24-(2,6-diphenylphenyl)-N,N,12,18,35-pentakis-phenyl-22,26-dioxa-12,18,35-triaza-1,5-diboraundecacyclo[21.18.1.15,13.02,21.04,19.06,11.025,33.027,32.034,42.036,41.017,43]tritetraconta-2(21),3,6,8,10,13(43),14,16,19,23,25(33),27,29,31,34(42),36,38,40-octadecaen-15-amine;24-(2,6-diphenylphenyl)-N,N,12,35-tetraphenyl-22,26-dioxa-18-thia-12,35-diaza-1,5-diboraundecacyclo[21.18.1.15,13.02,21.04,19.06,11.025,33.027,32.034,42.036,41.017,43]tritetraconta-2,4(19),6,8,10,13(43),14,16,20,23,25(33),27,29,31,34(42),36,38,40-octadecaen-15-amine;24-(2,6-diphenylphenyl)-N,N,12,35-tetraphenyl-18,22,26-trioxa-12,35-diaza-1,5-diboraundecacyclo[21.18.1.15,13.02,21.04,19.06,11.025,33.027,32.034,42.036,41.017,43]tritetraconta-2(21),3,6,8,10,13(43),14,16,19,23,25(33),27,29,31,34(42),36,38,40-octadecaen-15-amine;23-(2,6-diphenylphenyl)-12,38,42-triphenyl-21,25,29-trioxa-12,38,42-triaza-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(50),14(22),15,17,19,23,27,30,32,34,36,39,41(49),43,45,47-henicosaene

C318H199B8N13O10S — CID 165070307

About 24-(2,6-diphenylphenyl)-N,N,12,18,35-pentakis-phenyl-22,26-dioxa-12,18,35-triaza-1,5-diboraundecacyclo[21.18.1.15,13.02,21.04,19.06,11.025,33.027,32.034,42.036,41.017,43]tritetraconta-2(21),3,6,8,10,13(43),14,16,19,23,25(33),27,29,31,34(42),36,38,40-octadecaen-15-amine;24-(2,6-diphenylphenyl)-N,N,12,35-tetraphenyl-22,26-dioxa-18-thia-12,35-diaza-1,5-diboraundecacyclo[21.18.1.15,13.02,21.04,19.06,11.025,33.027,32.034,42.036,41.017,43]tritetraconta-2,4(19),6,8,10,13(43),14,16,20,23,25(33),27,29,31,34(42),36,38,40-octadecaen-15-amine;24-(2,6-diphenylphenyl)-N,N,12,35-tetraphenyl-18,22,26-trioxa-12,35-diaza-1,5-diboraundecacyclo[21.18.1.15,13.02,21.04,19.06,11.025,33.027,32.034,42.036,41.017,43]tritetraconta-2(21),3,6,8,10,13(43),14,16,19,23,25(33),27,29,31,34(42),36,38,40-octadecaen-15-amine;23-(2,6-diphenylphenyl)-12,38,42-triphenyl-21,25,29-trioxa-12,38,42-triaza-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(50),14(22),15,17,19,23,27,30,32,34,36,39,41(49),43,45,47-henicosaene

