18-N,18-N,28-N,28-N,7,15,21,25,31,39-decakis-phenyl-7,15,21,25,31,39-hexaza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2(24),3,6(14),8,10,12,16,18,20(42),22,26(41),27,29,32(40),33,35,37-heptadecaene-18,28-diamine;18-N,18-N,28-N,28-N,15,21,25,31,39-nonakis-phenyl-7-oxa-15,21,25,31,39-pentaza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2,4(22),6(14),8,10,12,16,18,20(42),23,26(41),27,29,32(40),33,35,37-heptadecaene-18,28-diamine;18-N,18-N,28-N,28-N,15,21,25,31-octakis-phenyl-7-oxa-39-thia-15,21,25,31-tetraza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2(24),3,6(14),8,10,12,16,18,20(42),22,26(41),27,29,32(40),33,35,37-heptadecaene-18,28-diamine;18-N,18-N,28-N,28-N,15,21,25,31-octakis-phenyl-7-thia-39-selena-15,21,25,31-tetraza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2(24),3,6(14),8,10,12,16,18,20(42),22,26(41),27,29,32(40),33,35,37-heptadecaene-18,28-diamine

C346H231B8N27O2S2Se — CID 165065741

About 18-N,18-N,28-N,28-N,7,15,21,25,31,39-decakis-phenyl-7,15,21,25,31,39-hexaza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2(24),3,6(14),8,10,12,16,18,20(42),22,26(41),27,29,32(40),33,35,37-heptadecaene-18,28-diamine;18-N,18-N,28-N,28-N,15,21,25,31,39-nonakis-phenyl-7-oxa-15,21,25,31,39-pentaza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2,4(22),6(14),8,10,12,16,18,20(42),23,26(41),27,29,32(40),33,35,37-heptadecaene-18,28-diamine;18-N,18-N,28-N,28-N,15,21,25,31-octakis-phenyl-7-oxa-39-thia-15,21,25,31-tetraza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2(24),3,6(14),8,10,12,16,18,20(42),22,26(41),27,29,32(40),33,35,37-heptadecaene-18,28-diamine;18-N,18-N,28-N,28-N,15,21,25,31-octakis-phenyl-7-thia-39-selena-15,21,25,31-tetraza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2(24),3,6(14),8,10,12,16,18,20(42),22,26(41),27,29,32(40),33,35,37-heptadecaene-18,28-diamine

18-N,18-N,28-N,28-N,7,15,21,25,31,39-decakis-phenyl-7,15,21,25,31,39-hexaza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2(24),3,6(14),8,10,12,16,18,20(42),22,26(41),27,29,32(40),33,35,37-heptadecaene-18,28-diamine;18-N,18-N,28-N,28-N,15,21,25,31,39-nonakis-phenyl-7-oxa-15,21,25,31,39-pentaza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2,4(22),6(14),8,10,12,16,18,20(42),23,26(41),27,29,32(40),33,35,37-heptadecaene-18,28-diamine;18-N,18-N,28-N,28-N,15,21,25,31-octakis-phenyl-7-oxa-39-thia-15,21,25,31-tetraza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2(24),3,6(14),8,10,12,16,18,20(42),22,26(41),27,29,32(40),33,35,37-heptadecaene-18,28-diamine;18-N,18-N,28-N,28-N,15,21,25,31-octakis-phenyl-7-thia-39-selena-15,21,25,31-tetraza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2(24),3,6(14),8,10,12,16,18,20(42),22,26(41),27,29,32(40),33,35,37-heptadecaene-18,28-diamine (PubChem CID 165065741) has the molecular formula C346H231B8N27O2S2Se and a molecular weight of 5028.43 g/mol. Its IUPAC name is 18-N,18-N,28-N,28-N,7,15,21,25,31,39-decakis-phenyl-7,15,21,25,31,39-hexaza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2(24),3,6(14),8,10,12,16,18,20(42),22,26(41),27,29,32(40),33,35,37-heptadecaene-18,28-diamine;18-N,18-N,28-N,28-N,15,21,25,31,39-nonakis-phenyl-7-oxa-15,21,25,31,39-pentaza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2,4(22),6(14),8,10,12,16,18,20(42),23,26(41),27,29,32(40),33,35,37-heptadecaene-18,28-diamine;18-N,18-N,28-N,28-N,15,21,25,31-octakis-phenyl-7-oxa-39-thia-15,21,25,31-tetraza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2(24),3,6(14),8,10,12,16,18,20(42),22,26(41),27,29,32(40),33,35,37-heptadecaene-18,28-diamine;18-N,18-N,28-N,28-N,15,21,25,31-octakis-phenyl-7-thia-39-selena-15,21,25,31-tetraza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2(24),3,6(14),8,10,12,16,18,20(42),22,26(41),27,29,32(40),33,35,37-heptadecaene-18,28-diamine.

