19-methyl-N,N-diphenyl-8,30-dithia-16,22-diaza-1-boraundecacyclo[19.15.1.12,6.122,32.07,15.09,14.017,37.023,31.024,29.016,39.036,38]nonatriaconta-2(39),3,5,7(15),9(14),10,12,17,19,21(37),23(31),24,26,28,32,34,36(38)-heptadecaen-11-amine;19-methyl-N,N,8,30-tetraphenyl-8,16,22,30-tetraza-1-boraundecacyclo[19.15.1.12,6.122,32.07,15.09,14.017,37.023,31.024,29.016,39.036,38]nonatriaconta-2(39),3,5,7(15),9,11,13,17,19,21(37),23(31),24,26,28,32,34,36(38)-heptadecaen-5-amine;19-methyl-N,N,8,30-tetraphenyl-8,16,22,30-tetraza-1-boraundecacyclo[19.15.1.12,6.122,32.07,15.09,14.017,37.023,31.024,29.016,39.036,38]nonatriaconta-2(39),3,5,7(15),9(14),10,12,17,19,21(37),23(31),24,26,28,32,34,36(38)-heptadecaen-11-amine;19-methyl-N,N,30-triphenyl-8-thia-16,22,30-triaza-1-boraundecacyclo[19.15.1.12,6.122,32.07,15.09,14.017,37.023,31.024,29.016,39.036,38]nonatriaconta-2(39),3,5,7(15),9,11,13,17,19,21(37),23(31),24,26,28,32,34,36(38)-heptadecaen-5-amine;19-methyl-N,N,30-triphenyl-8-thia-16,22,30-triaza-1-boraundecacyclo[19.15.1.12,6.122,32.07,15.09,14.017,37.023,31.024,29.016,39.036,38]nonatriaconta-2(39),3,5,7(15),9,11,13,17,19,21(37),23(31),24(29),25,27,32,34,36(38)-heptadecaen-27-amine

C271H170B5N21S4 — CID 164999362

About 19-methyl-N,N-diphenyl-8,30-dithia-16,22-diaza-1-boraundecacyclo[19.15.1.12,6.122,32.07,15.09,14.017,37.023,31.024,29.016,39.036,38]nonatriaconta-2(39),3,5,7(15),9(14),10,12,17,19,21(37),23(31),24,26,28,32,34,36(38)-heptadecaen-11-amine;19-methyl-N,N,8,30-tetraphenyl-8,16,22,30-tetraza-1-boraundecacyclo[19.15.1.12,6.122,32.07,15.09,14.017,37.023,31.024,29.016,39.036,38]nonatriaconta-2(39),3,5,7(15),9,11,13,17,19,21(37),23(31),24,26,28,32,34,36(38)-heptadecaen-5-amine;19-methyl-N,N,8,30-tetraphenyl-8,16,22,30-tetraza-1-boraundecacyclo[19.15.1.12,6.122,32.07,15.09,14.017,37.023,31.024,29.016,39.036,38]nonatriaconta-2(39),3,5,7(15),9(14),10,12,17,19,21(37),23(31),24,26,28,32,34,36(38)-heptadecaen-11-amine;19-methyl-N,N,30-triphenyl-8-thia-16,22,30-triaza-1-boraundecacyclo[19.15.1.12,6.122,32.07,15.09,14.017,37.023,31.024,29.016,39.036,38]nonatriaconta-2(39),3,5,7(15),9,11,13,17,19,21(37),23(31),24,26,28,32,34,36(38)-heptadecaen-5-amine;19-methyl-N,N,30-triphenyl-8-thia-16,22,30-triaza-1-boraundecacyclo[19.15.1.12,6.122,32.07,15.09,14.017,37.023,31.024,29.016,39.036,38]nonatriaconta-2(39),3,5,7(15),9,11,13,17,19,21(37),23(31),24(29),25,27,32,34,36(38)-heptadecaen-27-amine

