41,48-diphenyl-21-oxa-15,35,54-trithia-41,48-diaza-1,8,28-triborahexadecacyclo[47.11.1.18,16.128,36.02,47.04,45.05,24.07,22.09,14.025,44.027,42.029,34.053,61.055,60.020,63.040,62]trihexaconta-2,4,6,9,11,13,16,18,20(63),22,24,26,29,31,33,36,38,40(62),42,44,46,49(61),50,52,55,57,59-heptacosaene

C66H37B3N2OS3 — CID 163509775

IUPAC41,48-diphenyl-21-oxa-15,35,54-trithia-41,48-diaza-1,8,28-triborahexadecacyclo[47.11.1.18,16.128,36.02,47.04,45.05,24.07,22.09,14.025,44.027,42.029,34.053,61.055,60.020,63.040,62]trihexaconta-2,4,6,9,11,13,16,18,20(63),22,24,26,29,31,33,36,38,40(62),42,44,46,49(61),50,52,55,57,59-heptacosaene
SMILESc1ccc(N2c3cc4c(cc3B3c5ccccc5Sc5cccc2c53)c2cc3c(cc2c2cc5c(cc24)N(c2ccccc2)c2cccc4c2B5c2ccccc2S4)B2c4ccccc4Sc4cccc(c42)O3)cc1
InChIInChI=1S/C66H37B3N2OS3/c1-3-16-38(17-4-1)70-52-23-13-29-61-64(52)67(46-20-7-10-26-58(46)73-61)49-32-40-42-34-51-57(72-56-25-15-31-63-66(56)69(51)48-22-9-12-28-60(48)75-63)37-45(42)41-33-50-55(36-44(41)43(40)35-54(49)70)71(39-18-5-2-6-19-39)53-24-14-30-62-65(53)68(50)47-21-8-11-27-59(47)74-62/h1-37H
InChIKeyCIIFXOACNATWBA-UHFFFAOYSA-N
MW1002.67 g/mol
LogP11.76
Rot. Bonds2

About 41,48-diphenyl-21-oxa-15,35,54-trithia-41,48-diaza-1,8,28-triborahexadecacyclo[47.11.1.18,16.128,36.02,47.04,45.05,24.07,22.09,14.025,44.027,42.029,34.053,61.055,60.020,63.040,62]trihexaconta-2,4,6,9,11,13,16,18,20(63),22,24,26,29,31,33,36,38,40(62),42,44,46,49(61),50,52,55,57,59-heptacosaene

41,48-diphenyl-21-oxa-15,35,54-trithia-41,48-diaza-1,8,28-triborahexadecacyclo[47.11.1.18,16.128,36.02,47.04,45.05,24.07,22.09,14.025,44.027,42.029,34.053,61.055,60.020,63.040,62]trihexaconta-2,4,6,9,11,13,16,18,20(63),22,24,26,29,31,33,36,38,40(62),42,44,46,49(61),50,52,55,57,59-heptacosaene (PubChem CID 163509775) has the molecular formula C66H37B3N2OS3 and a molecular weight of 1002.67 g/mol. Its IUPAC name is 41,48-diphenyl-21-oxa-15,35,54-trithia-41,48-diaza-1,8,28-triborahexadecacyclo[47.11.1.18,16.128,36.02,47.04,45.05,24.07,22.09,14.025,44.027,42.029,34.053,61.055,60.020,63.040,62]trihexaconta-2,4,6,9,11,13,16,18,20(63),22,24,26,29,31,33,36,38,40(62),42,44,46,49(61),50,52,55,57,59-heptacosaene.

