15-N,15-N,25-N,25-N,35-N,35-N,18,22,32,38-decakis-phenyl-12,28-dioxa-18,22,32,38-tetraza-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),3,6,8,10,13,15,17(51),19,23(49),24,26,29(48),30,33,35,37(50),39,41,43,46-henicosaene-15,25,35-triamine;methane;18,22,32,38-tetraphenyl-12,28-dioxa-18,22,32,38-tetraza-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),3,6,8,10,13,15,17(51),19,23(49),24,26,29(48),30,33,35,37(50),39,41,43,46-henicosaene;15,25,35-tri(carbazol-9-yl)-38-phenyl-18,22-bis(2,4,6-trimethylphenyl)-12,28-dioxa-18,22,32,38-tetraza-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),3,6,8,10,13,15,17(51),19,23(49),24,26,29(48),30,33(50),34,36,39,41,43,46-henicosaene;1,3,5-trimethylbenzene;15,25,35-trimethyl-18,28,32,38-tetraphenyl-12,22-dioxa-18,28,32,38-tetraza-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),3,6,8,10,13,15,17(51),19,23,25,27(49),29(48),30,33,35,37(50),39,41,43,46-henicosaene

C349H242B12N22O8 — CID 163656266

About 15-N,15-N,25-N,25-N,35-N,35-N,18,22,32,38-decakis-phenyl-12,28-dioxa-18,22,32,38-tetraza-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),3,6,8,10,13,15,17(51),19,23(49),24,26,29(48),30,33,35,37(50),39,41,43,46-henicosaene-15,25,35-triamine;methane;18,22,32,38-tetraphenyl-12,28-dioxa-18,22,32,38-tetraza-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),3,6,8,10,13,15,17(51),19,23(49),24,26,29(48),30,33,35,37(50),39,41,43,46-henicosaene;15,25,35-tri(carbazol-9-yl)-38-phenyl-18,22-bis(2,4,6-trimethylphenyl)-12,28-dioxa-18,22,32,38-tetraza-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),3,6,8,10,13,15,17(51),19,23(49),24,26,29(48),30,33(50),34,36,39,41,43,46-henicosaene;1,3,5-trimethylbenzene;15,25,35-trimethyl-18,28,32,38-tetraphenyl-12,22-dioxa-18,28,32,38-tetraza-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),3,6,8,10,13,15,17(51),19,23,25,27(49),29(48),30,33,35,37(50),39,41,43,46-henicosaene

15-N,15-N,25-N,25-N,35-N,35-N,18,22,32,38-decakis-phenyl-12,28-dioxa-18,22,32,38-tetraza-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),3,6,8,10,13,15,17(51),19,23(49),24,26,29(48),30,33,35,37(50),39,41,43,46-henicosaene-15,25,35-triamine;methane;18,22,32,38-tetraphenyl-12,28-dioxa-18,22,32,38-tetraza-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),3,6,8,10,13,15,17(51),19,23(49),24,26,29(48),30,33,35,37(50),39,41,43,46-henicosaene;15,25,35-tri(carbazol-9-yl)-38-phenyl-18,22-bis(2,4,6-trimethylphenyl)-12,28-dioxa-18,22,32,38-tetraza-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),3,6,8,10,13,15,17(51),19,23(49),24,26,29(48),30,33(50),34,36,39,41,43,46-henicosaene;1,3,5-trimethylbenzene;15,25,35-trimethyl-18,28,32,38-tetraphenyl-12,22-dioxa-18,28,32,38-tetraza-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),3,6,8,10,13,15,17(51),19,23,25,27(49),29(48),30,33,35,37(50),39,41,43,46-henicosaene (PubChem CID 163656266) has the molecular formula C349H242B12N22O8 and a molecular weight of 5001.66 g/mol. Its IUPAC name is 15-N,15-N,25-N,25-N,35-N,35-N,18,22,32,38-decakis-phenyl-12,28-dioxa-18,22,32,38-tetraza-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),3,6,8,10,13,15,17(51),19,23(49),24,26,29(48),30,33,35,37(50),39,41,43,46-henicosaene-15,25,35-triamine;methane;18,22,32,38-tetraphenyl-12,28-dioxa-18,22,32,38-tetraza-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),3,6,8,10,13,15,17(51),19,23(49),24,26,29(48),30,33,35,37(50),39,41,43,46-henicosaene;15,25,35-tri(carbazol-9-yl)-38-phenyl-18,22-bis(2,4,6-trimethylphenyl)-12,28-dioxa-18,22,32,38-tetraza-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),3,6,8,10,13,15,17(51),19,23(49),24,26,29(48),30,33(50),34,36,39,41,43,46-henicosaene;1,3,5-trimethylbenzene;15,25,35-trimethyl-18,28,32,38-tetraphenyl-12,22-dioxa-18,28,32,38-tetraza-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),3,6,8,10,13,15,17(51),19,23,25,27(49),29(48),30,33,35,37(50),39,41,43,46-henicosaene.

