18,36-diphenoxy-25,29-diphenyl-15,39-dioxa-12,42-dithia-25,29-diaza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.016,21.032,40.033,38.041,49.043,48.024,50]pentaconta-2(28),3,6,8,10,13,16(21),17,19,22,24(50),26,30(49),31,33(38),34,36,40,43,45,47-henicosaene;17,31-diphenoxy-22,26-diphenyl-12,36-dithia-22,26-diaza-1,5-diboraundecacyclo[25.15.1.15,13.02,25.04,23.06,11.014,19.029,34.035,43.037,42.021,44]tetratetraconta-2(25),3,6,8,10,13,15,17,19,21(44),23,27(43),28,30,32,34,37,39,41-nonadecaene;17,31-diphenoxy-22,26-diphenyl-12,36-dithia-22,26-diaza-1,5-diboraundecacyclo[25.15.1.15,13.02,25.04,23.06,11.015,20.028,33.035,43.037,42.021,44]tetratetraconta-2(25),3,6,8,10,13(44),14,16,18,20,23,27,29,31,33,35(43),37,39,41-nonadecaene;15,15,39,39-tetramethyl-18,36-diphenoxy-25,29-diphenyl-12,42-dithia-25,29-diaza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.016,21.032,40.033,38.041,49.043,48.024,50]pentaconta-2(28),3,6,8,10,13,16(21),17,19,22,24(50),26,30(49),31,33(38),34,36,40,43,45,47-henicosaene

C262H164B8N8O10S8 — CID 160706631

About 18,36-diphenoxy-25,29-diphenyl-15,39-dioxa-12,42-dithia-25,29-diaza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.016,21.032,40.033,38.041,49.043,48.024,50]pentaconta-2(28),3,6,8,10,13,16(21),17,19,22,24(50),26,30(49),31,33(38),34,36,40,43,45,47-henicosaene;17,31-diphenoxy-22,26-diphenyl-12,36-dithia-22,26-diaza-1,5-diboraundecacyclo[25.15.1.15,13.02,25.04,23.06,11.014,19.029,34.035,43.037,42.021,44]tetratetraconta-2(25),3,6,8,10,13,15,17,19,21(44),23,27(43),28,30,32,34,37,39,41-nonadecaene;17,31-diphenoxy-22,26-diphenyl-12,36-dithia-22,26-diaza-1,5-diboraundecacyclo[25.15.1.15,13.02,25.04,23.06,11.015,20.028,33.035,43.037,42.021,44]tetratetraconta-2(25),3,6,8,10,13(44),14,16,18,20,23,27,29,31,33,35(43),37,39,41-nonadecaene;15,15,39,39-tetramethyl-18,36-diphenoxy-25,29-diphenyl-12,42-dithia-25,29-diaza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.016,21.032,40.033,38.041,49.043,48.024,50]pentaconta-2(28),3,6,8,10,13,16(21),17,19,22,24(50),26,30(49),31,33(38),34,36,40,43,45,47-henicosaene

18,36-diphenoxy-25,29-diphenyl-15,39-dioxa-12,42-dithia-25,29-diaza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.016,21.032,40.033,38.041,49.043,48.024,50]pentaconta-2(28),3,6,8,10,13,16(21),17,19,22,24(50),26,30(49),31,33(38),34,36,40,43,45,47-henicosaene;17,31-diphenoxy-22,26-diphenyl-12,36-dithia-22,26-diaza-1,5-diboraundecacyclo[25.15.1.15,13.02,25.04,23.06,11.014,19.029,34.035,43.037,42.021,44]tetratetraconta-2(25),3,6,8,10,13,15,17,19,21(44),23,27(43),28,30,32,34,37,39,41-nonadecaene;17,31-diphenoxy-22,26-diphenyl-12,36-dithia-22,26-diaza-1,5-diboraundecacyclo[25.15.1.15,13.02,25.04,23.06,11.015,20.028,33.035,43.037,42.021,44]tetratetraconta-2(25),3,6,8,10,13(44),14,16,18,20,23,27,29,31,33,35(43),37,39,41-nonadecaene;15,15,39,39-tetramethyl-18,36-diphenoxy-25,29-diphenyl-12,42-dithia-25,29-diaza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.016,21.032,40.033,38.041,49.043,48.024,50]pentaconta-2(28),3,6,8,10,13,16(21),17,19,22,24(50),26,30(49),31,33(38),34,36,40,43,45,47-henicosaene (PubChem CID 160706631) has the molecular formula C262H164B8N8O10S8 and a molecular weight of 3927.27 g/mol. Its IUPAC name is 18,36-diphenoxy-25,29-diphenyl-15,39-dioxa-12,42-dithia-25,29-diaza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.016,21.032,40.033,38.041,49.043,48.024,50]pentaconta-2(28),3,6,8,10,13,16(21),17,19,22,24(50),26,30(49),31,33(38),34,36,40,43,45,47-henicosaene;17,31-diphenoxy-22,26-diphenyl-12,36-dithia-22,26-diaza-1,5-diboraundecacyclo[25.15.1.15,13.02,25.04,23.06,11.014,19.029,34.035,43.037,42.021,44]tetratetraconta-2(25),3,6,8,10,13,15,17,19,21(44),23,27(43),28,30,32,34,37,39,41-nonadecaene;17,31-diphenoxy-22,26-diphenyl-12,36-dithia-22,26-diaza-1,5-diboraundecacyclo[25.15.1.15,13.02,25.04,23.06,11.015,20.028,33.035,43.037,42.021,44]tetratetraconta-2(25),3,6,8,10,13(44),14,16,18,20,23,27,29,31,33,35(43),37,39,41-nonadecaene;15,15,39,39-tetramethyl-18,36-diphenoxy-25,29-diphenyl-12,42-dithia-25,29-diaza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.016,21.032,40.033,38.041,49.043,48.024,50]pentaconta-2(28),3,6,8,10,13,16(21),17,19,22,24(50),26,30(49),31,33(38),34,36,40,43,45,47-henicosaene.

Molecular Properties

• Compound Name: 18,36-diphenoxy-25,29-diphenyl-15,39-dioxa-12,42-dithia-25,29-diaza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.016,21.032,40.033,38.041,49.043,48.024,50]pentaconta-2(28),3,6,8,10,13,16(21),17,19,22,24(50),26,30(49),31,33(38),34,36,40,43,45,47-henicosaene;17,31-diphenoxy-22,26-diphenyl-12,36-dithia-22,26-diaza-1,5-diboraundecacyclo[25.15.1.15,13.02,25.04,23.06,11.014,19.029,34.035,43.037,42.021,44]tetratetraconta-2(25),3,6,8,10,13,15,17,19,21(44),23,27(43),28,30,32,34,37,39,41-nonadecaene;17,31-diphenoxy-22,26-diphenyl-12,36-dithia-22,26-diaza-1,5-diboraundecacyclo[25.15.1.15,13.02,25.04,23.06,11.015,20.028,33.035,43.037,42.021,44]tetratetraconta-2(25),3,6,8,10,13(44),14,16,18,20,23,27,29,31,33,35(43),37,39,41-nonadecaene;15,15,39,39-tetramethyl-18,36-diphenoxy-25,29-diphenyl-12,42-dithia-25,29-diaza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.016,21.032,40.033,38.041,49.043,48.024,50]pentaconta-2(28),3,6,8,10,13,16(21),17,19,22,24(50),26,30(49),31,33(38),34,36,40,43,45,47-henicosaene
• PubChem CID: 160706631
• Molecular Formula: C262H164B8N8O10S8
• Molecular Weight: 3927.27 g/mol
• Exact Mass: 3925.11