Molecular Properties

• Compound Name: 18-N,18-N,28-N,28-N,7,15,21,25,31,39-decakis-phenyl-7,15,21,25,31,39-hexaza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2(24),3,6(14),8,10,12,16,18,20(42),22,26(41),27,29,32(40),33,35,37-heptadecaene-18,28-diamine;18-N,18-N,28-N,28-N,15,21,25,31,39-nonakis-phenyl-7-oxa-15,21,25,31,39-pentaza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2,4(22),6(14),8,10,12,16,18,20(42),23,26(41),27,29,32(40),33,35,37-heptadecaene-18,28-diamine;18-N,18-N,28-N,28-N,15,21,25,31-octakis-phenyl-7-oxa-39-thia-15,21,25,31-tetraza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2(24),3,6(14),8,10,12,16,18,20(42),22,26(41),27,29,32(40),33,35,37-heptadecaene-18,28-diamine;18-N,18-N,28-N,28-N,15,21,25,31-octakis-phenyl-7-thia-39-selena-15,21,25,31-tetraza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2(24),3,6(14),8,10,12,16,18,20(42),22,26(41),27,29,32(40),33,35,37-heptadecaene-18,28-diamine
• PubChem CID: 165065741
• Molecular Formula: C346H231B8N27O2S2Se
• Molecular Weight: 5028.43 g/mol
• Exact Mass: 5026.82
• IUPAC Name: 18-N,18-N,28-N,28-N,7,15,21,25,31,39-decakis-phenyl-7,15,21,25,31,39-hexaza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2(24),3,6(14),8,10,12,16,18,20(42),22,26(41),27,29,32(40),33,35,37-heptadecaene-18,28-diamine;18-N,18-N,28-N,28-N,15,21,25,31,39-nonakis-phenyl-7-oxa-15,21,25,31,39-pentaza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2,4(22),6(14),8,10,12,16,18,20(42),23,26(41),27,29,32(40),33,35,37-heptadecaene-18,28-diamine;18-N,18-N,28-N,28-N,15,21,25,31-octakis-phenyl-7-oxa-39-thia-15,21,25,31-tetraza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2(24),3,6(14),8,10,12,16,18,20(42),22,26(41),27,29,32(40),33,35,37-heptadecaene-18,28-diamine;18-N,18-N,28-N,28-N,15,21,25,31-octakis-phenyl-7-thia-39-selena-15,21,25,31-tetraza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2(24),3,6(14),8,10,12,16,18,20(42),22,26(41),27,29,32(40),33,35,37-heptadecaene-18,28-diamine
• SMILES: c1ccc(N(c2ccccc2)c2cc3c4c(c2)N(c2ccccc2)c2c(n(-c5ccccc5)c5ccccc25)B4c2cc4c(cc2N3c2ccccc2)N(c2ccccc2)c2cc(N(c3ccccc3)c3ccccc3)cc3c2B4c2c(c4ccccc4n2-c2ccccc2)N3c2ccccc2)cc1.c1ccc(N(c2ccccc2)c2cc3c4c(c2)N(c2ccccc2)c2c(oc5ccccc25)B4c2cc4c(cc2N3c2ccccc2)N(c2ccccc2)c2cc(N(c3ccccc3)c3ccccc3)cc3c2B4c2c(c4ccccc4n2-c2ccccc2)N3c2ccccc2)cc1.c1ccc(N(c2ccccc2)c2cc3c4c(c2)N(c2ccccc2)c2c(oc5ccccc25)B4c2cc4c(cc2N3c2ccccc2)N(c2ccccc2)c2cc(N(c3ccccc3)c3ccccc3)cc3c2B4c2sc4ccccc4c2N3c2ccccc2)cc1.c1ccc(N(c2ccccc2)c2cc3c4c(c2)N(c2ccccc2)c2c(sc5ccccc25)B4c2cc4c(cc2N3c2ccccc2)N(c2ccccc2)c2cc(N(c3ccccc3)c3ccccc3)cc3c2B4c2[se]c4ccccc4c2N3c2ccccc2)cc1