Molecular Properties

• Compound Name: 15-N,15-N,25-N,25-N,35-N,35-N,18,22,32,38-decakis-phenyl-12,28-dioxa-18,22,32,38-tetraza-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),3,6,8,10,13,15,17(51),19,23(49),24,26,29(48),30,33,35,37(50),39,41,43,46-henicosaene-15,25,35-triamine;methane;18,22,32,38-tetraphenyl-12,28-dioxa-18,22,32,38-tetraza-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),3,6,8,10,13,15,17(51),19,23(49),24,26,29(48),30,33,35,37(50),39,41,43,46-henicosaene;15,25,35-tri(carbazol-9-yl)-38-phenyl-18,22-bis(2,4,6-trimethylphenyl)-12,28-dioxa-18,22,32,38-tetraza-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),3,6,8,10,13,15,17(51),19,23(49),24,26,29(48),30,33(50),34,36,39,41,43,46-henicosaene;1,3,5-trimethylbenzene;15,25,35-trimethyl-18,28,32,38-tetraphenyl-12,22-dioxa-18,28,32,38-tetraza-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),3,6,8,10,13,15,17(51),19,23,25,27(49),29(48),30,33,35,37(50),39,41,43,46-henicosaene
• PubChem CID: 163656266
• Molecular Formula: C349H242B12N22O8
• Molecular Weight: 5001.66 g/mol
• Exact Mass: 5000.03
• IUPAC Name: 15-N,15-N,25-N,25-N,35-N,35-N,18,22,32,38-decakis-phenyl-12,28-dioxa-18,22,32,38-tetraza-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),3,6,8,10,13,15,17(51),19,23(49),24,26,29(48),30,33,35,37(50),39,41,43,46-henicosaene-15,25,35-triamine;methane;18,22,32,38-tetraphenyl-12,28-dioxa-18,22,32,38-tetraza-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),3,6,8,10,13,15,17(51),19,23(49),24,26,29(48),30,33,35,37(50),39,41,43,46-henicosaene;15,25,35-tri(carbazol-9-yl)-38-phenyl-18,22-bis(2,4,6-trimethylphenyl)-12,28-dioxa-18,22,32,38-tetraza-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),3,6,8,10,13,15,17(51),19,23(49),24,26,29(48),30,33(50),34,36,39,41,43,46-henicosaene;1,3,5-trimethylbenzene;15,25,35-trimethyl-18,28,32,38-tetraphenyl-12,22-dioxa-18,28,32,38-tetraza-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),3,6,8,10,13,15,17(51),19,23,25,27(49),29(48),30,33,35,37(50),39,41,43,46-henicosaene
• SMILES: C.Cc1cc(C)c(N2c3cc4c(cc3B3c5ccccc5Oc5cc(-n6c7ccccc7c7ccccc76)cc2c53)B2c3cc5c(cc3Oc3cc(-n6c7ccccc7c7ccccc76)cc(c32)N4c2c(C)cc(C)cc2C)Nc2cc(-n3c4ccccc4c4ccccc43)cc3c2B5c2ccccc2N3c2ccccc2)c(C)c1.Cc1cc(C)cc(C)c1.Cc1cc2c3c(c1)N(c1ccccc1)c1cc4c(cc1B3c1ccccc1O2)B1c2cc3c(cc2N(c2ccccc2)c2cc(C)cc(c21)O4)N(c1ccccc1)c1cc(C)cc2c1B3c1ccccc1N2c1ccccc1.c1ccc(N(c2ccccc2)c2cc3c4c(c2)N(c2ccccc2)c2cc5c(cc2B4c2ccccc2O3)B2c3cc4c(cc3Oc3cc(N(c6ccccc6)c6ccccc6)cc(c32)N5c2ccccc2)N(c2ccccc2)c2cc(N(c3ccccc3)c3ccccc3)cc3c2B4c2ccccc2N3c2ccccc2)cc1.c1ccc(N2c3cc4c(cc3B3c5ccccc5Oc5cccc2c53)B2c3cc5c(cc3Oc3cccc(c32)N4c2ccccc2)N(c2ccccc2)c2cccc3c2B5c2ccccc2N3c2ccccc2)cc1