• IUPAC Name: 18,36-diphenoxy-25,29-diphenyl-15,39-dioxa-12,42-dithia-25,29-diaza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.016,21.032,40.033,38.041,49.043,48.024,50]pentaconta-2(28),3,6,8,10,13,16(21),17,19,22,24(50),26,30(49),31,33(38),34,36,40,43,45,47-henicosaene;17,31-diphenoxy-22,26-diphenyl-12,36-dithia-22,26-diaza-1,5-diboraundecacyclo[25.15.1.15,13.02,25.04,23.06,11.014,19.029,34.035,43.037,42.021,44]tetratetraconta-2(25),3,6,8,10,13,15,17,19,21(44),23,27(43),28,30,32,34,37,39,41-nonadecaene;17,31-diphenoxy-22,26-diphenyl-12,36-dithia-22,26-diaza-1,5-diboraundecacyclo[25.15.1.15,13.02,25.04,23.06,11.015,20.028,33.035,43.037,42.021,44]tetratetraconta-2(25),3,6,8,10,13(44),14,16,18,20,23,27,29,31,33,35(43),37,39,41-nonadecaene;15,15,39,39-tetramethyl-18,36-diphenoxy-25,29-diphenyl-12,42-dithia-25,29-diaza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.016,21.032,40.033,38.041,49.043,48.024,50]pentaconta-2(28),3,6,8,10,13,16(21),17,19,22,24(50),26,30(49),31,33(38),34,36,40,43,45,47-henicosaene
• SMILES: CC1(C)c2cc(Oc3ccccc3)ccc2-c2cc3c4c(c21)Sc1ccccc1B4c1cc2c(cc1N3c1ccccc1)N(c1ccccc1)c1cc3c(c4c1B2c1ccccc1S4)C(C)(C)c1cc(Oc2ccccc2)ccc1-3.c1ccc(Oc2ccc3c(c2)oc2c4c5c(cc23)N(c2ccccc2)c2cc3c(cc2B5c2ccccc2S4)B2c4ccccc4Sc4c2c(cc2c4oc4cc(Oc5ccccc5)ccc42)N3c2ccccc2)cc1.c1ccc(Oc2ccc3c4c5c(cc3c2)N(c2ccccc2)c2cc3c(cc2B5c2ccccc2S4)B2c4ccccc4Sc4c2c(cc2cc(Oc5ccccc5)ccc42)N3c2ccccc2)cc1.c1ccc(Oc2ccc3c4c5c(cc3c2)Sc2ccccc2B5c2cc3c(cc2N4c2ccccc2)N(c2ccccc2)c2c4c(cc5cc(Oc6ccccc6)ccc25)Sc2ccccc2B34)cc1
• InChI: InChI=1S/C72H50B2N2O2S2.C66H38B2N2O4S2.2C62H38B2N2O2S2/c1-71(2)53-37-47(77-45-25-13-7-14-26-45)33-35-49(53)51-39-61-67-69(65(51)71)79-63-31-19-17-29-55(63)73(67)57-41-58-60(42-59(57)75(61)43-21-9-5-10-22-43)76(44-23-11-6-12-24-44)62-40-52-50-36-34-48(78-46-27-15-8-16-28-46)38-54(50)72(3,4)66(52)70-68(62)74(58)56-30-18-20-32-64(56)80-70;1-5-17-39(18-6-1)69-53-38-54-52(37-51(53)67-49-25-13-15-27-59(49)75-65-61(67)55(69)35-47-45-31-29-43(33-57(45)73-63(47)65)71-41-21-9-3-10-22-41)68-50-26-14-16-28-60(50)76-66-62(68)56(70(54)40-19-7-2-8-20-40)36-48-46-32-30-44(34-58(46)74-64(48)66)72-42-23-11-4-12-24-42;1-5-17-41(18-6-1)65-53-38-54-52(37-51(53)63-49-25-13-15-27-57(49)69-61-47-31-29-45(67-43-21-9-3-10-22-43)33-39(47)35-55(65)59(61)63)64-50-26-14-16-28-58(50)70-62-48-32-30-46(68-44-23-11-4-12-24-44)34-40(48)36-56(60(62)64)66(54)42-19-7-2-8-20-42;1-5-17-41(18-6-1)65-53-38-54-52(37-51(53)63-49-25-13-15-27-55(49)69-57-35-39-33-45(67-43-21-9-3-10-22-43)29-31-47(39)61(65)59(57)63)64-50-26-14-16-28-56(50)70-58-36-40-34-46(68-44-23-11-4-12-24-44)30-32-48(40)62(60(58)64)66(54)42-19-7-2-8-20-42/h5-42H,1-4H3;1-38H;2*1-38H
• InChIKey: RRHUAIWVBKWKQI-UHFFFAOYSA-N
• XLogP: 56.22
• TPSA: 126.04 Ų
• H-Bond Acceptors: 26
• Rotatable Bonds: 24
• Heavy Atoms: 296
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3927.27