• InChI: InChI=1S/C94H64B2N8.C88H59B2N7O.C82H54B2N6OS.C82H54B2N6SSe/c1-11-35-65(36-12-1)97(66-37-13-2-14-38-66)75-59-85-89-87(61-75)101(71-47-23-7-24-48-71)91-77-55-31-33-57-81(77)103(73-51-27-9-28-52-73)93(91)95(89)79-63-80-84(64-83(79)99(85)69-43-19-5-20-44-69)100(70-45-21-6-22-46-70)86-60-76(98(67-39-15-3-16-40-67)68-41-17-4-18-42-68)62-88-90(86)96(80)94-92(102(88)72-49-25-8-26-50-72)78-56-32-34-58-82(78)104(94)74-53-29-10-30-54-74;1-10-32-60(33-11-1)91(61-34-12-2-13-35-61)69-54-78-83-80(56-69)95(66-44-22-7-23-45-66)85-71-50-28-30-52-75(71)97(68-48-26-9-27-49-68)87(85)89(83)73-58-74-77(59-76(73)93(78)64-40-18-5-19-41-64)94(65-42-20-6-21-43-65)79-55-70(92(62-36-14-3-15-37-62)63-38-16-4-17-39-63)57-81-84(79)90(74)88-86(72-51-29-31-53-82(72)98-88)96(81)67-46-24-8-25-47-67;2*1-9-29-55(30-10-1)85(56-31-11-2-12-32-56)63-49-71-77-73(51-63)89(61-41-21-7-22-42-61)79-65-45-25-27-47-75(65)91-81(79)83(77)67-53-68-70(54-69(67)87(71)59-37-17-5-18-38-59)88(60-39-19-6-20-40-60)72-50-64(86(57-33-13-3-14-34-57)58-35-15-4-16-36-58)52-74-78(72)84(68)82-80(66-46-26-28-48-76(66)92-82)90(74)62-43-23-8-24-44-62/h1-64H;1-59H;2*1-54H
• InChIKey: RXTFQGZLHURVDQ-UHFFFAOYSA-N
• XLogP: 77.13
• TPSA: 118.83 Ų
• H-Bond Acceptors: 31
• Rotatable Bonds: 43
• Heavy Atoms: 386
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	5028.43
LogP ≤ 5	77.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 18-N,18-N,28-N,28-N,7,15,21,25,31,39-decakis-phenyl-7,15,21,25,31,39-hexaza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2(24),3,6(14),8,10,12,16,18,20(42),22,26(41),27,29,32(40),33,35,37-heptadecaene-18,28-diamine;18-N,18-N,28-N,28-N,15,21,25,31,39-nonakis-phenyl-7-oxa-15,21,25,31,39-pentaza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2,4(22),6(14),8,10,12,16,18,20(42),23,26(41),27,29,32(40),33,35,37-heptadecaene-18,28-diamine;18-N,18-N,28-N,28-N,15,21,25,31-octakis-phenyl-7-oxa-39-thia-15,21,25,31-tetraza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2(24),3,6(14),8,10,12,16,18,20(42),22,26(41),27,29,32(40),33,35,37-heptadecaene-18,28-diamine;18-N,18-N,28-N,28-N,15,21,25,31-octakis-phenyl-7-thia-39-selena-15,21,25,31-tetraza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2(24),3,6(14),8,10,12,16,18,20(42),22,26(41),27,29,32(40),33,35,37-heptadecaene-18,28-diamine?

