8,30-di(carbazol-9-yl)-11,33-dioxa-5,27-diaza-18,40-diboratridecacyclo[25.17.1.15,19.16,10.128,32.02,26.04,24.012,17.034,39.041,45.018,48.023,47.040,46]octatetraconta-1(44),2,4(24),6(48),7,9,12,14,16,19(47),20,22,25,28(46),29,31,34,36,38,41(45),42-henicosaene;8,30-di(carbazol-9-yl)-11,33-diphenyl-5,11,27,33-tetraza-18,40-diboratridecacyclo[25.17.1.15,19.16,10.128,32.02,26.04,24.012,17.034,39.041,45.018,48.023,47.040,46]octatetraconta-1(44),2,4(24),6(48),7,9,12,14,16,19(47),20,22,25,28(46),29,31,34,36,38,41(45),42-henicosaene;8,30-di(carbazol-9-yl)-11,33-dithia-5,27-diaza-18,40-diboratridecacyclo[25.17.1.15,19.16,10.128,32.02,26.04,24.012,17.034,39.041,45.018,48.023,47.040,46]octatetraconta-1(44),2,4(24),6(48),7,9,12,14,16,19(47),20,22,25,28(46),29,31,34,36,38,41(45),42-henicosaene;13,14,15,16,34,35,36,37-octadeuterio-11-(2,3,4,5,6-pentadeuteriophenyl)-39-(2,3,4,5-tetradeuteriophenyl)-1,5,11,39-tetraza-18,32-diboratridecacyclo[25.17.1.15,19.16,10.132,40.02,26.04,24.012,17.031,45.033,38.018,48.023,47.044,46]octatetraconta-2,4(24),6(48),7,9,12,14,16,19(47),20,22,25,27,29,31(45),33,35,37,40,42,44(46)-henicosaene;8-N,8-N,30-N,30-N-tetraphenyl-11,33-dithia-5,27-diaza-18,40-diboratridecacyclo[25.17.1.15,19.16,10.128,32.02,26.04,24.012,17.034,39.041,45.018,48.023,47.040,46]octatetraconta-1(44),2,4(24),6(48),7,9,12,14,16,19(47),20,22,25,28(46),29,31,34,36,38,41(45),42-henicosaene-8,30-diamine

C330H190B10N22O2S4 — CID 158221751

About 8,30-di(carbazol-9-yl)-11,33-dioxa-5,27-diaza-18,40-diboratridecacyclo[25.17.1.15,19.16,10.128,32.02,26.04,24.012,17.034,39.041,45.018,48.023,47.040,46]octatetraconta-1(44),2,4(24),6(48),7,9,12,14,16,19(47),20,22,25,28(46),29,31,34,36,38,41(45),42-henicosaene;8,30-di(carbazol-9-yl)-11,33-diphenyl-5,11,27,33-tetraza-18,40-diboratridecacyclo[25.17.1.15,19.16,10.128,32.02,26.04,24.012,17.034,39.041,45.018,48.023,47.040,46]octatetraconta-1(44),2,4(24),6(48),7,9,12,14,16,19(47),20,22,25,28(46),29,31,34,36,38,41(45),42-henicosaene;8,30-di(carbazol-9-yl)-11,33-dithia-5,27-diaza-18,40-diboratridecacyclo[25.17.1.15,19.16,10.128,32.02,26.04,24.012,17.034,39.041,45.018,48.023,47.040,46]octatetraconta-1(44),2,4(24),6(48),7,9,12,14,16,19(47),20,22,25,28(46),29,31,34,36,38,41(45),42-henicosaene;13,14,15,16,34,35,36,37-octadeuterio-11-(2,3,4,5,6-pentadeuteriophenyl)-39-(2,3,4,5-tetradeuteriophenyl)-1,5,11,39-tetraza-18,32-diboratridecacyclo[25.17.1.15,19.16,10.132,40.02,26.04,24.012,17.031,45.033,38.018,48.023,47.044,46]octatetraconta-2,4(24),6(48),7,9,12,14,16,19(47),20,22,25,27,29,31(45),33,35,37,40,42,44(46)-henicosaene;8-N,8-N,30-N,30-N-tetraphenyl-11,33-dithia-5,27-diaza-18,40-diboratridecacyclo[25.17.1.15,19.16,10.128,32.02,26.04,24.012,17.034,39.041,45.018,48.023,47.040,46]octatetraconta-1(44),2,4(24),6(48),7,9,12,14,16,19(47),20,22,25,28(46),29,31,34,36,38,41(45),42-henicosaene-8,30-diamine