LogP ≤ 5	56.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 18,36-diphenoxy-25,29-diphenyl-15,39-dioxa-12,42-dithia-25,29-diaza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.016,21.032,40.033,38.041,49.043,48.024,50]pentaconta-2(28),3,6,8,10,13,16(21),17,19,22,24(50),26,30(49),31,33(38),34,36,40,43,45,47-henicosaene;17,31-diphenoxy-22,26-diphenyl-12,36-dithia-22,26-diaza-1,5-diboraundecacyclo[25.15.1.15,13.02,25.04,23.06,11.014,19.029,34.035,43.037,42.021,44]tetratetraconta-2(25),3,6,8,10,13,15,17,19,21(44),23,27(43),28,30,32,34,37,39,41-nonadecaene;17,31-diphenoxy-22,26-diphenyl-12,36-dithia-22,26-diaza-1,5-diboraundecacyclo[25.15.1.15,13.02,25.04,23.06,11.015,20.028,33.035,43.037,42.021,44]tetratetraconta-2(25),3,6,8,10,13(44),14,16,18,20,23,27,29,31,33,35(43),37,39,41-nonadecaene;15,15,39,39-tetramethyl-18,36-diphenoxy-25,29-diphenyl-12,42-dithia-25,29-diaza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.016,21.032,40.033,38.041,49.043,48.024,50]pentaconta-2(28),3,6,8,10,13,16(21),17,19,22,24(50),26,30(49),31,33(38),34,36,40,43,45,47-henicosaene?

The IUPAC name of 18,36-diphenoxy-25,29-diphenyl-15,39-dioxa-12,42-dithia-25,29-diaza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.016,21.032,40.033,38.041,49.043,48.024,50]pentaconta-2(28),3,6,8,10,13,16(21),17,19,22,24(50),26,30(49),31,33(38),34,36,40,43,45,47-henicosaene;17,31-diphenoxy-22,26-diphenyl-12,36-dithia-22,26-diaza-1,5-diboraundecacyclo[25.15.1.15,13.02,25.04,23.06,11.014,19.029,34.035,43.037,42.021,44]tetratetraconta-2(25),3,6,8,10,13,15,17,19,21(44),23,27(43),28,30,32,34,37,39,41-nonadecaene;17,31-diphenoxy-22,26-diphenyl-12,36-dithia-22,26-diaza-1,5-diboraundecacyclo[25.15.1.15,13.02,25.04,23.06,11.015,20.028,33.035,43.037,42.021,44]tetratetraconta-2(25),3,6,8,10,13(44),14,16,18,20,23,27,29,31,33,35(43),37,39,41-nonadecaene;15,15,39,39-tetramethyl-18,36-diphenoxy-25,29-diphenyl-12,42-dithia-25,29-diaza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.016,21.032,40.033,38.041,49.043,48.024,50]pentaconta-2(28),3,6,8,10,13,16(21),17,19,22,24(50),26,30(49),31,33(38),34,36,40,43,45,47-henicosaene (CID 160706631) is 18,36-diphenoxy-25,29-diphenyl-15,39-dioxa-12,42-dithia-25,29-diaza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.016,21.032,40.033,38.041,49.043,48.024,50]pentaconta-2(28),3,6,8,10,13,16(21),17,19,22,24(50),26,30(49),31,33(38),34,36,40,43,45,47-henicosaene;17,31-diphenoxy-22,26-diphenyl-12,36-dithia-22,26-diaza-1,5-diboraundecacyclo[25.15.1.15,13.02,25.04,23.06,11.014,19.029,34.035,43.037,42.021,44]tetratetraconta-2(25),3,6,8,10,13,15,17,19,21(44),23,27(43),28,30,32,34,37,39,41-nonadecaene;17,31-diphenoxy-22,26-diphenyl-12,36-dithia-22,26-diaza-1,5-diboraundecacyclo[25.15.1.15,13.02,25.04,23.06,11.015,20.028,33.035,43.037,42.021,44]tetratetraconta-2(25),3,6,8,10,13(44),14,16,18,20,23,27,29,31,33,35(43),37,39,41-nonadecaene;15,15,39,39-tetramethyl-18,36-diphenoxy-25,29-diphenyl-12,42-dithia-25,29-diaza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.016,21.032,40.033,38.041,49.043,48.024,50]pentaconta-2(28),3,6,8,10,13,16(21),17,19,22,24(50),26,30(49),31,33(38),34,36,40,43,45,47-henicosaene.