24-(2,6-diphenylphenyl)-N,N,12,18,35-pentakis-phenyl-22,26-dioxa-12,18,35-triaza-1,5-diboraundecacyclo[21.18.1.15,13.02,21.04,19.06,11.025,33.027,32.034,42.036,41.017,43]tritetraconta-2(21),3,6,8,10,13(43),14,16,19,23,25(33),27,29,31,34(42),36,38,40-octadecaen-15-amine;24-(2,6-diphenylphenyl)-N,N,12,35-tetraphenyl-22,26-dioxa-18-thia-12,35-diaza-1,5-diboraundecacyclo[21.18.1.15,13.02,21.04,19.06,11.025,33.027,32.034,42.036,41.017,43]tritetraconta-2,4(19),6,8,10,13(43),14,16,20,23,25(33),27,29,31,34(42),36,38,40-octadecaen-15-amine;24-(2,6-diphenylphenyl)-N,N,12,35-tetraphenyl-18,22,26-trioxa-12,35-diaza-1,5-diboraundecacyclo[21.18.1.15,13.02,21.04,19.06,11.025,33.027,32.034,42.036,41.017,43]tritetraconta-2(21),3,6,8,10,13(43),14,16,19,23,25(33),27,29,31,34(42),36,38,40-octadecaen-15-amine;23-(2,6-diphenylphenyl)-12,38,42-triphenyl-21,25,29-trioxa-12,38,42-triaza-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(50),14(22),15,17,19,23,27,30,32,34,36,39,41(49),43,45,47-henicosaene (PubChem CID 165070307) has the molecular formula C318H199B8N13O10S and a molecular weight of 4480.73 g/mol. Its IUPAC name is 24-(2,6-diphenylphenyl)-N,N,12,18,35-pentakis-phenyl-22,26-dioxa-12,18,35-triaza-1,5-diboraundecacyclo[21.18.1.15,13.02,21.04,19.06,11.025,33.027,32.034,42.036,41.017,43]tritetraconta-2(21),3,6,8,10,13(43),14,16,19,23,25(33),27,29,31,34(42),36,38,40-octadecaen-15-amine;24-(2,6-diphenylphenyl)-N,N,12,35-tetraphenyl-22,26-dioxa-18-thia-12,35-diaza-1,5-diboraundecacyclo[21.18.1.15,13.02,21.04,19.06,11.025,33.027,32.034,42.036,41.017,43]tritetraconta-2,4(19),6,8,10,13(43),14,16,20,23,25(33),27,29,31,34(42),36,38,40-octadecaen-15-amine;24-(2,6-diphenylphenyl)-N,N,12,35-tetraphenyl-18,22,26-trioxa-12,35-diaza-1,5-diboraundecacyclo[21.18.1.15,13.02,21.04,19.06,11.025,33.027,32.034,42.036,41.017,43]tritetraconta-2(21),3,6,8,10,13(43),14,16,19,23,25(33),27,29,31,34(42),36,38,40-octadecaen-15-amine;23-(2,6-diphenylphenyl)-12,38,42-triphenyl-21,25,29-trioxa-12,38,42-triaza-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(50),14(22),15,17,19,23,27,30,32,34,36,39,41(49),43,45,47-henicosaene.

Molecular Properties

• Compound Name: 24-(2,6-diphenylphenyl)-N,N,12,18,35-pentakis-phenyl-22,26-dioxa-12,18,35-triaza-1,5-diboraundecacyclo[21.18.1.15,13.02,21.04,19.06,11.025,33.027,32.034,42.036,41.017,43]tritetraconta-2(21),3,6,8,10,13(43),14,16,19,23,25(33),27,29,31,34(42),36,38,40-octadecaen-15-amine;24-(2,6-diphenylphenyl)-N,N,12,35-tetraphenyl-22,26-dioxa-18-thia-12,35-diaza-1,5-diboraundecacyclo[21.18.1.15,13.02,21.04,19.06,11.025,33.027,32.034,42.036,41.017,43]tritetraconta-2,4(19),6,8,10,13(43),14,16,20,23,25(33),27,29,31,34(42),36,38,40-octadecaen-15-amine;24-(2,6-diphenylphenyl)-N,N,12,35-tetraphenyl-18,22,26-trioxa-12,35-diaza-1,5-diboraundecacyclo[21.18.1.15,13.02,21.04,19.06,11.025,33.027,32.034,42.036,41.017,43]tritetraconta-2(21),3,6,8,10,13(43),14,16,19,23,25(33),27,29,31,34(42),36,38,40-octadecaen-15-amine;23-(2,6-diphenylphenyl)-12,38,42-triphenyl-21,25,29-trioxa-12,38,42-triaza-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(50),14(22),15,17,19,23,27,30,32,34,36,39,41(49),43,45,47-henicosaene
• PubChem CID: 165070307
• Molecular Formula: C318H199B8N13O10S
• Molecular Weight: 4480.73 g/mol
• Exact Mass: 4478.59
• IUPAC Name: 24-(2,6-diphenylphenyl)-N,N,12,18,35-pentakis-phenyl-22,26-dioxa-12,18,35-triaza-1,5-diboraundecacyclo[21.18.1.15,13.02,21.04,19.06,11.025,33.027,32.034,42.036,41.017,43]tritetraconta-2(21),3,6,8,10,13(43),14,16,19,23,25(33),27,29,31,34(42),36,38,40-octadecaen-15-amine;24-(2,6-diphenylphenyl)-N,N,12,35-tetraphenyl-22,26-dioxa-18-thia-12,35-diaza-1,5-diboraundecacyclo[21.18.1.15,13.02,21.04,19.06,11.025,33.027,32.034,42.036,41.017,43]tritetraconta-2,4(19),6,8,10,13(43),14,16,20,23,25(33),27,29,31,34(42),36,38,40-octadecaen-15-amine;24-(2,6-diphenylphenyl)-N,N,12,35-tetraphenyl-18,22,26-trioxa-12,35-diaza-1,5-diboraundecacyclo[21.18.1.15,13.02,21.04,19.06,11.025,33.027,32.034,42.036,41.017,43]tritetraconta-2(21),3,6,8,10,13(43),14,16,19,23,25(33),27,29,31,34(42),36,38,40-octadecaen-15-amine;23-(2,6-diphenylphenyl)-12,38,42-triphenyl-21,25,29-trioxa-12,38,42-triaza-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(50),14(22),15,17,19,23,27,30,32,34,36,39,41(49),43,45,47-henicosaene
• SMILES: c1ccc(-c2cccc(-c3ccccc3)c2-c2c3c4c(c5c2oc2ccccc25)N(c2ccccc2)c2ccccc2B4c2cc4c(cc2O3)N(c2ccccc2)c2cc(N(c3ccccc3)c3ccccc3)cc3c2B4c2ccccc2N3c2ccccc2)cc1.c1ccc(-c2cccc(-c3ccccc3)c2-c2c3c4c(c5c2oc2ccccc25)N(c2ccccc2)c2ccccc2B4c2cc4c(cc2O3)Oc2c3c(cc5c2c2ccccc2n5-c2ccccc2)N(c2ccccc2)c2ccccc2B43)cc1.c1ccc(-c2cccc(-c3ccccc3)c2-c2c3c4c(c5c2oc2ccccc25)N(c2ccccc2)c2ccccc2B4c2cc4c(cc2O3)Oc2cc(N(c3ccccc3)c3ccccc3)cc3c2B4c2ccccc2N3c2ccccc2)cc1.c1ccc(-c2cccc(-c3ccccc3)c2-c2c3c4c(c5c2oc2ccccc25)N(c2ccccc2)c2ccccc2B4c2cc4c(cc2O3)Sc2cc(N(c3ccccc3)c3ccccc3)cc3c2B4c2ccccc2N3c2ccccc2)cc1