8,30-di(carbazol-9-yl)-11,33-dioxa-5,27-diaza-18,40-diboratridecacyclo[25.17.1.15,19.16,10.128,32.02,26.04,24.012,17.034,39.041,45.018,48.023,47.040,46]octatetraconta-1(44),2,4(24),6(48),7,9,12,14,16,19(47),20,22,25,28(46),29,31,34,36,38,41(45),42-henicosaene;8,30-di(carbazol-9-yl)-11,33-diphenyl-5,11,27,33-tetraza-18,40-diboratridecacyclo[25.17.1.15,19.16,10.128,32.02,26.04,24.012,17.034,39.041,45.018,48.023,47.040,46]octatetraconta-1(44),2,4(24),6(48),7,9,12,14,16,19(47),20,22,25,28(46),29,31,34,36,38,41(45),42-henicosaene;8,30-di(carbazol-9-yl)-11,33-dithia-5,27-diaza-18,40-diboratridecacyclo[25.17.1.15,19.16,10.128,32.02,26.04,24.012,17.034,39.041,45.018,48.023,47.040,46]octatetraconta-1(44),2,4(24),6(48),7,9,12,14,16,19(47),20,22,25,28(46),29,31,34,36,38,41(45),42-henicosaene;13,14,15,16,34,35,36,37-octadeuterio-11-(2,3,4,5,6-pentadeuteriophenyl)-39-(2,3,4,5-tetradeuteriophenyl)-1,5,11,39-tetraza-18,32-diboratridecacyclo[25.17.1.15,19.16,10.132,40.02,26.04,24.012,17.031,45.033,38.018,48.023,47.044,46]octatetraconta-2,4(24),6(48),7,9,12,14,16,19(47),20,22,25,27,29,31(45),33,35,37,40,42,44(46)-henicosaene;8-N,8-N,30-N,30-N-tetraphenyl-11,33-dithia-5,27-diaza-18,40-diboratridecacyclo[25.17.1.15,19.16,10.128,32.02,26.04,24.012,17.034,39.041,45.018,48.023,47.040,46]octatetraconta-1(44),2,4(24),6(48),7,9,12,14,16,19(47),20,22,25,28(46),29,31,34,36,38,41(45),42-henicosaene-8,30-diamine (PubChem CID 158221751) has the molecular formula C330H190B10N22O2S4 and a molecular weight of 4748.79 g/mol. Its IUPAC name is 8,30-di(carbazol-9-yl)-11,33-dioxa-5,27-diaza-18,40-diboratridecacyclo[25.17.1.15,19.16,10.128,32.02,26.04,24.012,17.034,39.041,45.018,48.023,47.040,46]octatetraconta-1(44),2,4(24),6(48),7,9,12,14,16,19(47),20,22,25,28(46),29,31,34,36,38,41(45),42-henicosaene;8,30-di(carbazol-9-yl)-11,33-diphenyl-5,11,27,33-tetraza-18,40-diboratridecacyclo[25.17.1.15,19.16,10.128,32.02,26.04,24.012,17.034,39.041,45.018,48.023,47.040,46]octatetraconta-1(44),2,4(24),6(48),7,9,12,14,16,19(47),20,22,25,28(46),29,31,34,36,38,41(45),42-henicosaene;8,30-di(carbazol-9-yl)-11,33-dithia-5,27-diaza-18,40-diboratridecacyclo[25.17.1.15,19.16,10.128,32.02,26.04,24.012,17.034,39.041,45.018,48.023,47.040,46]octatetraconta-1(44),2,4(24),6(48),7,9,12,14,16,19(47),20,22,25,28(46),29,31,34,36,38,41(45),42-henicosaene;13,14,15,16,34,35,36,37-octadeuterio-11-(2,3,4,5,6-pentadeuteriophenyl)-39-(2,3,4,5-tetradeuteriophenyl)-1,5,11,39-tetraza-18,32-diboratridecacyclo[25.17.1.15,19.16,10.132,40.02,26.04,24.012,17.031,45.033,38.018,48.023,47.044,46]octatetraconta-2,4(24),6(48),7,9,12,14,16,19(47),20,22,25,27,29,31(45),33,35,37,40,42,44(46)-henicosaene;8-N,8-N,30-N,30-N-tetraphenyl-11,33-dithia-5,27-diaza-18,40-diboratridecacyclo[25.17.1.15,19.16,10.128,32.02,26.04,24.012,17.034,39.041,45.018,48.023,47.040,46]octatetraconta-1(44),2,4(24),6(48),7,9,12,14,16,19(47),20,22,25,28(46),29,31,34,36,38,41(45),42-henicosaene-8,30-diamine.