What is the SMILES notation for 18,36-diphenoxy-25,29-diphenyl-15,39-dioxa-12,42-dithia-25,29-diaza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.016,21.032,40.033,38.041,49.043,48.024,50]pentaconta-2(28),3,6,8,10,13,16(21),17,19,22,24(50),26,30(49),31,33(38),34,36,40,43,45,47-henicosaene;17,31-diphenoxy-22,26-diphenyl-12,36-dithia-22,26-diaza-1,5-diboraundecacyclo[25.15.1.15,13.02,25.04,23.06,11.014,19.029,34.035,43.037,42.021,44]tetratetraconta-2(25),3,6,8,10,13,15,17,19,21(44),23,27(43),28,30,32,34,37,39,41-nonadecaene;17,31-diphenoxy-22,26-diphenyl-12,36-dithia-22,26-diaza-1,5-diboraundecacyclo[25.15.1.15,13.02,25.04,23.06,11.015,20.028,33.035,43.037,42.021,44]tetratetraconta-2(25),3,6,8,10,13(44),14,16,18,20,23,27,29,31,33,35(43),37,39,41-nonadecaene;15,15,39,39-tetramethyl-18,36-diphenoxy-25,29-diphenyl-12,42-dithia-25,29-diaza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.016,21.032,40.033,38.041,49.043,48.024,50]pentaconta-2(28),3,6,8,10,13,16(21),17,19,22,24(50),26,30(49),31,33(38),34,36,40,43,45,47-henicosaene?

The canonical SMILES for 18,36-diphenoxy-25,29-diphenyl-15,39-dioxa-12,42-dithia-25,29-diaza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.016,21.032,40.033,38.041,49.043,48.024,50]pentaconta-2(28),3,6,8,10,13,16(21),17,19,22,24(50),26,30(49),31,33(38),34,36,40,43,45,47-henicosaene;17,31-diphenoxy-22,26-diphenyl-12,36-dithia-22,26-diaza-1,5-diboraundecacyclo[25.15.1.15,13.02,25.04,23.06,11.014,19.029,34.035,43.037,42.021,44]tetratetraconta-2(25),3,6,8,10,13,15,17,19,21(44),23,27(43),28,30,32,34,37,39,41-nonadecaene;17,31-diphenoxy-22,26-diphenyl-12,36-dithia-22,26-diaza-1,5-diboraundecacyclo[25.15.1.15,13.02,25.04,23.06,11.015,20.028,33.035,43.037,42.021,44]tetratetraconta-2(25),3,6,8,10,13(44),14,16,18,20,23,27,29,31,33,35(43),37,39,41-nonadecaene;15,15,39,39-tetramethyl-18,36-diphenoxy-25,29-diphenyl-12,42-dithia-25,29-diaza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.016,21.032,40.033,38.041,49.043,48.024,50]pentaconta-2(28),3,6,8,10,13,16(21),17,19,22,24(50),26,30(49),31,33(38),34,36,40,43,45,47-henicosaene is CC1(C)c2cc(Oc3ccccc3)ccc2-c2cc3c4c(c21)Sc1ccccc1B4c1cc2c(cc1N3c1ccccc1)N(c1ccccc1)c1cc3c(c4c1B2c1ccccc1S4)C(C)(C)c1cc(Oc2ccccc2)ccc1-3.c1ccc(Oc2ccc3c(c2)oc2c4c5c(cc23)N(c2ccccc2)c2cc3c(cc2B5c2ccccc2S4)B2c4ccccc4Sc4c2c(cc2c4oc4cc(Oc5ccccc5)ccc42)N3c2ccccc2)cc1.c1ccc(Oc2ccc3c4c5c(cc3c2)N(c2ccccc2)c2cc3c(cc2B5c2ccccc2S4)B2c4ccccc4Sc4c2c(cc2cc(Oc5ccccc5)ccc42)N3c2ccccc2)cc1.c1ccc(Oc2ccc3c4c5c(cc3c2)Sc2ccccc2B5c2cc3c(cc2N4c2ccccc2)N(c2ccccc2)c2c4c(cc5cc(Oc6ccccc6)ccc25)Sc2ccccc2B34)cc1.