• InChI: InChI=1S/C84H54B2N4O2.C78H47B2N3O3.C78H49B2N3O3.C78H49B2N3O2S/c1-8-29-55(30-9-1)63-44-28-45-64(56-31-10-2-11-32-56)77(63)79-83-78(65-43-22-27-50-75(65)91-83)82-81-84(79)92-76-54-72-68(53-69(76)86(81)67-47-24-26-49-71(67)90(82)61-41-20-7-21-42-61)85-66-46-23-25-48-70(66)88(59-37-16-5-17-38-59)73-51-62(52-74(80(73)85)89(72)60-39-18-6-19-40-60)87(57-33-12-3-13-34-57)58-35-14-4-15-36-58;1-6-25-48(26-7-1)53-37-24-38-54(49-27-8-2-9-28-49)69(53)72-76-71(56-36-17-23-44-66(56)84-76)75-74-78(72)86-68-47-67-59(45-60(68)80(74)58-40-19-22-43-63(58)83(75)52-33-14-5-15-34-52)79-57-39-18-21-42-62(57)82(51-31-12-4-13-32-51)65-46-64-70(77(85-67)73(65)79)55-35-16-20-41-61(55)81(64)50-29-10-3-11-30-50;1-7-26-50(27-8-1)57-39-25-40-58(51-28-9-2-10-29-51)71(57)73-77-72(59-38-19-24-45-67(59)85-77)76-75-78(73)86-69-49-68-62(48-63(69)80(75)61-42-21-23-44-65(61)83(76)55-36-17-6-18-37-55)79-60-41-20-22-43-64(60)82(54-34-15-5-16-35-54)66-46-56(47-70(84-68)74(66)79)81(52-30-11-3-12-31-52)53-32-13-4-14-33-53;1-7-26-50(27-8-1)57-39-25-40-58(51-28-9-2-10-29-51)71(57)73-77-72(59-38-19-24-45-67(59)84-77)76-75-78(73)85-68-49-69-63(48-62(68)79(75)61-42-21-23-44-65(61)83(76)55-36-17-6-18-37-55)80-60-41-20-22-43-64(60)82(54-34-15-5-16-35-54)66-46-56(47-70(86-69)74(66)80)81(52-30-11-3-12-31-52)53-32-13-4-14-33-53/h1-54H;1-47H;2*1-49H
• InChIKey: SQOBCRYSEXXSKM-UHFFFAOYSA-N
• XLogP: 69.13
• TPSA: 151.75 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 31
• Heavy Atoms: 350
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4480.73
LogP ≤ 5	69.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 24-(2,6-diphenylphenyl)-N,N,12,18,35-pentakis-phenyl-22,26-dioxa-12,18,35-triaza-1,5-diboraundecacyclo[21.18.1.15,13.02,21.04,19.06,11.025,33.027,32.034,42.036,41.017,43]tritetraconta-2(21),3,6,8,10,13(43),14,16,19,23,25(33),27,29,31,34(42),36,38,40-octadecaen-15-amine;24-(2,6-diphenylphenyl)-N,N,12,35-tetraphenyl-22,26-dioxa-18-thia-12,35-diaza-1,5-diboraundecacyclo[21.18.1.15,13.02,21.04,19.06,11.025,33.027,32.034,42.036,41.017,43]tritetraconta-2,4(19),6,8,10,13(43),14,16,20,23,25(33),27,29,31,34(42),36,38,40-octadecaen-15-amine;24-(2,6-diphenylphenyl)-N,N,12,35-tetraphenyl-18,22,26-trioxa-12,35-diaza-1,5-diboraundecacyclo[21.18.1.15,13.02,21.04,19.06,11.025,33.027,32.034,42.036,41.017,43]tritetraconta-2(21),3,6,8,10,13(43),14,16,19,23,25(33),27,29,31,34(42),36,38,40-octadecaen-15-amine;23-(2,6-diphenylphenyl)-12,38,42-triphenyl-21,25,29-trioxa-12,38,42-triaza-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(50),14(22),15,17,19,23,27,30,32,34,36,39,41(49),43,45,47-henicosaene?