Molecular Properties

• Compound Name: 8,30-di(carbazol-9-yl)-11,33-dioxa-5,27-diaza-18,40-diboratridecacyclo[25.17.1.15,19.16,10.128,32.02,26.04,24.012,17.034,39.041,45.018,48.023,47.040,46]octatetraconta-1(44),2,4(24),6(48),7,9,12,14,16,19(47),20,22,25,28(46),29,31,34,36,38,41(45),42-henicosaene;8,30-di(carbazol-9-yl)-11,33-diphenyl-5,11,27,33-tetraza-18,40-diboratridecacyclo[25.17.1.15,19.16,10.128,32.02,26.04,24.012,17.034,39.041,45.018,48.023,47.040,46]octatetraconta-1(44),2,4(24),6(48),7,9,12,14,16,19(47),20,22,25,28(46),29,31,34,36,38,41(45),42-henicosaene;8,30-di(carbazol-9-yl)-11,33-dithia-5,27-diaza-18,40-diboratridecacyclo[25.17.1.15,19.16,10.128,32.02,26.04,24.012,17.034,39.041,45.018,48.023,47.040,46]octatetraconta-1(44),2,4(24),6(48),7,9,12,14,16,19(47),20,22,25,28(46),29,31,34,36,38,41(45),42-henicosaene;13,14,15,16,34,35,36,37-octadeuterio-11-(2,3,4,5,6-pentadeuteriophenyl)-39-(2,3,4,5-tetradeuteriophenyl)-1,5,11,39-tetraza-18,32-diboratridecacyclo[25.17.1.15,19.16,10.132,40.02,26.04,24.012,17.031,45.033,38.018,48.023,47.044,46]octatetraconta-2,4(24),6(48),7,9,12,14,16,19(47),20,22,25,27,29,31(45),33,35,37,40,42,44(46)-henicosaene;8-N,8-N,30-N,30-N-tetraphenyl-11,33-dithia-5,27-diaza-18,40-diboratridecacyclo[25.17.1.15,19.16,10.128,32.02,26.04,24.012,17.034,39.041,45.018,48.023,47.040,46]octatetraconta-1(44),2,4(24),6(48),7,9,12,14,16,19(47),20,22,25,28(46),29,31,34,36,38,41(45),42-henicosaene-8,30-diamine
• PubChem CID: 158221751
• Molecular Formula: C330H190B10N22O2S4
• Molecular Weight: 4748.79 g/mol
• Exact Mass: 4746.63
• IUPAC Name: 8,30-di(carbazol-9-yl)-11,33-dioxa-5,27-diaza-18,40-diboratridecacyclo[25.17.1.15,19.16,10.128,32.02,26.04,24.012,17.034,39.041,45.018,48.023,47.040,46]octatetraconta-1(44),2,4(24),6(48),7,9,12,14,16,19(47),20,22,25,28(46),29,31,34,36,38,41(45),42-henicosaene;8,30-di(carbazol-9-yl)-11,33-diphenyl-5,11,27,33-tetraza-18,40-diboratridecacyclo[25.17.1.15,19.16,10.128,32.02,26.04,24.012,17.034,39.041,45.018,48.023,47.040,46]octatetraconta-1(44),2,4(24),6(48),7,9,12,14,16,19(47),20,22,25,28(46),29,31,34,36,38,41(45),42-henicosaene;8,30-di(carbazol-9-yl)-11,33-dithia-5,27-diaza-18,40-diboratridecacyclo[25.17.1.15,19.16,10.128,32.02,26.04,24.012,17.034,39.041,45.018,48.023,47.040,46]octatetraconta-1(44),2,4(24),6(48),7,9,12,14,16,19(47),20,22,25,28(46),29,31,34,36,38,41(45),42-henicosaene;13,14,15,16,34,35,36,37-octadeuterio-11-(2,3,4,5,6-pentadeuteriophenyl)-39-(2,3,4,5-tetradeuteriophenyl)-1,5,11,39-tetraza-18,32-diboratridecacyclo[25.17.1.15,19.16,10.132,40.02,26.04,24.012,17.031,45.033,38.018,48.023,47.044,46]octatetraconta-2,4(24),6(48),7,9,12,14,16,19(47),20,22,25,27,29,31(45),33,35,37,40,42,44(46)-henicosaene;8-N,8-N,30-N,30-N-tetraphenyl-11,33-dithia-5,27-diaza-18,40-diboratridecacyclo[25.17.1.15,19.16,10.128,32.02,26.04,24.012,17.034,39.041,45.018,48.023,47.040,46]octatetraconta-1(44),2,4(24),6(48),7,9,12,14,16,19(47),20,22,25,28(46),29,31,34,36,38,41(45),42-henicosaene-8,30-diamine