19-methyl-N,N-diphenyl-8,30-dithia-16,22-diaza-1-boraundecacyclo[19.15.1.12,6.122,32.07,15.09,14.017,37.023,31.024,29.016,39.036,38]nonatriaconta-2(39),3,5,7(15),9(14),10,12,17,19,21(37),23(31),24,26,28,32,34,36(38)-heptadecaen-11-amine;19-methyl-N,N,8,30-tetraphenyl-8,16,22,30-tetraza-1-boraundecacyclo[19.15.1.12,6.122,32.07,15.09,14.017,37.023,31.024,29.016,39.036,38]nonatriaconta-2(39),3,5,7(15),9,11,13,17,19,21(37),23(31),24,26,28,32,34,36(38)-heptadecaen-5-amine;19-methyl-N,N,8,30-tetraphenyl-8,16,22,30-tetraza-1-boraundecacyclo[19.15.1.12,6.122,32.07,15.09,14.017,37.023,31.024,29.016,39.036,38]nonatriaconta-2(39),3,5,7(15),9(14),10,12,17,19,21(37),23(31),24,26,28,32,34,36(38)-heptadecaen-11-amine;19-methyl-N,N,30-triphenyl-8-thia-16,22,30-triaza-1-boraundecacyclo[19.15.1.12,6.122,32.07,15.09,14.017,37.023,31.024,29.016,39.036,38]nonatriaconta-2(39),3,5,7(15),9,11,13,17,19,21(37),23(31),24,26,28,32,34,36(38)-heptadecaen-5-amine;19-methyl-N,N,30-triphenyl-8-thia-16,22,30-triaza-1-boraundecacyclo[19.15.1.12,6.122,32.07,15.09,14.017,37.023,31.024,29.016,39.036,38]nonatriaconta-2(39),3,5,7(15),9,11,13,17,19,21(37),23(31),24(29),25,27,32,34,36(38)-heptadecaen-27-amine (PubChem CID 164999362) has the molecular formula C271H170B5N21S4 and a molecular weight of 3902.82 g/mol. Its IUPAC name is 19-methyl-N,N-diphenyl-8,30-dithia-16,22-diaza-1-boraundecacyclo[19.15.1.12,6.122,32.07,15.09,14.017,37.023,31.024,29.016,39.036,38]nonatriaconta-2(39),3,5,7(15),9(14),10,12,17,19,21(37),23(31),24,26,28,32,34,36(38)-heptadecaen-11-amine;19-methyl-N,N,8,30-tetraphenyl-8,16,22,30-tetraza-1-boraundecacyclo[19.15.1.12,6.122,32.07,15.09,14.017,37.023,31.024,29.016,39.036,38]nonatriaconta-2(39),3,5,7(15),9,11,13,17,19,21(37),23(31),24,26,28,32,34,36(38)-heptadecaen-5-amine;19-methyl-N,N,8,30-tetraphenyl-8,16,22,30-tetraza-1-boraundecacyclo[19.15.1.12,6.122,32.07,15.09,14.017,37.023,31.024,29.016,39.036,38]nonatriaconta-2(39),3,5,7(15),9(14),10,12,17,19,21(37),23(31),24,26,28,32,34,36(38)-heptadecaen-11-amine;19-methyl-N,N,30-triphenyl-8-thia-16,22,30-triaza-1-boraundecacyclo[19.15.1.12,6.122,32.07,15.09,14.017,37.023,31.024,29.016,39.036,38]nonatriaconta-2(39),3,5,7(15),9,11,13,17,19,21(37),23(31),24,26,28,32,34,36(38)-heptadecaen-5-amine;19-methyl-N,N,30-triphenyl-8-thia-16,22,30-triaza-1-boraundecacyclo[19.15.1.12,6.122,32.07,15.09,14.017,37.023,31.024,29.016,39.036,38]nonatriaconta-2(39),3,5,7(15),9,11,13,17,19,21(37),23(31),24(29),25,27,32,34,36(38)-heptadecaen-27-amine.