The IUPAC name of 24-(2,6-diphenylphenyl)-N,N,12,18,35-pentakis-phenyl-22,26-dioxa-12,18,35-triaza-1,5-diboraundecacyclo[21.18.1.15,13.02,21.04,19.06,11.025,33.027,32.034,42.036,41.017,43]tritetraconta-2(21),3,6,8,10,13(43),14,16,19,23,25(33),27,29,31,34(42),36,38,40-octadecaen-15-amine;24-(2,6-diphenylphenyl)-N,N,12,35-tetraphenyl-22,26-dioxa-18-thia-12,35-diaza-1,5-diboraundecacyclo[21.18.1.15,13.02,21.04,19.06,11.025,33.027,32.034,42.036,41.017,43]tritetraconta-2,4(19),6,8,10,13(43),14,16,20,23,25(33),27,29,31,34(42),36,38,40-octadecaen-15-amine;24-(2,6-diphenylphenyl)-N,N,12,35-tetraphenyl-18,22,26-trioxa-12,35-diaza-1,5-diboraundecacyclo[21.18.1.15,13.02,21.04,19.06,11.025,33.027,32.034,42.036,41.017,43]tritetraconta-2(21),3,6,8,10,13(43),14,16,19,23,25(33),27,29,31,34(42),36,38,40-octadecaen-15-amine;23-(2,6-diphenylphenyl)-12,38,42-triphenyl-21,25,29-trioxa-12,38,42-triaza-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(50),14(22),15,17,19,23,27,30,32,34,36,39,41(49),43,45,47-henicosaene (CID 165070307) is 24-(2,6-diphenylphenyl)-N,N,12,18,35-pentakis-phenyl-22,26-dioxa-12,18,35-triaza-1,5-diboraundecacyclo[21.18.1.15,13.02,21.04,19.06,11.025,33.027,32.034,42.036,41.017,43]tritetraconta-2(21),3,6,8,10,13(43),14,16,19,23,25(33),27,29,31,34(42),36,38,40-octadecaen-15-amine;24-(2,6-diphenylphenyl)-N,N,12,35-tetraphenyl-22,26-dioxa-18-thia-12,35-diaza-1,5-diboraundecacyclo[21.18.1.15,13.02,21.04,19.06,11.025,33.027,32.034,42.036,41.017,43]tritetraconta-2,4(19),6,8,10,13(43),14,16,20,23,25(33),27,29,31,34(42),36,38,40-octadecaen-15-amine;24-(2,6-diphenylphenyl)-N,N,12,35-tetraphenyl-18,22,26-trioxa-12,35-diaza-1,5-diboraundecacyclo[21.18.1.15,13.02,21.04,19.06,11.025,33.027,32.034,42.036,41.017,43]tritetraconta-2(21),3,6,8,10,13(43),14,16,19,23,25(33),27,29,31,34(42),36,38,40-octadecaen-15-amine;23-(2,6-diphenylphenyl)-12,38,42-triphenyl-21,25,29-trioxa-12,38,42-triaza-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(50),14(22),15,17,19,23,27,30,32,34,36,39,41(49),43,45,47-henicosaene.

What is the SMILES notation for 24-(2,6-diphenylphenyl)-N,N,12,18,35-pentakis-phenyl-22,26-dioxa-12,18,35-triaza-1,5-diboraundecacyclo[21.18.1.15,13.02,21.04,19.06,11.025,33.027,32.034,42.036,41.017,43]tritetraconta-2(21),3,6,8,10,13(43),14,16,19,23,25(33),27,29,31,34(42),36,38,40-octadecaen-15-amine;24-(2,6-diphenylphenyl)-N,N,12,35-tetraphenyl-22,26-dioxa-18-thia-12,35-diaza-1,5-diboraundecacyclo[21.18.1.15,13.02,21.04,19.06,11.025,33.027,32.034,42.036,41.017,43]tritetraconta-2,4(19),6,8,10,13(43),14,16,20,23,25(33),27,29,31,34(42),36,38,40-octadecaen-15-amine;24-(2,6-diphenylphenyl)-N,N,12,35-tetraphenyl-18,22,26-trioxa-12,35-diaza-1,5-diboraundecacyclo[21.18.1.15,13.02,21.04,19.06,11.025,33.027,32.034,42.036,41.017,43]tritetraconta-2(21),3,6,8,10,13(43),14,16,19,23,25(33),27,29,31,34(42),36,38,40-octadecaen-15-amine;23-(2,6-diphenylphenyl)-12,38,42-triphenyl-21,25,29-trioxa-12,38,42-triaza-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(50),14(22),15,17,19,23,27,30,32,34,36,39,41(49),43,45,47-henicosaene?