Molecular Properties

Compound Name41,48-diphenyl-21-oxa-15,35,54-trithia-41,48-diaza-1,8,28-triborahexadecacyclo[47.11.1.18,16.128,36.02,47.04,45.05,24.07,22.09,14.025,44.027,42.029,34.053,61.055,60.020,63.040,62]trihexaconta-2,4,6,9,11,13,16,18,20(63),22,24,26,29,31,33,36,38,40(62),42,44,46,49(61),50,52,55,57,59-heptacosaene
PubChem CID163509775
Molecular FormulaC66H37B3N2OS3
Molecular Weight1002.67 g/mol
Exact Mass1002.23
IUPAC Name41,48-diphenyl-21-oxa-15,35,54-trithia-41,48-diaza-1,8,28-triborahexadecacyclo[47.11.1.18,16.128,36.02,47.04,45.05,24.07,22.09,14.025,44.027,42.029,34.053,61.055,60.020,63.040,62]trihexaconta-2,4,6,9,11,13,16,18,20(63),22,24,26,29,31,33,36,38,40(62),42,44,46,49(61),50,52,55,57,59-heptacosaene
SMILESc1ccc(N2c3cc4c(cc3B3c5ccccc5Sc5cccc2c53)c2cc3c(cc2c2cc5c(cc24)N(c2ccccc2)c2cccc4c2B5c2ccccc2S4)B2c4ccccc4Sc4cccc(c42)O3)cc1
InChIInChI=1S/C66H37B3N2OS3/c1-3-16-38(17-4-1)70-52-23-13-29-61-64(52)67(46-20-7-10-26-58(46)73-61)49-32-40-42-34-51-57(72-56-25-15-31-63-66(56)69(51)48-22-9-12-28-60(48)75-63)37-45(42)41-33-50-55(36-44(41)43(40)35-54(49)70)71(39-18-5-2-6-19-39)53-24-14-30-62-65(53)68(50)47-21-8-11-27-59(47)74-62/h1-37H
InChIKeyCIIFXOACNATWBA-UHFFFAOYSA-N
XLogP11.76
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001002.67
LogP ≤ 511.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 41,48-diphenyl-21-oxa-15,35,54-trithia-41,48-diaza-1,8,28-triborahexadecacyclo[47.11.1.18,16.128,36.02,47.04,45.05,24.07,22.09,14.025,44.027,42.029,34.053,61.055,60.020,63.040,62]trihexaconta-2,4,6,9,11,13,16,18,20(63),22,24,26,29,31,33,36,38,40(62),42,44,46,49(61),50,52,55,57,59-heptacosaene with MolForge