• InChI: InChI=1S/C102H70B3N7O2.C102H68B3N7O2.C69H47B3N4O2.C66H41B3N4O2.C9H12.CH4/c1-58-44-60(3)101(61(4)45-58)111-89-57-90-78(55-77(89)104-75-35-17-25-43-94(75)113-96-52-66(50-92(111)99(96)104)109-84-38-20-12-30-70(84)71-31-13-21-39-85(71)109)105-79-54-76-80(56-95(79)114-97-53-67(110-86-40-22-14-32-72(86)73-33-15-23-41-87(73)110)51-93(100(97)105)112(90)102-62(5)46-59(2)47-63(102)6)106-81-48-65(108-82-36-18-10-28-68(82)69-29-11-19-37-83(69)108)49-91-98(81)103(76)74-34-16-24-42-88(74)107(91)64-26-8-7-9-27-64;1-11-35-69(36-12-1)106(70-37-13-2-14-38-70)79-59-92-100-93(60-79)112(78-53-29-10-30-54-78)91-68-97-87(66-86(91)103(100)82-55-31-33-57-88(82)109(92)75-47-23-7-24-48-75)105-85-65-84-89(67-90(85)111(77-51-27-9-28-52-77)95-62-81(64-99(114-97)102(95)105)108(73-43-19-5-20-44-73)74-45-21-6-22-46-74)110(76-49-25-8-26-50-76)94-61-80(63-98-101(94)104(84)83-56-32-34-58-96(83)113-98)107(71-39-15-3-16-40-71)72-41-17-4-18-42-72;1-42-32-59-67-60(33-42)74(46-22-10-5-11-23-46)56-40-57-52(38-51(56)70(67)49-28-16-18-30-55(49)73(59)45-20-8-4-9-21-45)72-54-39-53-58(41-64(54)78-66-37-44(3)35-62(69(66)72)75(57)47-24-12-6-13-25-47)76(48-26-14-7-15-27-48)61-34-43(2)36-65-68(61)71(53)50-29-17-19-31-63(50)77-65;1-5-20-42(21-6-1)70-52-30-15-13-28-46(52)67-50-39-51-63(41-59(50)71(43-22-7-2-8-23-43)54-32-17-31-53(70)64(54)67)75-62-37-19-34-56-66(62)69(51)49-38-48-57(40-58(49)73(56)45-26-11-4-12-27-45)72(44-24-9-3-10-25-44)55-33-18-36-61-65(55)68(48)47-29-14-16-35-60(47)74-61;1-7-4-8(2)6-9(3)5-7;/h7-57,106H,1-6H3;1-68H;4-41H,1-3H3;1-41H;4-6H,1-3H3;1H4
• InChIKey: IQMJJDGNVMDMNP-UHFFFAOYSA-N
• XLogP: 66.32
• TPSA: 158.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 30
• Rotatable Bonds: 27
• Heavy Atoms: 391
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	5001.66
LogP ≤ 5	66.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 15-N,15-N,25-N,25-N,35-N,35-N,18,22,32,38-decakis-phenyl-12,28-dioxa-18,22,32,38-tetraza-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),3,6,8,10,13,15,17(51),19,23(49),24,26,29(48),30,33,35,37(50),39,41,43,46-henicosaene-15,25,35-triamine;methane;18,22,32,38-tetraphenyl-12,28-dioxa-18,22,32,38-tetraza-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),3,6,8,10,13,15