• SMILES: [2H]c1cc(N2c3cccc4c3B(c3c([2H])c([2H])c([2H])c([2H])c32)c2cccc3c5cc6c7cccc8c7n(c6cc5n-4c23)-c2cccc3c2B8c2c([2H])c([2H])c([2H])c([2H])c2N3c2c([2H])c([2H])c([2H])c([2H])c2[2H])c([2H])c([2H])c1[2H].c1ccc(N(c2ccccc2)c2cc3c4c(c2)-n2c5cc6c7cccc8c7n(c6cc5c5cccc(c52)B4c2ccccc2S3)-c2cc(N(c3ccccc3)c3ccccc3)cc3c2B8c2ccccc2S3)cc1.c1ccc(N2c3ccccc3B3c4c2cc(-n2c5ccccc5c5ccccc52)cc4-n2c4cc5c6cccc7c6n(c5cc4c4cccc3c42)-c2cc(-n3c4ccccc4c4ccccc43)cc3c2B7c2ccccc2N3c2ccccc2)cc1.c1ccc2c(c1)Oc1cc(-n3c4ccccc4c4ccccc43)cc3c1B2c1cccc2c4cc5c(cc4n-3c12)c1cccc2c1n5-c1cc(-n3c4ccccc4c4ccccc43)cc3c1B2c1ccccc1O3.c1ccc2c(c1)Sc1cc(-n3c4ccccc4c4ccccc43)cc3c1B2c1cccc2c4cc5c(cc4n-3c12)c1cccc2c1n5-c1cc(-n3c4ccccc4c4ccccc43)cc3c1B2c1ccccc1S3
• InChI: InChI=1S/C78H46B2N6.C66H36B2N4O2.C66H36B2N4S2.C66H40B2N4S2.C54H32B2N4/c1-3-21-47(22-4-1)81-67-39-17-11-31-59(67)79-61-33-19-29-55-57-46-70-58(45-69(57)85(77(55)61)73-43-49(41-71(81)75(73)79)83-63-35-13-7-25-51(63)52-26-8-14-36-64(52)83)56-30-20-34-62-78(56)86(70)74-44-50(84-65-37-15-9-27-53(65)54-28-10-16-38-66(54)84)42-72-76(74)80(62)60-32-12-18-40-68(60)82(72)48-23-5-2-6-24-48;2*1-7-25-51-39(15-1)40-16-2-8-26-52(40)69(51)37-31-57-63-61(33-37)73-59-29-11-5-21-47(59)67(63)49-23-13-19-43-45-36-56-46(35-55(45)71(57)65(43)49)44-20-14-24-50-66(44)72(56)58-32-38(34-62-64(58)68(50)48-22-6-12-30-60(48)74-62)70-53-27-9-3-17-41(53)42-18-4-10-28-54(42)70;1-5-19-41(20-6-1)69(42-21-7-2-8-22-42)45-35-57-63-61(37-45)73-59-33-15-13-29-51(59)67(63)53-31-17-27-47-49-40-56-50(39-55(49)71(57)65(47)53)48-28-18-32-54-66(48)72(56)58-36-46(38-62-64(58)68(54)52-30-14-16-34-60(52)74-62)70(43-23-9-3-10-24-43)44-25-11-4-12-26-44;1-3-15-33(16-4-1)57-43-25-9-7-21-39(43)55-41-23-11-19-35-37-31-38-36-20-12-24-42-54(36)60(50(38)32-49(37)59(53(35)41)47-29-13-27-45(57)51(47)55)48-30-14-28-46-52(48)56(42)40-22-8-10-26-44(40)58(46)34-17-5-2-6-18-34/h1-46H;2*1-36H;1-40H;1-32H/i;;;;1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,15D,16D,17D,21D,22D,25D,26D
• InChIKey: GDIBQYQAYRFJPF-YGDVVJCMSA-N
• XLogP: 62.42
• TPSA: 116.78 Ų
• H-Bond Acceptors: 28
• Rotatable Bonds: 16
• Heavy Atoms: 368
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4748.79
LogP ≤ 5	62.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 8,30-di(carbazol-9-yl)-11,33-dioxa-5,27-diaza-18,40-diboratridecacyclo[25.17.1.15,19.16,10.128,32.02,26.04,24.012,17.034,39.041,45.018,48.023,47.040,46]octatetraconta-1(44),2,4(24),6(48),7,9,12,14,16,19(47),20,22,25,28(46),29,31,34,36,38,41(45),42-henicosaene;8,30-di(carbazol-9-yl)-11,33-diphenyl-5,11,27,33-tetraza-18,40-diboratridecacyclo[25.17.1.15,19.16,10.128,32.02,26.04,24.012,17.034,39.041,45.018,48.023,47.040,46]octatetraconta-1(44),2,4(24),6(48),7,9,12,14,16,19(47),20,22,25,28(46),29,31,34,36,38,41(45),42-henicosaene;8,30-di(carbazol-9-yl)-11,33-dithia-5,27-diaza-18,40-diboratridecacyclo[25.17.1.15,19.16,10.128,32.02,26.04,24.012,17.034,39.041,45.018,48.023,47.040,46]octatetraconta-1(44),2,4(24),6(48),7,9,12,14,16,19(47),20,22,25,28(46),29,31,34,36,38,41(45),42-henicosaene;13,14,15,16,34,35,36,37-octadeuterio-11-(2,3,4,5,6-pentadeuteriophenyl)-39-(2,3,4,5-tetradeuteriophenyl)-1,5,11,39-tetraza-18,32-diboratridecacyclo[25.17.1.15,19.16,10.132,40.02,26.04,24.012,17.031,45.033,38.018,48.023,47.044,46]octatetraconta-2,4(24),6(48),7,9,12,14,16,19(47),20,22,25,27,29,31(45),33,35,37,40,42,44(46)-henicosaene;8-N,8-N,30-N,30-N-tetraphenyl-11,33-dithia-5,27-diaza-18,40-diboratridecacyclo[25.17.1.15,19.16,10.128,32.02,26.04,24.012,17.034,39.041,45.018,48.023,47.040,46]octatetraconta-1(44),2,4(24),6(48),7,9,12,14,16,19(47),20,22,25,28(46),29,31,34,36,38,41(45),42-henicosaene-8,30-diamine?