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Related Compounds

16-phenyl-5-[2,4,6-tri(propan-2-yl)phenyl]-12-oxa-22-thia-16-aza-1,5-diboraheptacyclo[15.11.1.02,15.04,13.06,11.021,29.023,28]nonacosa-2,4(13),6,8,10,14,17(29),18,20,23,25,27-dodecaene
CID 164807450
18-N,18-N,43-N,43-N,27,34-hexakis-phenyl-21,40-dithia-27,34-diaza-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15(20),16,18,22,24,26(48),28,32,35(47),36,38,41(46),42,44-henicosaene-18,43-diamine
CID 163509778
12,28,38-triphenyl-18,22,32-trioxa-12,28,38-triaza-1,5,45-triboratridecacyclo[25.21.1.15,13.133,37.02,21.04,19.06,11.023,49.029,48.031,46.039,44.017,51.045,50]henpentaconta-2(21),3,6,8,10,13(51),14,16,19,23,25,27(49),29(48),30,33,35,37(50),39,41,43,46-henicosaene
CID 169037856
15,21,41,48,54-pentakis-phenyl-35-oxa-15,21,41,48,54-pentaza-1,8,28-triborahexadecacyclo[47.11.1.18,16.128,36.02,47.04,45.05,24.07,22.09,14.025,44.027,42.029,34.053,61.055,60.020,63.040,62]trihexaconta-2,4,6,9,11,13,16(63),17,19,22,24,26,29,31,33,36,38,40(62),42,44,46,49,51,53(61),55,57,59-heptacosaene;15,35,41,48,54-pentakis-phenyl-21-oxa-15,35,41,48,54-pentaza-1,8,28-triborahexadecacyclo[47.11.1.18,16.128,36.02,47.04,45.05,24.07,22.09,14.025,44.027,42.029,34.053,61.055,60.020,63.040,62]trihexaconta-2,4,6,9,11,13,16(63),17,19,22,24,26,29,31,33,36(62),37,39,42,44,46,49,51,53(61),55,57,59-heptacosaene;13,36,48-triphenyl-7,42,54-trioxa-13,36,48-triaza-1,20,29-triborahexadecacyclo[47.11.1.18,12.129,37.02,47.04,45.05,24.06,21.014,19.025,44.028,43.030,35.053,61.055,60.020,63.041,62]trihexaconta-2,4,6(21),8,10,12(63),14,16,18,22,24,26,28(43),30,32,34,37(62),38,40,44,46,49(61),50,52,55,57,59-heptacosaene;15,41,48-triphenyl-21,35,54-trioxa-15,41,48-triaza-1,8,28-triborahexadecacyclo[47.11.1.18,16.128,36.02,47.04,45.05,24.07,22.09,14.025,44.027,42.029,34.053,61.055,60.020,63.040,62]trihexaconta-2,4,6,9,11,13,16(63),17,19,22,24,26,29,31,33,36,38,40(62),42,44,46,49(61),50,52,55,57,59-heptacosaene;15,41,54-triphenyl-21,35,48-trioxa-15,41,54-triaza-1,8,28-triborahexadecacyclo[47.11.1.18,16.128,36.02,47.04,45.05,24.07,22.09,14.025,44.027,42.029,34.053,61.055,60.020,63.040,62]trihexaconta-2,4(45),5(24),6,9,11,13,16(63),17,19,22,25(44),26,29,31,33,36,38,40(62),42,46,49,51,53(61),55,57,59-heptacosaene;21,41,48-triphenyl-15,35,54-trioxa-21,41,48-triaza-1,8,28-triborahexadecacyclo[47.11.1.18,16.128,36.02,47.04,45.05,24.07,22.09,14.025,44.027,42.029,34.053,61.055,60.020,63.040,62]trihexaconta-2,4,6,9,11,13,16,18,20(63),22,24,26,29,31,33,36,38,40(62),42,44,46,49(61),50,52,55,57,59-heptacosaene
CID 163782539
9-(37-carbazol-9-yl-21,40-dioxa-27,34-dithia-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15,17,19,22(48),23,25,28,32,35,37,39(47),41,43,45-henicosaen-24-yl)carbazole;9-(37-carbazol-9-yl-27,34-dioxa-21,40-dithia-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15,17,19,22,24,26(48),28,32,35(47),36,38,41,43,45-henicosaen-24-yl)carbazole;27,34-dioxa-21,40-dithia-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15,17,19,22,24,26(48),28,32,35(47),36,38,41,43,45-henicosaene;21,40-diphenyl-27,34-dithia-21,40-diaza-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15,17,19,22(48),23,25,28,32,35,37,39(47),41,43,45-henicosaene;18-N,18-N,43-N,43-N,21,40-hexakis-phenyl-27,34-dithia-21,40-diaza-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15(20),16,18,22(48),23,25,28,32,35,37,39(47),41(46),42,44-henicosaene-18,43-diamine;18-N,18-N,43-N,43-N-tetraphenyl-21,40-dioxa-27,34-dithia-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15(20),16,18,22(48),23,25,28,32,35,37,39(47),41(46),42,44-henicosaene-18,43-diamine;24-N,24-N,37-N,37-N-tetraphenyl-21,40-dioxa-27,34-dithia-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15,17,19,22(48),23,25,28,32,35,37,39(47),41,43,45-henicosaene-24,37-diamine;24-N,24-N,37-N,37-N-tetraphenyl-27,34-dioxa-21,40-dithia-1,14-diboradodecacyclo[33.11.1.114,22.02,33.04,31.05,10.011,30.013,28.015,20.039,47.041,46.026,48]octatetraconta-2,4(31),5,7,9,11(30),12,15,17,19,22,24,26(48),28,32,35(47),36,38,41,43,45-henicosaene-24,37-diamine