,17(51),19,23(49),24,26,29(48),30,33,35,37(50),39,41,43,46-henicosaene;15,25,35-tri(carbazol-9-yl)-38-phenyl-18,22-bis(2,4,6-trimethylphenyl)-12,28-dioxa-18,22,32,38-tetraza-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),3,6,8,10,13,15,17(51),19,23(49),24,26,29(48),30,33(50),34,36,39,41,43,46-henicosaene;1,3,5-trimethylbenzene;15,25,35-trimethyl-18,28,32,38-tetraphenyl-12,22-dioxa-18,28,32,38-tetraza-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),3,6,8,10,13,15,17(51),19,23,25,27(49),29(48),30,33,35,37(50),39,41,43,46-henicosaene?

The IUPAC name of 15-N,15-N,25-N,25-N,35-N,35-N,18,22,32,38-decakis-phenyl-12,28-dioxa-18,22,32,38-tetraza-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),3,6,8,10,13,15,17(51),19,23(49),24,26,29(48),30,33,35,37(50),39,41,43,46-henicosaene-15,25,35-triamine;methane;18,22,32,38-tetraphenyl-12,28-dioxa-18,22,32,38-tetraza-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),3,6,8,10,13,15,17(51),19,23(49),24,26,29(48),30,33,35,37(50),39,41,43,46-henicosaene;15,25,35-tri(carbazol-9-yl)-38-phenyl-18,22-bis(2,4,6-trimethylphenyl)-12,28-dioxa-18,22,32,38-tetraza-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),3,6,8,10,13,15,17(51),19,23(49),24,26,29(48),30,33(50),34,36,39,41,43,46-henicosaene;1,3,5-trimethylbenzene;15,25,35-trimethyl-18,28,32,38-tetraphenyl-12,22-dioxa-18,28,32,38-tetraza-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),3,6,8,10,13,15,17(51),19,23,25,27(49),29(48),30,33,35,37(50),39,41,43,46-henicosaene (CID 163656266) is 15-N,15-N,25-N,25-N,35-N,35-N,18,22,32,38-decakis-phenyl-12,28-dioxa-18,22,32,38-tetraza-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),3,6,8,10,13,15,17(51),19,23(49),24,26,29(48),30,33,35,37(50),39,41,43,46-henicosaene-15,25,35-triamine;methane;18,22,32,38-tetraphenyl-12,28-dioxa-18,22,32,38-tetraza-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),3,6,8,10,13,15,17(51),19,23(49),24,26,29(48),30,33,35,37(50),39,41,43,46-henicosaene;15,25,35-tri(carbazol-9-yl)-38-phenyl-18,22-bis(2,4,6-trimethylphenyl)-12,28-dioxa-18,22,32,38-tetraza-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),3,6,8,10,13,15,17(51),19,23(49),24,26,29(48),30,33(50),34,36,39,41,43,46-henicosaene;1,3,5-trimethylbenzene;15,25,35-trimethyl-18,28,32,38-tetraphenyl-12,22-dioxa-18,28,32,38-tetraza-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),3,6,8,10,13,15,17(51),19,23,25,27(49),29(48),30,33,35,37(50),39,41,43,46-henicosaene.