The IUPAC name of 8,30-di(carbazol-9-yl)-11,33-dioxa-5,27-diaza-18,40-diboratridecacyclo[25.17.1.15,19.16,10.128,32.02,26.04,24.012,17.034,39.041,45.018,48.023,47.040,46]octatetraconta-1(44),2,4(24),6(48),7,9,12,14,16,19(47),20,22,25,28(46),29,31,34,36,38,41(45),42-henicosaene;8,30-di(carbazol-9-yl)-11,33-diphenyl-5,11,27,33-tetraza-18,40-diboratridecacyclo[25.17.1.15,19.16,10.128,32.02,26.04,24.012,17.034,39.041,45.018,48.023,47.040,46]octatetraconta-1(44),2,4(24),6(48),7,9,12,14,16,19(47),20,22,25,28(46),29,31,34,36,38,41(45),42-henicosaene;8,30-di(carbazol-9-yl)-11,33-dithia-5,27-diaza-18,40-diboratridecacyclo[25.17.1.15,19.16,10.128,32.02,26.04,24.012,17.034,39.041,45.018,48.023,47.040,46]octatetraconta-1(44),2,4(24),6(48),7,9,12,14,16,19(47),20,22,25,28(46),29,31,34,36,38,41(45),42-henicosaene;13,14,15,16,34,35,36,37-octadeuterio-11-(2,3,4,5,6-pentadeuteriophenyl)-39-(2,3,4,5-tetradeuteriophenyl)-1,5,11,39-tetraza-18,32-diboratridecacyclo[25.17.1.15,19.16,10.132,40.02,26.04,24.012,17.031,45.033,38.018,48.023,47.044,46]octatetraconta-2,4(24),6(48),7,9,12,14,16,19(47),20,22,25,27,29,31(45),33,35,37,40,42,44(46)-henicosaene;8-N,8-N,30-N,30-N-tetraphenyl-11,33-dithia-5,27-diaza-18,40-diboratridecacyclo[25.17.1.15,19.16,10.128,32.02,26.04,24.012,17.034,39.041,45.018,48.023,47.040,46]octatetraconta-1(44),2,4(24),6(48),7,9,12,14,16,19(47),20,22,25,28(46),29,31,34,36,38,41(45),42-henicosaene-8,30-diamine (CID 158221751) is 8,30-di(carbazol-9-yl)-11,33-dioxa-5,27-diaza-18,40-diboratridecacyclo[25.17.1.15,19.16,10.128,32.02,26.04,24.012,17.034,39.041,45.018,48.023,47.040,46]octatetraconta-1(44),2,4(24),6(48),7,9,12,14,16,19(47),20,22,25,28(46),29,31,34,36,38,41(45),42-henicosaene;8,30-di(carbazol-9-yl)-11,33-diphenyl-5,11,27,33-tetraza-18,40-diboratridecacyclo[25.17.1.15,19.16,10.128,32.02,26.04,24.012,17.034,39.041,45.018,48.023,47.040,46]octatetraconta-1(44),2,4(24),6(48),7,9,12,14,16,19(47),20,22,25,28(46),29,31,34,36,38,41(45),42-henicosaene;8,30-di(carbazol-9-yl)-11,33-dithia-5,27-diaza-18,40-diboratridecacyclo[25.17.1.15,19.16,10.128,32.02,26.04,24.012,17.034,39.041,45.018,48.023,47.040,46]octatetraconta-1(44),2,4(24),6(48),7,9,12,14,16,19(47),20,22,25,28(46),29,31,34,36,38,41(45),42-henicosaene;13,14,15,16,34,35,36,37-octadeuterio-11-(2,3,4,5,6-pentadeuteriophenyl)-39-(2,3,4,5-tetradeuteriophenyl)-1,5,11,39-tetraza-18,32-diboratridecacyclo[25.17.1.15,19.16,10.132,40.02,26.04,24.012,17.031,45.033,38.018,48.023,47.044,46]octatetraconta-2,4(24),6(48),7,9,12,14,16,19(47),20,22,25,27,29,31(45),33,35,37,40,42,44(46)-henicosaene;8-N,8-N,30-N,30-N-tetraphenyl-11,33-dithia-5,27-diaza-18,40-diboratridecacyclo[25.17.1.15,19.16,10.128,32.02,26.04,24.012,17.034,39.041,45.018,48.023,47.040,46]octatetraconta-1(44),2,4(24),6(48),7,9,12,14,16,19(47),20,22,25,28(46),29,31,34,36,38,41(45),42-henicosaene-8,30-diamine.

What is the SMILES notation for 8,30-di(carbazol-9-yl)-11,33-dioxa-5,27-diaza-18,40-diboratridecacyclo[25.17.1.15,19.16,10.128,32.02,26.04,24.012,17.034,39.041,45.018,48.023,47.040,46]octatetraconta-1(44),2,4(24),6(48),7,9,12,14,16,19(47),20,22,25,28(46),29,31,34,36,38,41(45),42-henicosaene;8,30-di(carbazol-9-yl)-11,33-diphenyl-5,11,27,33-tetraza-18,40-diboratridecacyclo[25.17.1.15,19.16,10.128,32.02,26.04,24.012,17.034,39.041,45.018,48.023,47.040,46]octatetraconta-1(44),2,4(24),6(48),7,9,12,14,16,19(47),20,22,25,28(46),29,31,34,36,38,41(45),42-henicosaene;8,30-di(carbazol-9-yl)-11,33-dithia-5,27-diaza-18,40-diboratridecacyclo[25.17.1.15,19.16,10.128,32.02,26.04,24.012,17.034,39.041,45.018,48.023,47.040,46]octatetraconta-1(44),2,4(24),6(48),7,9,12,14,16,19(47),20,22,25,28(46),29,31,34,36,38,41(45),42-henicosaene;13,14,15,16,34,35,36,37-octadeuterio-11-(2,3,4,5,6-pentadeuteriophenyl)-39-(2,3,4,5-tetradeuteriophenyl)-1,5,11,39-tetraza-18,32-diboratridecacyclo[25.17.1.15,19.16,10.132,40.02,26.04,24.012,17.031,45.033,38.018,48.023,47.044,46]octatetraconta-2,4(24),6(48),7,9,12,14,16,19(47),20,22,25,27,29,31(45),33,35,37,40,42,44(46)-henicosaene;8-N,8-N,30-N,30-N-tetraphenyl-11,33-dithia-5,27-diaza-18,40-diboratridecacyclo[25.17.1.15,19.16,10.128,32.02,26.04,24.012,17.034,39.041,45.018,48.023,47.040,46]octatetraconta-1(44),2,4(24),6(48),7,9,12,14,16,19(47),20,22,25,28(46),29,31,34,36,38,41(45),42-henicosaene-8,30-diamine?