CID 163614956
N,N-diphenyl-5-[2,4,6-tri(propan-2-yl)phenyl]-12,16-dioxa-22-thia-1,5-diboraheptacyclo[15.11.1.02,15.04,13.06,11.021,29.023,28]nonacosa-2,4(13),6(11),7,9,14,17(29),18,20,23,25,27-dodecaen-9-amine;N,N-diphenyl-5-[2,4,6-tri(propan-2-yl)phenyl]-12,16,22-trioxa-1,5-diboraheptacyclo[15.11.1.02,15.04,13.06,11.021,29.023,28]nonacosa-2,4(13),6(11),7,9,14,17,19,21(29),23,25,27-dodecaen-9-amine;N,N,22-triphenyl-5-[2,4,6-tri(propan-2-yl)phenyl]-12,16-dithia-22-aza-1,5-diboraheptacyclo[15.11.1.02,15.04,13.06,11.021,29.023,28]nonacosa-2,4(13),6(11),7,9,14,17,19,21(29),23,25,27-dodecaen-9-amine;N,N,22-triphenyl-5-[2,4,6-tri(propan-2-yl)phenyl]-12-oxa-16-thia-22-aza-1,5-diboraheptacyclo[15.11.1.02,15.04,13.06,11.021,29.023,28]nonacosa-2(15),3,6(11),7,9,13,17,19,21(29),23,25,27-dodecaen-9-amine
CID 165054874
22,28-diphenyl-11-oxa-5-thia-3,22,28-triaza-1,18-diboranonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2(21),3,6,8,10(36),12,14,16,19,23,25,27(35),29,31,33-pentadecaene
CID 163542789
36,50-diphenyl-30,40,46,56-tetraoxa-12,36,50-triaza-1,5,19,23-tetraboraheptadecacyclo[49.11.1.123,31.141,45.02,49.04,47.05,44.06,11.012,43.013,18.019,42.020,39.022,37.024,29.055,63.057,62.035,65]pentahexaconta-2,4(47),6,8,10,13,15,17,20(39),21,24,26,28,31,33,35(65),37,41,43,45(64),48,51(63),52,54,57,59,61-heptacosaene
CID 164757267
25,31,35-triphenyl-15,21,41-trioxa-7,49-dithia-25,31,35-triaza-1,5,51-triborapentadecacyclo[28.24.1.15,16.136,40.02,24.04,22.06,14.08,13.026,55.032,54.034,52.042,50.043,48.020,57.051,56]heptapentaconta-2,4(22),6(14),8,10,12,16,18,20(57),23,26,28,30(55),32,34(52),36(56),37,39,42(50),43,45,47,53-tricosaene
CID 162714558
22-phenyl-11-[3-(22-phenyl-8,14-dioxa-22-aza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]-8,14-dioxa-22-aza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene;22-phenyl-11-[4-(22-phenyl-8-oxa-14-thia-22-aza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaen-11-yl)phenyl]-8-oxa-14-thia-22-aza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene;8,14,22-triphenyl-5-[4-(8,14,22-triphenyl-8,14,22-triaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)phenyl]-8,14,22-triaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene
CID 158402798
5-(2,6-diphenylphenyl)-12,16-dioxa-22-thia-1,5-diboraheptacyclo[15.11.1.02,15.04,13.06,11.021,29.023,28]nonacosa-2(15),3,6,8,10,13,17(29),18,20,23,25,27-dodecaene;5-(2,6-diphenylphenyl)-12,22-dioxa-16-thia-1,5-diboraheptacyclo[15.11.1.02,15.04,13.06,11.021,29.023,28]nonacosa-2(15),3,6,8,10,13,17,19,21(29),23,25,27-dodecaene;5-(2,6-diphenylphenyl)-16,22-dioxa-12-thia-1,5-diboraheptacyclo[15.11.1.02,15.04,13.06,11.021,29.023,28]nonacosa-2,4(13),6,8,10,14,17,19,21(29),23,25,27-dodecaene;5-(2,6-diphenylphenyl)-12-oxa-16,22-dithia-1,5-diboraheptacyclo[15.11.1.02,15.04,13.06,11.021,29.023,28]nonacosa-2(15),3,6,8,10,13,17,19,21(29),23,25,27-dodecaene;5-(2,6-diphenylphenyl)-16-oxa-12,22-dithia-1,5-diboraheptacyclo[15.11.1.02,15.04,13.06,11.021,29.023,28]nonacosa-2,4(13),6,8,10,14,17(29),18,20,23,25,27-dodecaene;5-(2,6-diphenylphenyl)-12,16,22-trioxa-1,5-diboraheptacyclo[15.11.1.02,15.04,13.06,11.021,29.023,28]nonacosa-2(15),3,6,8,10,13,17,19,21(29),23,25,27-dodecaene
CID 165048106
14-(2-dibenzofuran-4-ylphenyl)-8-oxa-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8-(2-dibenzofuran-3-ylphenyl)-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8-(2-dibenzofuran-4-ylphenyl)-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;14-(2-dibenzofuran-4-ylphenyl)-8-thia-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 165087071