The IUPAC name of 18-N,18-N,28-N,28-N,7,15,21,25,31,39-decakis-phenyl-7,15,21,25,31,39-hexaza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2(24),3,6(14),8,10,12,16,18,20(42),22,26(41),27,29,32(40),33,35,37-heptadecaene-18,28-diamine;18-N,18-N,28-N,28-N,15,21,25,31,39-nonakis-phenyl-7-oxa-15,21,25,31,39-pentaza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2,4(22),6(14),8,10,12,16,18,20(42),23,26(41),27,29,32(40),33,35,37-heptadecaene-18,28-diamine;18-N,18-N,28-N,28-N,15,21,25,31-octakis-phenyl-7-oxa-39-thia-15,21,25,31-tetraza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2(24),3,6(14),8,10,12,16,18,20(42),22,26(41),27,29,32(40),33,35,37-heptadecaene-18,28-diamine;18-N,18-N,28-N,28-N,15,21,25,31-octakis-phenyl-7-thia-39-selena-15,21,25,31-tetraza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2(24),3,6(14),8,10,12,16,18,20(42),22,26(41),27,29,32(40),33,35,37-heptadecaene-18,28-diamine (CID 165065741) is 18-N,18-N,28-N,28-N,7,15,21,25,31,39-decakis-phenyl-7,15,21,25,31,39-hexaza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2(24),3,6(14),8,10,12,16,18,20(42),22,26(41),27,29,32(40),33,35,37-heptadecaene-18,28-diamine;18-N,18-N,28-N,28-N,15,21,25,31,39-nonakis-phenyl-7-oxa-15,21,25,31,39-pentaza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2,4(22),6(14),8,10,12,16,18,20(42),23,26(41),27,29,32(40),33,35,37-heptadecaene-18,28-diamine;18-N,18-N,28-N,28-N,15,21,25,31-octakis-phenyl-7-oxa-39-thia-15,21,25,31-tetraza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2(24),3,6(14),8,10,12,16,18,20(42),22,26(41),27,29,32(40),33,35,37-heptadecaene-18,28-diamine;18-N,18-N,28-N,28-N,15,21,25,31-octakis-phenyl-7-thia-39-selena-15,21,25,31-tetraza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2(24),3,6(14),8,10,12,16,18,20(42),22,26(41),27,29,32(40),33,35,37-heptadecaene-18,28-diamine.

What is the SMILES notation for 18-N,18-N,28-N,28-N,7,15,21,25,31,39-decakis-phenyl-7,15,21,25,31,39-hexaza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2(24),3,6(14),8,10,12,16,18,20(42),22,26(41),27,29,32(40),33,35,37-heptadecaene-18,28-diamine;18-N,18-N,28-N,28-N,15,21,25,31,39-nonakis-phenyl-7-oxa-15,21,25,31,39-pentaza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2,4(22),6(14),8,10,12,16,18,20(42),23,26(41),27,29,32(40),33,35,37-heptadecaene-18,28-diamine;18-N,18-N,28-N,28-N,15,21,25,31-octakis-phenyl-7-oxa-39-thia-15,21,25,31-tetraza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2(24),3,6(14),8,10,12,16,18,20(42),22,26(41),27,29,32(40),33,35,37-heptadecaene-18,28-diamine;18-N,18-N,28-N,28-N,15,21,25,31-octakis-phenyl-7-thia-39-selena-15,21,25,31-tetraza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2(24),3,6(14),8,10,12,16,18,20(42),22,26(41),27,29,32(40),33,35,37-heptadecaene-18,28-diamine?