The canonical SMILES for 8,30-di(carbazol-9-yl)-11,33-dioxa-5,27-diaza-18,40-diboratridecacyclo[25.17.1.15,19.16,10.128,32.02,26.04,24.012,17.034,39.041,45.018,48.023,47.040,46]octatetraconta-1(44),2,4(24),6(48),7,9,12,14,16,19(47),20,22,25,28(46),29,31,34,36,38,41(45),42-henicosaene;8,30-di(carbazol-9-yl)-11,33-diphenyl-5,11,27,33-tetraza-18,40-diboratridecacyclo[25.17.1.15,19.16,10.128,32.02,26.04,24.012,17.034,39.041,45.018,48.023,47.040,46]octatetraconta-1(44),2,4(24),6(48),7,9,12,14,16,19(47),20,22,25,28(46),29,31,34,36,38,41(45),42-henicosaene;8,30-di(carbazol-9-yl)-11,33-dithia-5,27-diaza-18,40-diboratridecacyclo[25.17.1.15,19.16,10.128,32.02,26.04,24.012,17.034,39.041,45.018,48.023,47.040,46]octatetraconta-1(44),2,4(24),6(48),7,9,12,14,16,19(47),20,22,25,28(46),29,31,34,36,38,41(45),42-henicosaene;13,14,15,16,34,35,36,37-octadeuterio-11-(2,3,4,5,6-pentadeuteriophenyl)-39-(2,3,4,5-tetradeuteriophenyl)-1,5,11,39-tetraza-18,32-diboratridecacyclo[25.17.1.15,19.16,10.132,40.02,26.04,24.012,17.031,45.033,38.018,48.023,47.044,46]octatetraconta-2,4(24),6(48),7,9,12,14,16,19(47),20,22,25,27,29,31(45),33,35,37,40,42,44(46)-henicosaene;8-N,8-N,30-N,30-N-tetraphenyl-11,33-dithia-5,27-diaza-18,40-diboratridecacyclo[25.17.1.15,19.16,10.128,32.02,26.04,24.012,17.034,39.041,45.018,48.023,47.040,46]octatetraconta-1(44),2,4(24),6(48),7,9,12,14,16,19(47),20,22,25,28(46),29,31,34,36,38,41(45),42-henicosaene-8,30-diamine is [2H]c1cc(N2c3cccc4c3B(c3c([2H])c([2H])c([2H])c([2H])c32)c2cccc3c5cc6c7cccc8c7n(c6cc5n-4c23)-c2cccc3c2B8c2c([2H])c([2H])c([2H])c([2H])c2N3c2c([2H])c([2H])c([2H])c([2H])c2[2H])c([2H])c([2H])c1[2H].c1ccc(N(c2ccccc2)c2cc3c4c(c2)-n2c5cc6c7cccc8c7n(c6cc5c5cccc(c52)B4c2ccccc2S3)-c2cc(N(c3ccccc3)c3ccccc3)cc3c2B8c2ccccc2S3)cc1.c1ccc(N2c3ccccc3B3c4c2cc(-n2c5ccccc5c5ccccc52)cc4-n2c4cc5c6cccc7c6n(c5cc4c4cccc3c42)-c2cc(-n3c4ccccc4c4ccccc43)cc3c2B7c2ccccc2N3c2ccccc2)cc1.c1ccc2c(c1)Oc1cc(-n3c4ccccc4c4ccccc43)cc3c1B2c1cccc2c4cc5c(cc4n-3c12)c1cccc2c1n5-c1cc(-n3c4ccccc4c4ccccc43)cc3c1B2c1ccccc1O3.c1ccc2c(c1)Sc1cc(-n3c4ccccc4c4ccccc43)cc3c1B2c1cccc2c4cc5c(cc4n-3c12)c1cccc2c1n5-c1cc(-n3c4ccccc4c4ccccc43)cc3c1B2c1ccccc1S3.