The canonical SMILES for 24-(2,6-diphenylphenyl)-N,N,12,18,35-pentakis-phenyl-22,26-dioxa-12,18,35-triaza-1,5-diboraundecacyclo[21.18.1.15,13.02,21.04,19.06,11.025,33.027,32.034,42.036,41.017,43]tritetraconta-2(21),3,6,8,10,13(43),14,16,19,23,25(33),27,29,31,34(42),36,38,40-octadecaen-15-amine;24-(2,6-diphenylphenyl)-N,N,12,35-tetraphenyl-22,26-dioxa-18-thia-12,35-diaza-1,5-diboraundecacyclo[21.18.1.15,13.02,21.04,19.06,11.025,33.027,32.034,42.036,41.017,43]tritetraconta-2,4(19),6,8,10,13(43),14,16,20,23,25(33),27,29,31,34(42),36,38,40-octadecaen-15-amine;24-(2,6-diphenylphenyl)-N,N,12,35-tetraphenyl-18,22,26-trioxa-12,35-diaza-1,5-diboraundecacyclo[21.18.1.15,13.02,21.04,19.06,11.025,33.027,32.034,42.036,41.017,43]tritetraconta-2(21),3,6,8,10,13(43),14,16,19,23,25(33),27,29,31,34(42),36,38,40-octadecaen-15-amine;23-(2,6-diphenylphenyl)-12,38,42-triphenyl-21,25,29-trioxa-12,38,42-triaza-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(50),14(22),15,17,19,23,27,30,32,34,36,39,41(49),43,45,47-henicosaene is c1ccc(-c2cccc(-c3ccccc3)c2-c2c3c4c(c5c2oc2ccccc25)N(c2ccccc2)c2ccccc2B4c2cc4c(cc2O3)N(c2ccccc2)c2cc(N(c3ccccc3)c3ccccc3)cc3c2B4c2ccccc2N3c2ccccc2)cc1.c1ccc(-c2cccc(-c3ccccc3)c2-c2c3c4c(c5c2oc2ccccc25)N(c2ccccc2)c2ccccc2B4c2cc4c(cc2O3)Oc2c3c(cc5c2c2ccccc2n5-c2ccccc2)N(c2ccccc2)c2ccccc2B43)cc1.c1ccc(-c2cccc(-c3ccccc3)c2-c2c3c4c(c5c2oc2ccccc25)N(c2ccccc2)c2ccccc2B4c2cc4c(cc2O3)Oc2cc(N(c3ccccc3)c3ccccc3)cc3c2B4c2ccccc2N3c2ccccc2)cc1.c1ccc(-c2cccc(-c3ccccc3)c2-c2c3c4c(c5c2oc2ccccc25)N(c2ccccc2)c2ccccc2B4c2cc4c(cc2O3)Sc2cc(N(c3ccccc3)c3ccccc3)cc3c2B4c2ccccc2N3c2ccccc2)cc1.

What is the InChIKey of 24-(2,6-diphenylphenyl)-N,N,12,18,35-pentakis-phenyl-22,26-dioxa-12,18,35-triaza-1,5-diboraundecacyclo[21.18.1.15,13.02,21.04,19.06,11.025,33.027,32.034,42.036,41.017,43]tritetraconta-2(21),3,6,8,10,13(43),14,16,19,23,25(33),27,29,31,34(42),36,38,40-octadecaen-15-amine;24-(2,6-diphenylphenyl)-N,N,12,35-tetraphenyl-22,26-dioxa-18-thia-12,35-diaza-1,5-diboraundecacyclo[21.18.1.15,13.02,21.04,19.06,11.025,33.027,32.034,42.036,41.017,43]tritetraconta-2,4(19),6,8,10,13(43),14,16,20,23,25(33),27,29,31,34(42),36,38,40-octadecaen-15-amine;24-(2,6-diphenylphenyl)-N,N,12,35-tetraphenyl-18,22,26-trioxa-12,35-diaza-1,5-diboraundecacyclo[21.18.1.15,13.02,21.04,19.06,11.025,33.027,32.034,42.036,41.017,43]tritetraconta-2(21),3,6,8,10,13(43),14,16,19,23,25(33),27,29,31,34(42),36,38,40-octadecaen-15-amine;23-(2,6-diphenylphenyl)-12,38,42-triphenyl-21,25,29-trioxa-12,38,42-triaza-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(50),14(22),15,17,19,23,27,30,32,34,36,39,41(49),43,45,47-henicosaene?

The InChIKey is SQOBCRYSEXXSKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H54B2N4O2.C78H47B2N3O3.C78H49B2N3O3.C78H49B2N3O2S/c1-8-29-55(30-9-1)63-44-28-45-64(56-31-10-2-11-32-56)77(63)79-83-78(65-43-22-27-50-75(65)91-83)82-81-84(79)92-76-54-72-68(53-69(76)86(81)67-47-24-26-49-71(67)90(82)61-41-20-7-21-42-61)85-66-46-23-25-48-70(66)88(59-37-16-5-17-38-59)73-51-62(52-74(80(73)85)89(72)60-39-18-6-19-40-60)87(57-33-12-3-13-34-57)58-35-14-4-15-36-58;1-6-25-48(26-7-1)53-37-24-38-54(49-27-8-2-9-28-49)69(53)72-76-71(56-36-17-23-44-66(56)84-76)75-74-78(72)86-68-47-67-59(45-60(68)80(74)58-40-19-22-43-63(58)83(75)52-33-14-5-15-34-52)79-57-39-18-21-42-62(57)82(51-31-12-4-13-32-51)65-46-64-70(77(85-67)73(65)79)55-35-16-20-41-61(55)81(64)50-29-10-3-11-30-50;1-7-26-50(27-8-1)57-39-25-40-58(51-28-9-2-10-29-51)71(57)73-77-72(59-38-19-24-45-67(59)85-77)76-75-78(73)86-69-49-68-62(48-63(69)80(75)61-42-21-23-44-65(61)83(76)55-36-17-6-18-37-55)79-60-41-20-22-43-64(60)82(54-34-15-5-16-35-54)66-46-56(47-70(84-68)74(66)79)81(52-30-11-3-12-31-52)53-32-13-4-14-33-53;1-7-26-50(27-8-1)57-39-25-40-58(51-28-9-2-10-29-51)71(57)73-77-72(59-38-19-24-45-67(59)84-77)76-75-78(73)85-68-49-69-63(48-62(68)79(75)61-42-21-23-44-65(61)83(76)55-36-17-6-18-37-55)80-60-41-20-22-43-64(60)82(54-34-15-5-16-35-54)66-46-56(47-70(86-69)74(66)80)81(52-30-11-3-12-31-52)53-32-13-4-14-33-53/h1-54H;1-47H;2*1-49H.

What are the key properties of 24-(2,6-diphenylphenyl)-N,N,12,18,35-pentakis-phenyl-22,26-dioxa-12,18,35-triaza-1,5-diboraundecacyclo[21.18.1.15,13.02,21.04,19.06,11.025,33.027,32.034,42.036,41.017,43]tritetraconta-2(21),3,6,8,10,13(43),14,16,19,23,25(33),27,29,31,34(42),36,38,40-octadecaen-15-amine;24-(2,6-diphenylphenyl)-N,N,12,35-tetraphenyl-22,26-dioxa-18-thia-12,35-diaza-1,5-diboraundecacyclo[21.18.1.15,13.02,21.04,19.06,11.025,33.027,32.034,42.036,41.017,43]tritetraconta-2,4(19),6,8,10,13(43),14,16,20,23,25(33),27,29,31,34(42),36,38,40-octadecaen-15-amine;24-(2,6-diphenylphenyl)-N,N,12,35-tetraphenyl-18,22,26-trioxa-12,35-diaza-1,5-diboraundecacyclo[21.18.1.15,13.02,21.04,19.06,11.025,33.027,32.034,42.036,41.017,43]tritetraconta-2(21),3,6,8,10,13(43),14,16,19,23,25(33),27,29,31,34(42),36,38,40-octadecaen-15-amine;23-(2,6-diphenylphenyl)-12,38,42-triphenyl-21,25,29-trioxa-12,38,42-triaza-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(50),14(22),15,17,19,23,27,30,32,34,36,39,41(49),43,45,47-henicosaene?

