ge2N4O2/c1-93-81-71-53-31-55-73(81)99(63-41-19-7-20-42-63)89-85(93)91(101(65-45-23-9-24-46-65)77-57-75-79(87(83(77)93)97(71)61-37-15-5-16-38-61)67-49-27-29-51-69(67)95(75)59-33-11-3-12-34-59)90-86-92(89)102(66-47-25-10-26-48-66)78-58-76-80(68-50-28-30-52-70(68)96(76)60-35-13-4-14-36-60)88-84(78)94(86,2)82-72(98(88)62-39-17-6-18-40-62)54-32-56-74(82)100(90)64-43-21-8-22-44-64;1-7-25-49(26-8-1)79-67-57-39-23-41-59(67)85-55-37-19-21-43-63(55)87-65-47-45-61(69(79)73(65)85)83(53-33-15-5-16-34-53)77-71(79)75(81(57)51-29-11-3-12-30-51)78-72-76(77)82(52-31-13-4-14-32-52)58-40-24-42-60-68(58)80(72,50-27-9-2-10-28-50)70-62(84(78)54-35-17-6-18-36-54)46-48-66-74(70)86(60)56-38-20-22-44-64(56)88-66;1-7-23-43(24-8-1)67-57-49-35-19-39-53(57)73-54-40-20-36-50(58(54)67)70(46-29-13-4-14-30-46)64-61(67)63(69(49)45-27-11-3-12-28-45)65-62-66(64)72(48-33-17-6-18-34-48)52-38-22-42-56-60(52)68(62,44-25-9-2-10-26-44)59-51(37-21-41-55(59)74-56)71(65)47-31-15-5-16-32-47/h3-58H,1-2H3;1-48H;1-42H.
What are the key properties of 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?
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 has a molecular weight of 3739.59 g/mol, XLogP of 47.92, 20 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159675025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).