The canonical SMILES for 18-N,18-N,28-N,28-N,7,15,21,25,31,39-decakis-phenyl-7,15,21,25,31,39-hexaza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2(24),3,6(14),8,10,12,16,18,20(42),22,26(41),27,29,32(40),33,35,37-heptadecaene-18,28-diamine;18-N,18-N,28-N,28-N,15,21,25,31,39-nonakis-phenyl-7-oxa-15,21,25,31,39-pentaza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2,4(22),6(14),8,10,12,16,18,20(42),23,26(41),27,29,32(40),33,35,37-heptadecaene-18,28-diamine;18-N,18-N,28-N,28-N,15,21,25,31-octakis-phenyl-7-oxa-39-thia-15,21,25,31-tetraza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2(24),3,6(14),8,10,12,16,18,20(42),22,26(41),27,29,32(40),33,35,37-heptadecaene-18,28-diamine;18-N,18-N,28-N,28-N,15,21,25,31-octakis-phenyl-7-thia-39-selena-15,21,25,31-tetraza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2(24),3,6(14),8,10,12,16,18,20(42),22,26(41),27,29,32(40),33,35,37-heptadecaene-18,28-diamine is c1ccc(N(c2ccccc2)c2cc3c4c(c2)N(c2ccccc2)c2c(n(-c5ccccc5)c5ccccc25)B4c2cc4c(cc2N3c2ccccc2)N(c2ccccc2)c2cc(N(c3ccccc3)c3ccccc3)cc3c2B4c2c(c4ccccc4n2-c2ccccc2)N3c2ccccc2)cc1.c1ccc(N(c2ccccc2)c2cc3c4c(c2)N(c2ccccc2)c2c(oc5ccccc25)B4c2cc4c(cc2N3c2ccccc2)N(c2ccccc2)c2cc(N(c3ccccc3)c3ccccc3)cc3c2B4c2c(c4ccccc4n2-c2ccccc2)N3c2ccccc2)cc1.c1ccc(N(c2ccccc2)c2cc3c4c(c2)N(c2ccccc2)c2c(oc5ccccc25)B4c2cc4c(cc2N3c2ccccc2)N(c2ccccc2)c2cc(N(c3ccccc3)c3ccccc3)cc3c2B4c2sc4ccccc4c2N3c2ccccc2)cc1.c1ccc(N(c2ccccc2)c2cc3c4c(c2)N(c2ccccc2)c2c(sc5ccccc25)B4c2cc4c(cc2N3c2ccccc2)N(c2ccccc2)c2cc(N(c3ccccc3)c3ccccc3)cc3c2B4c2[se]c4ccccc4c2N3c2ccccc2)cc1.

What is the InChIKey of 18-N,18-N,28-N,28-N,7,15,21,25,31,39-decakis-phenyl-7,15,21,25,31,39-hexaza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2(24),3,6(14),8,10,12,16,18,20(42),22,26(41),27,29,32(40),33,35,37-heptadecaene-18,28-diamine;18-N,18-N,28-N,28-N,15,21,25,31,39-nonakis-phenyl-7-oxa-15,21,25,31,39-pentaza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2,4(22),6(14),8,10,12,16,18,20(42),23,26(41),27,29,32(40),33,35,37-heptadecaene-18,28-diamine;18-N,18-N,28-N,28-N,15,21,25,31-octakis-phenyl-7-oxa-39-thia-15,21,25,31-tetraza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2(24),3,6(14),8,10,12,16,18,20(42),22,26(41),27,29,32(40),33,35,37-heptadecaene-18,28-diamine;18-N,18-N,28-N,28-N,15,21,25,31-octakis-phenyl-7-thia-39-selena-15,21,25,31-tetraza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2(24),3,6(14),8,10,12,16,18,20(42),22,26(41),27,29,32(40),33,35,37-heptadecaene-18,28-diamine?

The InChIKey is RXTFQGZLHURVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C94H64B2N8.C88H59B2N7O.C82H54B2N6OS.C82H54B2N6SSe/c1-11-35-65(36-12-1)97(66-37-13-2-14-38-66)75-59-85-89-87(61-75)101(71-47-23-7-24-48-71)91-77-55-31-33-57-81(77)103(73-51-27-9-28-52-73)93(91)95(89)79-63-80-84(64-83(79)99(85)69-43-19-5-20-44-69)100(70-45-21-6-22-46-70)86-60-76(98(67-39-15-3-16-40-67)68-41-17-4-18-42-68)62-88-90(86)96(80)94-92(102(88)72-49-25-8-26-50-72)78-56-32-34-58-82(78)104(94)74-53-29-10-30-54-74;1-10-32-60(33-11-1)91(61-34-12-2-13-35-61)69-54-78-83-80(56-69)95(66-44-22-7-23-45-66)85-71-50-28-30-52-75(71)97(68-48-26-9-27-49-68)87(85)89(83)73-58-74-77(59-76(73)93(78)64-40-18-5-19-41-64)94(65-42-20-6-21-43-65)79-55-70(92(62-36-14-3-15-37-62)63-38-16-4-17-39-63)57-81-84(79)90(74)88-86(72-51-29-31-53-82(72)98-88)96(81)67-46-24-8-25-47-67;2*1-9-29-55(30-10-1)85(56-31-11-2-12-32-56)63-49-71-77-73(51-63)89(61-41-21-7-22-42-61)79-65-45-25-27-47-75(65)91-81(79)83(77)67-53-68-70(54-69(67)87(71)59-37-17-5-18-38-59)88(60-39-19-6-20-40-60)72-50-64(86(57-33-13-3-14-34-57)58-35-15-4-16-36-58)52-74-78(72)84(68)82-80(66-46-26-28-48-76(66)92-82)90(74)62-43-23-8-24-44-62/h1-64H;1-59H;2*1-54H.