What is the InChIKey of 18,36-diphenoxy-25,29-diphenyl-15,39-dioxa-12,42-dithia-25,29-diaza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.016,21.032,40.033,38.041,49.043,48.024,50]pentaconta-2(28),3,6,8,10,13,16(21),17,19,22,24(50),26,30(49),31,33(38),34,36,40,43,45,47-henicosaene;17,31-diphenoxy-22,26-diphenyl-12,36-dithia-22,26-diaza-1,5-diboraundecacyclo[25.15.1.15,13.02,25.04,23.06,11.014,19.029,34.035,43.037,42.021,44]tetratetraconta-2(25),3,6,8,10,13,15,17,19,21(44),23,27(43),28,30,32,34,37,39,41-nonadecaene;17,31-diphenoxy-22,26-diphenyl-12,36-dithia-22,26-diaza-1,5-diboraundecacyclo[25.15.1.15,13.02,25.04,23.06,11.015,20.028,33.035,43.037,42.021,44]tetratetraconta-2(25),3,6,8,10,13(44),14,16,18,20,23,27,29,31,33,35(43),37,39,41-nonadecaene;15,15,39,39-tetramethyl-18,36-diphenoxy-25,29-diphenyl-12,42-dithia-25,29-diaza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.016,21.032,40.033,38.041,49.043,48.024,50]pentaconta-2(28),3,6,8,10,13,16(21),17,19,22,24(50),26,30(49),31,33(38),34,36,40,43,45,47-henicosaene?

The InChIKey is RRHUAIWVBKWKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H50B2N2O2S2.C66H38B2N2O4S2.2C62H38B2N2O2S2/c1-71(2)53-37-47(77-45-25-13-7-14-26-45)33-35-49(53)51-39-61-67-69(65(51)71)79-63-31-19-17-29-55(63)73(67)57-41-58-60(42-59(57)75(61)43-21-9-5-10-22-43)76(44-23-11-6-12-24-44)62-40-52-50-36-34-48(78-46-27-15-8-16-28-46)38-54(50)72(3,4)66(52)70-68(62)74(58)56-30-18-20-32-64(56)80-70;1-5-17-39(18-6-1)69-53-38-54-52(37-51(53)67-49-25-13-15-27-59(49)75-65-61(67)55(69)35-47-45-31-29-43(33-57(45)73-63(47)65)71-41-21-9-3-10-22-41)68-50-26-14-16-28-60(50)76-66-62(68)56(70(54)40-19-7-2-8-20-40)36-48-46-32-30-44(34-58(46)74-64(48)66)72-42-23-11-4-12-24-42;1-5-17-41(18-6-1)65-53-38-54-52(37-51(53)63-49-25-13-15-27-57(49)69-61-47-31-29-45(67-43-21-9-3-10-22-43)33-39(47)35-55(65)59(61)63)64-50-26-14-16-28-58(50)70-62-48-32-30-46(68-44-23-11-4-12-24-44)34-40(48)36-56(60(62)64)66(54)42-19-7-2-8-20-42;1-5-17-41(18-6-1)65-53-38-54-52(37-51(53)63-49-25-13-15-27-55(49)69-57-35-39-33-45(67-43-21-9-3-10-22-43)29-31-47(39)61(65)59(57)63)64-50-26-14-16-28-56(50)70-58-36-40-34-46(68-44-23-11-4-12-24-44)30-32-48(40)62(60(58)64)66(54)42-19-7-2-8-20-42/h5-42H,1-4H3;1-38H;2*1-38H.