Molecular Properties

• Compound Name: 19-methyl-N,N-diphenyl-8,30-dithia-16,22-diaza-1-boraundecacyclo[19.15.1.12,6.122,32.07,15.09,14.017,37.023,31.024,29.016,39.036,38]nonatriaconta-2(39),3,5,7(15),9(14),10,12,17,19,21(37),23(31),24,26,28,32,34,36(38)-heptadecaen-11-amine;19-methyl-N,N,8,30-tetraphenyl-8,16,22,30-tetraza-1-boraundecacyclo[19.15.1.12,6.122,32.07,15.09,14.017,37.023,31.024,29.016,39.036,38]nonatriaconta-2(39),3,5,7(15),9,11,13,17,19,21(37),23(31),24,26,28,32,34,36(38)-heptadecaen-5-amine;19-methyl-N,N,8,30-tetraphenyl-8,16,22,30-tetraza-1-boraundecacyclo[19.15.1.12,6.122,32.07,15.09,14.017,37.023,31.024,29.016,39.036,38]nonatriaconta-2(39),3,5,7(15),9(14),10,12,17,19,21(37),23(31),24,26,28,32,34,36(38)-heptadecaen-11-amine;19-methyl-N,N,30-triphenyl-8-thia-16,22,30-triaza-1-boraundecacyclo[19.15.1.12,6.122,32.07,15.09,14.017,37.023,31.024,29.016,39.036,38]nonatriaconta-2(39),3,5,7(15),9,11,13,17,19,21(37),23(31),24,26,28,32,34,36(38)-heptadecaen-5-amine;19-methyl-N,N,30-triphenyl-8-thia-16,22,30-triaza-1-boraundecacyclo[19.15.1.12,6.122,32.07,15.09,14.017,37.023,31.024,29.016,39.036,38]nonatriaconta-2(39),3,5,7(15),9,11,13,17,19,21(37),23(31),24(29),25,27,32,34,36(38)-heptadecaen-27-amine
• PubChem CID: 164999362
• Molecular Formula: C271H170B5N21S4
• Molecular Weight: 3902.82 g/mol
• Exact Mass: 3900.33
• IUPAC Name: 19-methyl-N,N-diphenyl-8,30-dithia-16,22-diaza-1-boraundecacyclo[19.15.1.12,6.122,32.07,15.09,14.017,37.023,31.024,29.016,39.036,38]nonatriaconta-2(39),3,5,7(15),9(14),10,12,17,19,21(37),23(31),24,26,28,32,34,36(38)-heptadecaen-11-amine;19-methyl-N,N,8,30-tetraphenyl-8,16,22,30-tetraza-1-boraundecacyclo[19.15.1.12,6.122,32.07,15.09,14.017,37.023,31.024,29.016,39.036,38]nonatriaconta-2(39),3,5,7(15),9,11,13,17,19,21(37),23(31),24,26,28,32,34,36(38)-heptadecaen-5-amine;19-methyl-N,N,8,30-tetraphenyl-8,16,22,30-tetraza-1-boraundecacyclo[19.15.1.12,6.122,32.07,15.09,14.017,37.023,31.024,29.016,39.036,38]nonatriaconta-2(39),3,5,7(15),9(14),10,12,17,19,21(37),23(31),24,26,28,32,34,36(38)-heptadecaen-11-amine;19-methyl-N,N,30-triphenyl-8-thia-16,22,30-triaza-1-boraundecacyclo[19.15.1.12,6.122,32.07,15.09,14.017,37.023,31.024,29.016,39.036,38]nonatriaconta-2(39),3,5,7(15),9,11,13,17,19,21(37),23(31),24,26,28,32,34,36(38)-heptadecaen-5-amine;19-methyl-N,N,30-triphenyl-8-thia-16,22,30-triaza-1-boraundecacyclo[19.15.1.12,6.122,32.07,15.09,14.017,37.023,31.024,29.016,39.036,38]nonatriaconta-2(39),3,5,7(15),9,11,13,17,19,21(37),23(31),24(29),25,27,32,34,36(38)-heptadecaen-27-amine