What are the key properties of 18-N,18-N,28-N,28-N,7,15,21,25,31,39-decakis-phenyl-7,15,21,25,31,39-hexaza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2(24),3,6(14),8,10,12,16,18,20(42),22,26(41),27,29,32(40),33,35,37-heptadecaene-18,28-diamine;18-N,18-N,28-N,28-N,15,21,25,31,39-nonakis-phenyl-7-oxa-15,21,25,31,39-pentaza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2,4(22),6(14),8,10,12,16,18,20(42),23,26(41),27,29,32(40),33,35,37-heptadecaene-18,28-diamine;18-N,18-N,28-N,28-N,15,21,25,31-octakis-phenyl-7-oxa-39-thia-15,21,25,31-tetraza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2(24),3,6(14),8,10,12,16,18,20(42),22,26(41),27,29,32(40),33,35,37-heptadecaene-18,28-diamine;18-N,18-N,28-N,28-N,15,21,25,31-octakis-phenyl-7-thia-39-selena-15,21,25,31-tetraza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2(24),3,6(14),8,10,12,16,18,20(42),22,26(41),27,29,32(40),33,35,37-heptadecaene-18,28-diamine?

18-N,18-N,28-N,28-N,7,15,21,25,31,39-decakis-phenyl-7,15,21,25,31,39-hexaza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2(24),3,6(14),8,10,12,16,18,20(42),22,26(41),27,29,32(40),33,35,37-heptadecaene-18,28-diamine;18-N,18-N,28-N,28-N,15,21,25,31,39-nonakis-phenyl-7-oxa-15,21,25,31,39-pentaza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2,4(22),6(14),8,10,12,16,18,20(42),23,26(41),27,29,32(40),33,35,37-heptadecaene-18,28-diamine;18-N,18-N,28-N,28-N,15,21,25,31-octakis-phenyl-7-oxa-39-thia-15,21,25,31-tetraza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2(24),3,6(14),8,10,12,16,18,20(42),22,26(41),27,29,32(40),33,35,37-heptadecaene-18,28-diamine;18-N,18-N,28-N,28-N,15,21,25,31-octakis-phenyl-7-thia-39-selena-15,21,25,31-tetraza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2(24),3,6(14),8,10,12,16,18,20(42),22,26(41),27,29,32(40),33,35,37-heptadecaene-18,28-diamine has a molecular weight of 5028.43 g/mol, XLogP of 77.13, 43 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 18-N,18-N,28-N,28-N,7,15,21,25,31,39-decakis-phenyl-7,15,21,25,31,39-hexaza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2(24),3,6(14),8,10,12,16,18,20(42),22,26(41),27,29,32(40),33,35,37-heptadecaene-18,28-diamine;18-N,18-N,28-N,28-N,15,21,25,31,39-nonakis-phenyl-7-oxa-15,21,25,31,39-pentaza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2,4(22),6(14),8,10,12,16,18,20(42),23,26(41),27,29,32(40),33,35,37-heptadecaene-18,28-diamine;18-N,18-N,28-N,28-N,15,21,25,31-octakis-phenyl-7-oxa-39-thia-15,21,25,31-tetraza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2(24),3,6(14),8,10,12,16,18,20(42),22,26(41),27,29,32(40),33,35,37-heptadecaene-18,28-diamine;18-N,18-N,28-N,28-N,15,21,25,31-octakis-phenyl-7-thia-39-selena-15,21,25,31-tetraza-1,5-diboraundecacyclo[24.14.1.15,16.02,24.04,22.06,14.08,13.030,41.032,40.033,38.020,42]dotetraconta-2(24),3,6(14),8,10,12,16,18,20(42),22,26(41),27,29,32(40),33,35,37-heptadecaene-18,28-diamine is sourced from PubChem (CID 165065741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).