What are the key properties of 18,36-diphenoxy-25,29-diphenyl-15,39-dioxa-12,42-dithia-25,29-diaza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.016,21.032,40.033,38.041,49.043,48.024,50]pentaconta-2(28),3,6,8,10,13,16(21),17,19,22,24(50),26,30(49),31,33(38),34,36,40,43,45,47-henicosaene;17,31-diphenoxy-22,26-diphenyl-12,36-dithia-22,26-diaza-1,5-diboraundecacyclo[25.15.1.15,13.02,25.04,23.06,11.014,19.029,34.035,43.037,42.021,44]tetratetraconta-2(25),3,6,8,10,13,15,17,19,21(44),23,27(43),28,30,32,34,37,39,41-nonadecaene;17,31-diphenoxy-22,26-diphenyl-12,36-dithia-22,26-diaza-1,5-diboraundecacyclo[25.15.1.15,13.02,25.04,23.06,11.015,20.028,33.035,43.037,42.021,44]tetratetraconta-2(25),3,6,8,10,13(44),14,16,18,20,23,27,29,31,33,35(43),37,39,41-nonadecaene;15,15,39,39-tetramethyl-18,36-diphenoxy-25,29-diphenyl-12,42-dithia-25,29-diaza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.016,21.032,40.033,38.041,49.043,48.024,50]pentaconta-2(28),3,6,8,10,13,16(21),17,19,22,24(50),26,30(49),31,33(38),34,36,40,43,45,47-henicosaene?

18,36-diphenoxy-25,29-diphenyl-15,39-dioxa-12,42-dithia-25,29-diaza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.016,21.032,40.033,38.041,49.043,48.024,50]pentaconta-2(28),3,6,8,10,13,16(21),17,19,22,24(50),26,30(49),31,33(38),34,36,40,43,45,47-henicosaene;17,31-diphenoxy-22,26-diphenyl-12,36-dithia-22,26-diaza-1,5-diboraundecacyclo[25.15.1.15,13.02,25.04,23.06,11.014,19.029,34.035,43.037,42.021,44]tetratetraconta-2(25),3,6,8,10,13,15,17,19,21(44),23,27(43),28,30,32,34,37,39,41-nonadecaene;17,31-diphenoxy-22,26-diphenyl-12,36-dithia-22,26-diaza-1,5-diboraundecacyclo[25.15.1.15,13.02,25.04,23.06,11.015,20.028,33.035,43.037,42.021,44]tetratetraconta-2(25),3,6,8,10,13(44),14,16,18,20,23,27,29,31,33,35(43),37,39,41-nonadecaene;15,15,39,39-tetramethyl-18,36-diphenoxy-25,29-diphenyl-12,42-dithia-25,29-diaza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.016,21.032,40.033,38.041,49.043,48.024,50]pentaconta-2(28),3,6,8,10,13,16(21),17,19,22,24(50),26,30(49),31,33(38),34,36,40,43,45,47-henicosaene has a molecular weight of 3927.27 g/mol, XLogP of 56.22, 24 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 18,36-diphenoxy-25,29-diphenyl-15,39-dioxa-12,42-dithia-25,29-diaza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.016,21.032,40.033,38.041,49.043,48.024,50]pentaconta-2(28),3,6,8,10,13,16(21),17,19,22,24(50),26,30(49),31,33(38),34,36,40,43,45,47-henicosaene;17,31-diphenoxy-22,26-diphenyl-12,36-dithia-22,26-diaza-1,5-diboraundecacyclo[25.15.1.15,13.02,25.04,23.06,11.014,19.029,34.035,43.037,42.021,44]tetratetraconta-2(25),3,6,8,10,13,15,17,19,21(44),23,27(43),28,30,32,34,37,39,41-nonadecaene;17,31-diphenoxy-22,26-diphenyl-12,36-dithia-22,26-diaza-1,5-diboraundecacyclo[25.15.1.15,13.02,25.04,23.06,11.015,20.028,33.035,43.037,42.021,44]tetratetraconta-2(25),3,6,8,10,13(44),14,16,18,20,23,27,29,31,33,35(43),37,39,41-nonadecaene;15,15,39,39-tetramethyl-18,36-diphenoxy-25,29-diphenyl-12,42-dithia-25,29-diaza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.016,21.032,40.033,38.041,49.043,48.024,50]pentaconta-2(28),3,6,8,10,13,16(21),17,19,22,24(50),26,30(49),31,33(38),34,36,40,43,45,47-henicosaene is sourced from PubChem (CID 160706631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).