What is the SMILES notation for 15-N,15-N,25-N,25-N,35-N,35-N,18,22,32,38-decakis-phenyl-12,28-dioxa-18,22,32,38-tetraza-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),3,6,8,10,13,15,17(51),19,23(49),24,26,29(48),30,33,35,37(50),39,41,43,46-henicosaene-15,25,35-triamine;methane;18,22,32,38-tetraphenyl-12,28-dioxa-18,22,32,38-tetraza-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),3,6,8,10,13,15,17(51),19,23(49),24,26,29(48),30,33,35,37(50),39,41,43,46-henicosaene;15,25,35-tri(carbazol-9-yl)-38-phenyl-18,22-bis(2,4,6-trimethylphenyl)-12,28-dioxa-18,22,32,38-tetraza-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),3,6,8,10,13,15,17(51),19,23(49),24,26,29(48),30,33(50),34,36,39,41,43,46-henicosaene;1,3,5-trimethylbenzene;15,25,35-trimethyl-18,28,32,38-tetraphenyl-12,22-dioxa-18,28,32,38-tetraza-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),3,6,8,10,13,15,17(51),19,23,25,27(49),29(48),30,33,35,37(50),39,41,43,46-henicosaene?

The canonical SMILES for 15-N,15-N,25-N,25-N,35-N,35-N,18,22,32,38-decakis-phenyl-12,28-dioxa-18,22,32,38-tetraza-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),3,6,8,10,13,15,17(51),19,23(49),24,26,29(48),30,33,35,37(50),39,41,43,46-henicosaene-15,25,35-triamine;methane;18,22,32,38-tetraphenyl-12,28-dioxa-18,22,32,38-tetraza-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),3,6,8,10,13,15,17(51),19,23(49),24,26,29(48),30,33,35,37(50),39,41,43,46-henicosaene;15,25,35-tri(carbazol-9-yl)-38-phenyl-18,22-bis(2,4,6-trimethylphenyl)-12,28-dioxa-18,22,32,38-tetraza-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),3,6,8,10,13,15,17(51),19,23(49),24,26,29(48),30,33(50),34,36,39,41,43,46-henicosaene;1,3,5-trimethylbenzene;15,25,35-trimethyl-18,28,32,38-tetraphenyl-12,22-dioxa-18,28,32,38-tetraza-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),3,6,8,10,13,15,17(51),19,23,25,27(49),29(48),30,33,35,37(50),39,41,43,46-henicosaene is C.Cc1cc(C)c(N2c3cc4c(cc3B3c5ccccc5Oc5cc(-n6c7ccccc7c7ccccc76)cc2c53)B2c3cc5c(cc3Oc3cc(-n6c7ccccc7c7ccccc76)cc(c32)N4c2c(C)cc(C)cc2C)Nc2cc(-n3c4ccccc4c4ccccc43)cc3c2B5c2ccccc2N3c2ccccc2)c(C)c1.Cc1cc(C)cc(C)c1.Cc1cc2c3c(c1)N(c1ccccc1)c1cc4c(cc1B3c1ccccc1O2)B1c2cc3c(cc2N(c2ccccc2)c2cc(C)cc(c21)O4)N(c1ccccc1)c1cc(C)cc2c1B3c1ccccc1N2c1ccccc1.c1ccc(N(c2ccccc2)c2cc3c4c(c2)N(c2ccccc2)c2cc5c(cc2B4c2ccccc2O3)B2c3cc4c(cc3Oc3cc(N(c6ccccc6)c6ccccc6)cc(c32)N5c2ccccc2)N(c2ccccc2)c2cc(N(c3ccccc3)c3ccccc3)cc3c2B4c2ccccc2N3c2ccccc2)cc1.c1ccc(N2c3cc4c(cc3B3c5ccccc5Oc5cccc2c53)B2c3cc5c(cc3Oc3cccc(c32)N4c2ccccc2)N(c2ccccc2)c2cccc3c2B5c2ccccc2N3c2ccccc2)cc1.