• SMILES: Cc1cc2c3c(c1)-n1c4c(ccc(N(c5ccccc5)c5ccccc5)c4c4c1c1ccccc1n4-c1ccccc1)B3c1cccc3c1n-2c1c2ccccc2n(-c2ccccc2)c31.Cc1cc2c3c(c1)-n1c4c(cccc4c4c1c1ccc(N(c5ccccc5)c5ccccc5)cc1n4-c1ccccc1)B3c1cccc3c1n-2c1c2ccccc2n(-c2ccccc2)c31.Cc1cc2c3c(c1)-n1c4c(cccc4c4c1c1ccc(N(c5ccccc5)c5ccccc5)cc1n4-c1ccccc1)B3c1cccc3c4sc5ccccc5c4n-2c13.Cc1cc2c3c(c1)-n1c4c(cccc4c4c1c1ccccc1n4-c1ccccc1)B3c1ccc(N(c3ccccc3)c3ccccc3)c3c4sc5ccccc5c4n-2c13.Cc1cc2c3c(c1)-n1c4c(cccc4c4sc5cc(N(c6ccccc6)c6ccccc6)ccc5c41)B3c1cccc3c4sc5ccccc5c4n-2c13
• InChI: InChI=1S/2C59H38BN5.2C53H33BN4S.C47H28BN3S2/c1-37-35-50-53-51(36-37)65-56-43-28-15-17-32-48(43)63(41-25-12-5-13-26-41)59(56)52-49(61(38-19-6-2-7-20-38)39-21-8-3-9-22-39)34-33-46(58(52)65)60(53)45-30-18-29-44-54(45)64(50)55-42-27-14-16-31-47(42)62(57(44)55)40-23-10-4-11-24-40;1-37-34-51-53-52(35-37)65-55-46(59-57(65)44-33-32-42(36-50(44)63(59)41-24-12-5-13-25-41)61(38-18-6-2-7-19-38)39-20-8-3-9-21-39)28-17-30-48(55)60(53)47-29-16-27-45-54(47)64(51)56-43-26-14-15-31-49(43)62(58(45)56)40-22-10-4-11-23-40;1-32-30-43-47-44(31-32)58-51-37-23-12-14-27-45(37)59-53(51)46-42(55(33-16-5-2-6-17-33)34-18-7-3-8-19-34)29-28-40(52(46)58)54(47)39-25-15-24-38-48(39)57(43)49-36-22-11-13-26-41(36)56(50(38)49)35-20-9-4-10-21-35;1-32-29-44-47-45(30-32)58-49-40(53-52(58)38-21-11-12-26-46(38)59-53)23-14-25-42(49)54(47)41-24-13-22-39-48(41)57(44)50-37-28-27-36(31-43(37)56(51(39)50)35-19-9-4-10-20-35)55(33-15-5-2-6-16-33)34-17-7-3-8-18-34;1-27-24-37-41-38(25-27)51-43-34(47-45(51)32-23-22-30(26-40(32)53-47)49(28-12-4-2-5-13-28)29-14-6-3-7-15-29)18-11-20-36(43)48(41)35-19-10-17-33-42(35)50(37)44-31-16-8-9-21-39(31)52-46(33)44/h2*2-36H,1H3;2*2-31H,1H3;2-26H,1H3
• InChIKey: IACYCRMWEZUZOU-UHFFFAOYSA-N
• XLogP: 60.53
• TPSA: 95.08 Ų
• H-Bond Acceptors: 25
• Rotatable Bonds: 21
• Heavy Atoms: 301
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3902.82
LogP ≤ 5	60.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 19-methyl-N,N-diphenyl-8,30-dithia-16,22-diaza-1-boraundecacyclo[19.15.1.12,6.122,32.07,15.09,14.017,37.023,31.024,29.016,39.036,38]nonatriaconta-2(39),3,5,7(15),9(14),10,12,17,19,21(37),23(31),24,26,28,32,34,36(38)-heptadecaen-11-amine;19-methyl-N,N,8,30-tetraphenyl-8,16,22,30-tetraza-1-boraundecacyclo[19.15.1.12,6.122,32.07,15.09,14.017,37.023,31.024,29.016,39.036