What is the InChIKey of 8,30-di(carbazol-9-yl)-11,33-dioxa-5,27-diaza-18,40-diboratridecacyclo[25.17.1.15,19.16,10.128,32.02,26.04,24.012,17.034,39.041,45.018,48.023,47.040,46]octatetraconta-1(44),2,4(24),6(48),7,9,12,14,16,19(47),20,22,25,28(46),29,31,34,36,38,41(45),42-henicosaene;8,30-di(carbazol-9-yl)-11,33-diphenyl-5,11,27,33-tetraza-18,40-diboratridecacyclo[25.17.1.15,19.16,10.128,32.02,26.04,24.012,17.034,39.041,45.018,48.023,47.040,46]octatetraconta-1(44),2,4(24),6(48),7,9,12,14,16,19(47),20,22,25,28(46),29,31,34,36,38,41(45),42-henicosaene;8,30-di(carbazol-9-yl)-11,33-dithia-5,27-diaza-18,40-diboratridecacyclo[25.17.1.15,19.16,10.128,32.02,26.04,24.012,17.034,39.041,45.018,48.023,47.040,46]octatetraconta-1(44),2,4(24),6(48),7,9,12,14,16,19(47),20,22,25,28(46),29,31,34,36,38,41(45),42-henicosaene;13,14,15,16,34,35,36,37-octadeuterio-11-(2,3,4,5,6-pentadeuteriophenyl)-39-(2,3,4,5-tetradeuteriophenyl)-1,5,11,39-tetraza-18,32-diboratridecacyclo[25.17.1.15,19.16,10.132,40.02,26.04,24.012,17.031,45.033,38.018,48.023,47.044,46]octatetraconta-2,4(24),6(48),7,9,12,14,16,19(47),20,22,25,27,29,31(45),33,35,37,40,42,44(46)-henicosaene;8-N,8-N,30-N,30-N-tetraphenyl-11,33-dithia-5,27-diaza-18,40-diboratridecacyclo[25.17.1.15,19.16,10.128,32.02,26.04,24.012,17.034,39.041,45.018,48.023,47.040,46]octatetraconta-1(44),2,4(24),6(48),7,9,12,14,16,19(47),20,22,25,28(46),29,31,34,36,38,41(45),42-henicosaene-8,30-diamine?

The InChIKey is GDIBQYQAYRFJPF-YGDVVJCMSA-N. The full InChI is InChI=1S/C78H46B2N6.C66H36B2N4O2.C66H36B2N4S2.C66H40B2N4S2.C54H32B2N4/c1-3-21-47(22-4-1)81-67-39-17-11-31-59(67)79-61-33-19-29-55-57-46-70-58(45-69(57)85(77(55)61)73-43-49(41-71(81)75(73)79)83-63-35-13-7-25-51(63)52-26-8-14-36-64(52)83)56-30-20-34-62-78(56)86(70)74-44-50(84-65-37-15-9-27-53(65)54-28-10-16-38-66(54)84)42-72-76(74)80(62)60-32-12-18-40-68(60)82(72)48-23-5-2-6-24-48;2*1-7-25-51-39(15-1)40-16-2-8-26-52(40)69(51)37-31-57-63-61(33-37)73-59-29-11-5-21-47(59)67(63)49-23-13-19-43-45-36-56-46(35-55(45)71(57)65(43)49)44-20-14-24-50-66(44)72(56)58-32-38(34-62-64(58)68(50)48-22-6-12-30-60(48)74-62)70-53-27-9-3-17-41(53)42-18-4-10-28-54(42)70;1-5-19-41(20-6-1)69(42-21-7-2-8-22-42)45-35-57-63-61(37-45)73-59-33-15-13-29-51(59)67(63)53-31-17-27-47-49-40-56-50(39-55(49)71(57)65(47)53)48-28-18-32-54-66(48)72(56)58-36-46(38-62-64(58)68(54)52-30-14-16-34-60(52)74-62)70(43-23-9-3-10-24-43)44-25-11-4-12-26-44;1-3-15-33(16-4-1)57-43-25-9-7-21-39(43)55-41-23-11-19-35-37-31-38-36-20-12-24-42-54(36)60(50(38)32-49(37)59(53(35)41)47-29-13-27-45(57)51(47)55)48-30-14-28-46-52(48)56(42)40-22-8-10-26-44(40)58(46)34-17-5-2-6-18-34/h1-46H;2*1-36H;1-40H;1-32H/i;;;;1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,15D,16D,17D,21D,22D,25D,26D.

What are the key properties of 8,30-di(carbazol-9-yl)-11,33-dioxa-5,27-diaza-18,40-diboratridecacyclo[25.17.1.15,19.16,10.128,32.02,26.04,24.012,17.034,39.041,45.018,48.023,47.040,46]octatetraconta-1(44),2,4(24),6(48),7,9,12,14,16,19(47),20,22,25,28(46),29,31,34,36,38,41(45),42-henicosaene;8,30-di(carbazol-9-yl)-11,33-diphenyl-5,11,27,33-tetraza-18,40-diboratridecacyclo[25.17.1.15,19.16,10.128,32.02,26.04,24.012,17.034,39.041,45.018,48.023,47.040,46]octatetraconta-1(44),2,4(24),6(48),7,9,12,14,16,19(47),20,22,25,28(46),29,31,34,36,38,41(45),42-henicosaene;8,30-di(carbazol-9-yl)-11,33-dithia-5,27-diaza-18,40-diboratridecacyclo[25.17.1.15,19.16,10.128,32.02,26.04,24.012,17.034,39.041,45.018,48.023,47.040,46]octatetraconta-1(44),2,4(24),6(48),7,9,12,14,16,19(47),20,22,25,28(46),29,31,34,36,38,41(45),42-henicosaene;13,14,15,16,34,35,36,37-octadeuterio-11-(2,3,4,5,6-pentadeuteriophenyl)-39-(2,3,4,5-tetradeuteriophenyl)-1,5,11,39-tetraza-18,32-diboratridecacyclo[25.17.1.15,19.16,10.132,40.02,26.04,24.012,17.031,45.033,38.018,48.023,47.044,46]octatetraconta-2,4(24),6(48),7,9,12,14,16,19(47),20,22,25,27,29,31(45),33,35,37,40,42,44(46)-henicosaene;8-N,8-N,30-N,30-N-tetraphenyl-11,33-dithia-5,27-diaza-18,40-diboratridecacyclo[25.17.1.15,19.16,10.128,32.02,26.04,24.012,17.034,39.041,45.018,48.023,47.040,46]octatetraconta-1(44),2,4(24),6(48),7,9,12,14,16,19(47),20,22,25,28(46),29,31,34,36,38,41(45),42-henicosaene-8,30-diamine?