What is the InChIKey of 15-N,15-N,25-N,25-N,35-N,35-N,18,22,32,38-decakis-phenyl-12,28-dioxa-18,22,32,38-tetraza-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),3,6,8,10,13,15,17(51),19,23(49),24,26,29(48),30,33,35,37(50),39,41,43,46-henicosaene-15,25,35-triamine;methane;18,22,32,38-tetraphenyl-12,28-dioxa-18,22,32,38-tetraza-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),3,6,8,10,13,15,17(51),19,23(49),24,26,29(48),30,33,35,37(50),39,41,43,46-henicosaene;15,25,35-tri(carbazol-9-yl)-38-phenyl-18,22-bis(2,4,6-trimethylphenyl)-12,28-dioxa-18,22,32,38-tetraza-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),3,6,8,10,13,15,17(51),19,23(49),24,26,29(48),30,33(50),34,36,39,41,43,46-henicosaene;1,3,5-trimethylbenzene;15,25,35-trimethyl-18,28,32,38-tetraphenyl-12,22-dioxa-18,28,32,38-tetraza-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),3,6,8,10,13,15,17(51),19,23,25,27(49),29(48),30,33,35,37(50),39,41,43,46-henicosaene?

The InChIKey is IQMJJDGNVMDMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C102H70B3N7O2.C102H68B3N7O2.C69H47B3N4O2.C66H41B3N4O2.C9H12.CH4/c1-58-44-60(3)101(61(4)45-58)111-89-57-90-78(55-77(89)104-75-35-17-25-43-94(75)113-96-52-66(50-92(111)99(96)104)109-84-38-20-12-30-70(84)71-31-13-21-39-85(71)109)105-79-54-76-80(56-95(79)114-97-53-67(110-86-40-22-14-32-72(86)73-33-15-23-41-87(73)110)51-93(100(97)105)112(90)102-62(5)46-59(2)47-63(102)6)106-81-48-65(108-82-36-18-10-28-68(82)69-29-11-19-37-83(69)108)49-91-98(81)103(76)74-34-16-24-42-88(74)107(91)64-26-8-7-9-27-64;1-11-35-69(36-12-1)106(70-37-13-2-14-38-70)79-59-92-100-93(60-79)112(78-53-29-10-30-54-78)91-68-97-87(66-86(91)103(100)82-55-31-33-57-88(82)109(92)75-47-23-7-24-48-75)105-85-65-84-89(67-90(85)111(77-51-27-9-28-52-77)95-62-81(64-99(114-97)102(95)105)108(73-43-19-5-20-44-73)74-45-21-6-22-46-74)110(76-49-25-8-26-50-76)94-61-80(63-98-101(94)104(84)83-56-32-34-58-96(83)113-98)107(71-39-15-3-16-40-71)72-41-17-4-18-42-72;1-42-32-59-67-60(33-42)74(46-22-10-5-11-23-46)56-40-57-52(38-51(56)70(67)49-28-16-18-30-55(49)73(59)45-20-8-4-9-21-45)72-54-39-53-58(41-64(54)78-66-37-44(3)35-62(69(66)72)75(57)47-24-12-6-13-25-47)76(48-26-14-7-15-27-48)61-34-43(2)36-65-68(61)71(53)50-29-17-19-31-63(50)77-65;1-5-20-42(21-6-1)70-52-30-15-13-28-46(52)67-50-39-51-63(41-59(50)71(43-22-7-2-8-23-43)54-32-17-31-53(70)64(54)67)75-62-37-19-34-56-66(62)69(51)49-38-48-57(40-58(49)73(56)45-26-11-4-12-27-45)72(44-24-9-3-10-25-44)55-33-18-36-61-65(55)68(48)47-29-14-16-35-60(47)74-61;1-7-4-8(2)6-9(3)5-7;/h7-57,106H,1-6H3;1-68H;4-41H,1-3H3;1-41H;4-6H,1-3H3;1H4.