Frequently Asked Questions

What is the IUPAC name of 41,48-diphenyl-21-oxa-15,35,54-trithia-41,48-diaza-1,8,28-triborahexadecacyclo[47.11.1.18,16.128,36.02,47.04,45.05,24.07,22.09,14.025,44.027,42.029,34.053,61.055,60.020,63.040,62]trihexaconta-2,4,6,9,11,13,16,18,20(63),22,24,26,29,31,33,36,38,40(62),42,44,46,49(61),50,52,55,57,59-heptacosaene?
The IUPAC name of 41,48-diphenyl-21-oxa-15,35,54-trithia-41,48-diaza-1,8,28-triborahexadecacyclo[47.11.1.18,16.128,36.02,47.04,45.05,24.07,22.09,14.025,44.027,42.029,34.053,61.055,60.020,63.040,62]trihexaconta-2,4,6,9,11,13,16,18,20(63),22,24,26,29,31,33,36,38,40(62),42,44,46,49(61),50,52,55,57,59-heptacosaene (CID 163509775) is 41,48-diphenyl-21-oxa-15,35,54-trithia-41,48-diaza-1,8,28-triborahexadecacyclo[47.11.1.18,16.128,36.02,47.04,45.05,24.07,22.09,14.025,44.027,42.029,34.053,61.055,60.020,63.040,62]trihexaconta-2,4,6,9,11,13,16,18,20(63),22,24,26,29,31,33,36,38,40(62),42,44,46,49(61),50,52,55,57,59-heptacosaene.
What is the SMILES notation for 41,48-diphenyl-21-oxa-15,35,54-trithia-41,48-diaza-1,8,28-triborahexadecacyclo[47.11.1.18,16.128,36.02,47.04,45.05,24.07,22.09,14.025,44.027,42.029,34.053,61.055,60.020,63.040,62]trihexaconta-2,4,6,9,11,13,16,18,20(63),22,24,26,29,31,33,36,38,40(62),42,44,46,49(61),50,52,55,57,59-heptacosaene?
The canonical SMILES for 41,48-diphenyl-21-oxa-15,35,54-trithia-41,48-diaza-1,8,28-triborahexadecacyclo[47.11.1.18,16.128,36.02,47.04,45.05,24.07,22.09,14.025,44.027,42.029,34.053,61.055,60.020,63.040,62]trihexaconta-2,4,6,9,11,13,16,18,20(63),22,24,26,29,31,33,36,38,40(62),42,44,46,49(61),50,52,55,57,59-heptacosaene is c1ccc(N2c3cc4c(cc3B3c5ccccc5Sc5cccc2c53)c2cc3c(cc2c2cc5c(cc24)N(c2ccccc2)c2cccc4c2B5c2ccccc2S4)B2c4ccccc4Sc4cccc(c42)O3)cc1.
What is the InChIKey of 41,48-diphenyl-21-oxa-15,35,54-trithia-41,48-diaza-1,8,28-triborahexadecacyclo[47.11.1.18,16.128,36.02,47.04,45.05,24.07,22.09,14.025,44.027,42.029,34.053,61.055,60.020,63.040,62]trihexaconta-2,4,6,9,11,13,16,18,20(63),22,24,26,29,31,33,36,38,40(62),42,44,46,49(61),50,52,55,57,59-heptacosaene?
The InChIKey is CIIFXOACNATWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H37B3N2OS3/c1-3-16-38(17-4-1)70-52-23-13-29-61-64(52)67(46-20-7-10-26-58(46)73-61)49-32-40-42-34-51-57(72-56-25-15-31-63-66(56)69(51)48-22-9-12-28-60(48)75-63)37-45(42)41-33-50-55(36-44(41)43(40)35-54(49)70)71(39-18-5-2-6-19-39)53-24-14-30-62-65(53)68(50)47-21-8-11-27-59(47)74-62/h1-37H.
What are the key properties of 41,48-diphenyl-21-oxa-15,35,54-trithia-41,48-diaza-1,8,28-triborahexadecacyclo[47.11.1.18,16.128,36.02,47.04,45.05,24.07,22.09,14.025,44.027,42.029,34.053,61.055,60.020,63.040,62]trihexaconta-2,4,6,9,11,13,16,18,20(63),22,24,26,29,31,33,36,38,40(62),42,44,46,49(61),50,52,55,57,59-heptacosaene?
41,48-diphenyl-21-oxa-15,35,54-trithia-41,48-diaza-1,8,28-triborahexadecacyclo[47.11.1.18,16.128,36.02,47.04,45.05,24.07,22.09,14.025,44.027,42.029,34.053,61.055,60.020,63.040,62]trihexaconta-2,4,6,9,11,13,16,18,20(63),22,24,26,29,31,33,36,38,40(62),42,44,46,49(61),50,52,55,57,59-heptacosaene has a molecular weight of 1002.67 g/mol, XLogP of 11.76, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 41,48-diphenyl-21-oxa-15,35,54-trithia-41,48-diaza-1,8,28-triborahexadecacyclo[47.11.1.18,16.128,36.02,47.04,45.05,24.07,22.09,14.025,44.027,42.029,34.053,61.055,60.020,63.040,62]trihexaconta-2,4,6,9,11,13,16,18,20(63),22,24,26,29,31,33,36,38,40(62),42,44,46,49(61),50,52,55,57,59-heptacosaene is sourced from PubChem (CID 163509775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).