24-(2,6-diphenylphenyl)-N,N,12,18,35-pentakis-phenyl-22,26-dioxa-12,18,35-triaza-1,5-diboraundecacyclo[21.18.1.15,13.02,21.04,19.06,11.025,33.027,32.034,42.036,41.017,43]tritetraconta-2(21),3,6,8,10,13(43),14,16,19,23,25(33),27,29,31,34(42),36,38,40-octadecaen-15-amine;24-(2,6-diphenylphenyl)-N,N,12,35-tetraphenyl-22,26-dioxa-18-thia-12,35-diaza-1,5-diboraundecacyclo[21.18.1.15,13.02,21.04,19.06,11.025,33.027,32.034,42.036,41.017,43]tritetraconta-2,4(19),6,8,10,13(43),14,16,20,23,25(33),27,29,31,34(42),36,38,40-octadecaen-15-amine;24-(2,6-diphenylphenyl)-N,N,12,35-tetraphenyl-18,22,26-trioxa-12,35-diaza-1,5-diboraundecacyclo[21.18.1.15,13.02,21.04,19.06,11.025,33.027,32.034,42.036,41.017,43]tritetraconta-2(21),3,6,8,10,13(43),14,16,19,23,25(33),27,29,31,34(42),36,38,40-octadecaen-15-amine;23-(2,6-diphenylphenyl)-12,38,42-triphenyl-21,25,29-trioxa-12,38,42-triaza-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(50),14(22),15,17,19,23,27,30,32,34,36,39,41(49),43,45,47-henicosaene has a molecular weight of 4480.73 g/mol, XLogP of 69.13, 31 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 24-(2,6-diphenylphenyl)-N,N,12,18,35-pentakis-phenyl-22,26-dioxa-12,18,35-triaza-1,5-diboraundecacyclo[21.18.1.15,13.02,21.04,19.06,11.025,33.027,32.034,42.036,41.017,43]tritetraconta-2(21),3,6,8,10,13(43),14,16,19,23,25(33),27,29,31,34(42),36,38,40-octadecaen-15-amine;24-(2,6-diphenylphenyl)-N,N,12,35-tetraphenyl-22,26-dioxa-18-thia-12,35-diaza-1,5-diboraundecacyclo[21.18.1.15,13.02,21.04,19.06,11.025,33.027,32.034,42.036,41.017,43]tritetraconta-2,4(19),6,8,10,13(43),14,16,20,23,25(33),27,29,31,34(42),36,38,40-octadecaen-15-amine;24-(2,6-diphenylphenyl)-N,N,12,35-tetraphenyl-18,22,26-trioxa-12,35-diaza-1,5-diboraundecacyclo[21.18.1.15,13.02,21.04,19.06,11.025,33.027,32.034,42.036,41.017,43]tritetraconta-2(21),3,6,8,10,13(43),14,16,19,23,25(33),27,29,31,34(42),36,38,40-octadecaen-15-amine;23-(2,6-diphenylphenyl)-12,38,42-triphenyl-21,25,29-trioxa-12,38,42-triaza-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(50),14(22),15,17,19,23,27,30,32,34,36,39,41(49),43,45,47-henicosaene is sourced from PubChem (CID 165070307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).