What are the key properties of 15-N,15-N,25-N,25-N,35-N,35-N,18,22,32,38-decakis-phenyl-12,28-dioxa-18,22,32,38-tetraza-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),3,6,8,10,13,15,17(51),19,23(49),24,26,29(48),30,33,35,37(50),39,41,43,46-henicosaene-15,25,35-triamine;methane;18,22,32,38-tetraphenyl-12,28-dioxa-18,22,32,38-tetraza-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),3,6,8,10,13,15,17(51),19,23(49),24,26,29(48),30,33,35,37(50),39,41,43,46-henicosaene;15,25,35-tri(carbazol-9-yl)-38-phenyl-18,22-bis(2,4,6-trimethylphenyl)-12,28-dioxa-18,22,32,38-tetraza-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),3,6,8,10,13,15,17(51),19,23(49),24,26,29(48),30,33(50),34,36,39,41,43,46-henicosaene;1,3,5-trimethylbenzene;15,25,35-trimethyl-18,28,32,38-tetraphenyl-12,22-dioxa-18,28,32,38-tetraza-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),3,6,8,10,13,15,17(51),19,23,25,27(49),29(48),30,33,35,37(50),39,41,43,46-henicosaene?

15-N,15-N,25-N,25-N,35-N,35-N,18,22,32,38-decakis-phenyl-12,28-dioxa-18,22,32,38-tetraza-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),3,6,8,10,13,15,17(51),19,23(49),24,26,29(48),30,33,35,37(50),39,41,43,46-henicosaene-15,25,35-triamine;methane;18,22,32,38-tetraphenyl-12,28-dioxa-18,22,32,38-tetraza-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),3,6,8,10,13,15,17(51),19,23(49),24,26,29(48),30,33,35,37(50),39,41,43,46-henicosaene;15,25,35-tri(carbazol-9-yl)-38-phenyl-18,22-bis(2,4,6-trimethylphenyl)-12,28-dioxa-18,22,32,38-tetraza-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),3,6,8,10,13,15,17(51),19,23(49),24,26,29(48),30,33(50),34,36,39,41,43,46-henicosaene;1,3,5-trimethylbenzene;15,25,35-trimethyl-18,28,32,38-tetraphenyl-12,22-dioxa-18,28,32,38-tetraza-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),3,6,8,10,13,15,17(51),19,23,25,27(49),29(48),30,33,35,37(50),39,41,43,46-henicosaene has a molecular weight of 5001.66 g/mol, XLogP of 66.32, 27 rotatable bonds, 1 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 15-N,15-N,25-N,25-N,35-N,35-N,18,22,32,38-decakis-phenyl-12,28-dioxa-18,22,32,38-tetraza-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),3,6,8,10,13,15,17(51),19,23(49),24,26,29(48),30,33,35,37(50),39,41,43,46-henicosaene-15,25,35-triamine;methane;18,22,32,38-tetraphenyl-12,28-dioxa-18,22,32,38-tetraza-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),3,6,8,10,13,15,17(51),19,23(49),24,26,29(48),30,33,35,37(50),39,41,43,46-henicosaene;15,25,35-tri(carbazol-9-yl)-38-phenyl-18,22-bis(2,4,6-trimethylphenyl)-12,28-dioxa-18,22,32,38-tetraza-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),3,6,8,10,13,15,17(51),19,23(49),24,26,29(48),30,33(50),34,36,39,41,43,46-henicosaene;1,3,5-trimethylbenzene;15,25,35-trimethyl-18,28,32,38-tetraphenyl-12,22-dioxa-18,28,32,38-tetraza-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),3,6,8,10,13,15,17(51),19,23,25,27(49),29(48),30,33,35,37(50),39,41,43,46-henicosaene is sourced from PubChem (CID 163656266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).