8,30-di(carbazol-9-yl)-11,33-dioxa-5,27-diaza-18,40-diboratridecacyclo[25.17.1.15,19.16,10.128,32.02,26.04,24.012,17.034,39.041,45.018,48.023,47.040,46]octatetraconta-1(44),2,4(24),6(48),7,9,12,14,16,19(47),20,22,25,28(46),29,31,34,36,38,41(45),42-henicosaene;8,30-di(carbazol-9-yl)-11,33-diphenyl-5,11,27,33-tetraza-18,40-diboratridecacyclo[25.17.1.15,19.16,10.128,32.02,26.04,24.012,17.034,39.041,45.018,48.023,47.040,46]octatetraconta-1(44),2,4(24),6(48),7,9,12,14,16,19(47),20,22,25,28(46),29,31,34,36,38,41(45),42-henicosaene;8,30-di(carbazol-9-yl)-11,33-dithia-5,27-diaza-18,40-diboratridecacyclo[25.17.1.15,19.16,10.128,32.02,26.04,24.012,17.034,39.041,45.018,48.023,47.040,46]octatetraconta-1(44),2,4(24),6(48),7,9,12,14,16,19(47),20,22,25,28(46),29,31,34,36,38,41(45),42-henicosaene;13,14,15,16,34,35,36,37-octadeuterio-11-(2,3,4,5,6-pentadeuteriophenyl)-39-(2,3,4,5-tetradeuteriophenyl)-1,5,11,39-tetraza-18,32-diboratridecacyclo[25.17.1.15,19.16,10.132,40.02,26.04,24.012,17.031,45.033,38.018,48.023,47.044,46]octatetraconta-2,4(24),6(48),7,9,12,14,16,19(47),20,22,25,27,29,31(45),33,35,37,40,42,44(46)-henicosaene;8-N,8-N,30-N,30-N-tetraphenyl-11,33-dithia-5,27-diaza-18,40-diboratridecacyclo[25.17.1.15,19.16,10.128,32.02,26.04,24.012,17.034,39.041,45.018,48.023,47.040,46]octatetraconta-1(44),2,4(24),6(48),7,9,12,14,16,19(47),20,22,25,28(46),29,31,34,36,38,41(45),42-henicosaene-8,30-diamine has a molecular weight of 4748.79 g/mol, XLogP of 62.42, 16 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 8,30-di(carbazol-9-yl)-11,33-dioxa-5,27-diaza-18,40-diboratridecacyclo[25.17.1.15,19.16,10.128,32.02,26.04,24.012,17.034,39.041,45.018,48.023,47.040,46]octatetraconta-1(44),2,4(24),6(48),7,9,12,14,16,19(47),20,22,25,28(46),29,31,34,36,38,41(45),42-henicosaene;8,30-di(carbazol-9-yl)-11,33-diphenyl-5,11,27,33-tetraza-18,40-diboratridecacyclo[25.17.1.15,19.16,10.128,32.02,26.04,24.012,17.034,39.041,45.018,48.023,47.040,46]octatetraconta-1(44),2,4(24),6(48),7,9,12,14,16,19(47),20,22,25,28(46),29,31,34,36,38,41(45),42-henicosaene;8,30-di(carbazol-9-yl)-11,33-dithia-5,27-diaza-18,40-diboratridecacyclo[25.17.1.15,19.16,10.128,32.02,26.04,24.012,17.034,39.041,45.018,48.023,47.040,46]octatetraconta-1(44),2,4(24),6(48),7,9,12,14,16,19(47),20,22,25,28(46),29,31,34,36,38,41(45),42-henicosaene;13,14,15,16,34,35,36,37-octadeuterio-11-(2,3,4,5,6-pentadeuteriophenyl)-39-(2,3,4,5-tetradeuteriophenyl)-1,5,11,39-tetraza-18,32-diboratridecacyclo[25.17.1.15,19.16,10.132,40.02,26.04,24.012,17.031,45.033,38.018,48.023,47.044,46]octatetraconta-2,4(24),6(48),7,9,12,14,16,19(47),20,22,25,27,29,31(45),33,35,37,40,42,44(46)-henicosaene;8-N,8-N,30-N,30-N-tetraphenyl-11,33-dithia-5,27-diaza-18,40-diboratridecacyclo[25.17.1.15,19.16,10.128,32.02,26.04,24.012,17.034,39.041,45.018,48.023,47.040,46]octatetraconta-1(44),2,4(24),6(48),7,9,12,14,16,19(47),20,22,25,28(46),29,31,34,36,38,41(45),42-henicosaene-8,30-diamine is sourced from PubChem (CID 158221751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).