,38]nonatriaconta-2(39),3,5,7(15),9,11,13,17,19,21(37),23(31),24,26,28,32,34,36(38)-heptadecaen-5-amine;19-methyl-N,N,8,30-tetraphenyl-8,16,22,30-tetraza-1-boraundecacyclo[19.15.1.12,6.122,32.07,15.09,14.017,37.023,31.024,29.016,39.036,38]nonatriaconta-2(39),3,5,7(15),9(14),10,12,17,19,21(37),23(31),24,26,28,32,34,36(38)-heptadecaen-11-amine;19-methyl-N,N,30-triphenyl-8-thia-16,22,30-triaza-1-boraundecacyclo[19.15.1.12,6.122,32.07,15.09,14.017,37.023,31.024,29.016,39.036,38]nonatriaconta-2(39),3,5,7(15),9,11,13,17,19,21(37),23(31),24,26,28,32,34,36(38)-heptadecaen-5-amine;19-methyl-N,N,30-triphenyl-8-thia-16,22,30-triaza-1-boraundecacyclo[19.15.1.12,6.122,32.07,15.09,14.017,37.023,31.024,29.016,39.036,38]nonatriaconta-2(39),3,5,7(15),9,11,13,17,19,21(37),23(31),24(29),25,27,32,34,36(38)-heptadecaen-27-amine?

The IUPAC name of 19-methyl-N,N-diphenyl-8,30-dithia-16,22-diaza-1-boraundecacyclo[19.15.1.12,6.122,32.07,15.09,14.017,37.023,31.024,29.016,39.036,38]nonatriaconta-2(39),3,5,7(15),9(14),10,12,17,19,21(37),23(31),24,26,28,32,34,36(38)-heptadecaen-11-amine;19-methyl-N,N,8,30-tetraphenyl-8,16,22,30-tetraza-1-boraundecacyclo[19.15.1.12,6.122,32.07,15.09,14.017,37.023,31.024,29.016,39.036,38]nonatriaconta-2(39),3,5,7(15),9,11,13,17,19,21(37),23(31),24,26,28,32,34,36(38)-heptadecaen-5-amine;19-methyl-N,N,8,30-tetraphenyl-8,16,22,30-tetraza-1-boraundecacyclo[19.15.1.12,6.122,32.07,15.09,14.017,37.023,31.024,29.016,39.036,38]nonatriaconta-2(39),3,5,7(15),9(14),10,12,17,19,21(37),23(31),24,26,28,32,34,36(38)-heptadecaen-11-amine;19-methyl-N,N,30-triphenyl-8-thia-16,22,30-triaza-1-boraundecacyclo[19.15.1.12,6.122,32.07,15.09,14.017,37.023,31.024,29.016,39.036,38]nonatriaconta-2(39),3,5,7(15),9,11,13,17,19,21(37),23(31),24,26,28,32,34,36(38)-heptadecaen-5-amine;19-methyl-N,N,30-triphenyl-8-thia-16,22,30-triaza-1-boraundecacyclo[19.15.1.12,6.122,32.07,15.09,14.017,37.023,31.024,29.016,39.036,38]nonatriaconta-2(39),3,5,7(15),9,11,13,17,19,21(37),23(31),24(29),25,27,32,34,36(38)-heptadecaen-27-amine (CID 164999362) is 19-methyl-N,N-diphenyl-8,30-dithia-16,22-diaza-1-boraundecacyclo[19.15.1.12,6.122,32.07,15.09,14.017,37.023,31.024,29.016,39.036,38]nonatriaconta-2(39),3,5,7(15),9(14),10,12,17,19,21(37),23(31),24,26,28,32,34,36(38)-heptadecaen-11-amine;19-methyl-N,N,8,30-tetraphenyl-8,16,22,30-tetraza-1-boraundecacyclo[19.15.1.12,6.122,32.07,15.09,14.017,37.023,31.024,29.016,39.036,38]nonatriaconta-2(39),3,5,7(15),9,11,13,17,19,21(37),23(31),24,26,28,32,34,36(38)-heptadecaen-5-amine;19-methyl-N,N,8,30-tetraphenyl-8,16,22,30-tetraza-1-boraundecacyclo[19.15.1.12,6.122,32.07,15.09,14.017,37.023,31.024,29.016,39.036,38]nonatriaconta-2(39),3,5,7(15),9(14),10,12,17,19,21(37),23(31),24,26,28,32,34,36(38)-heptadecaen-11-amine;19-methyl-N,N,30-triphenyl-8-thia-16,22,30-triaza-1-boraundecacyclo[19.15.1.12,6.122,32.07,15.09,14.017,37.023,31.024,29.016,39.036,38]nonatriaconta-2(39),3,5,7(15),9,11,13,17,19,21(37),23(31),24,26,28,32,34,36(38)-heptadecaen-5-amine;19-methyl-N,N,30-triphenyl-8-thia-16,22,30-triaza-1-boraundecacyclo[19.15.1.12,6.122,32.07,15.09,14.017,37.023,31.024,29.016,39.036,38]nonatriaconta-2(39),3,5,7(15),9,11,13,17,19,21(37),23(31),24(29),25,27,32,34,36(38)-heptadecaen-27-amine.

What is the SMILES notation for 19-methyl-N,N-diphenyl-8,30-dithia-16,22-diaza-1-boraundecacyclo[19.15.1.12,6.122,32.07,15.09,14.017,37.023,31.024,29.016,39.036,38]nonatriaconta-2(39),3,5,7(15),9(14),10,12,17,19,21(37),23(31),24,26,28,32,34,36(38)-heptadecaen-11-amine;19-methyl-N,N,8,30-tetraphenyl-8,16,22,30-tetraza-1-boraundecacyclo[19.15.1.12,6.122,32.07,15.09,14.017,37.023,31.024,29.016,39.036,38]nonatriaconta-2(39),3,5,7(15),9,11,13,17,19,21(37),23(31),24,26,28,32,34,36(38)-heptadecaen-5-amine;19-methyl-N,N,8,30-tetraphenyl-8,16,22,30-tetraza-1-boraundecacyclo[19.15.1.12,6.122,32.07,15.09,14.017,37.023,31.024,29.016,39.036,38]nonatriaconta-2(39),3,5,7(15),9(14),10,12,17,19,21(37),23(31),24,26,28,32,34,36(38)-heptadecaen-11-amine;19-methyl-N,N,30-triphenyl-8-thia-16,22,30-triaza-1-boraundecacyclo[19.15.1.12,6.122,32.07,15.09,14.017,37.023,31.024,29.016,39.036,38]nonatriaconta-2(39),3,5,7(15),9,11,13,17,19,21(37),23(31),24,26,28,32,34,36(38)-heptadecaen-5-amine;19-methyl-N,N,30-triphenyl-8-thia-16,22,30-triaza-1-boraundecacyclo[19.15.1.12,6.122,32.07,15.09,14.017,37.023,31.024,29.016,39.036,38]nonatriaconta-2(39),3,5,7(15),9,11,13,17,19,21(37),23(31),24(29),25,27,32,34,36(38)-heptadecaen-27-amine?

The canonical SMILES for 19-methyl-N,N-diphenyl-8,30-dithia-16,22-diaza-1-boraundecacyclo[19.15.1.12,6.122,32.07,15.09,14.017,37.023,31.024,29.016,39.036,38]nonatriaconta-2(39),3,5,7(15),9(14),10,12,17,19,21(37),23(31),24,26,28,32,34,36(38)-heptadecaen-11-amine;19-methyl-N,N,8,30-tetraphenyl-8,16,22,30-tetraza-1-boraundecacyclo[19.15.1.12,6.122,32.07,15.09,14.017,37.023,31.024,29.016,39.036,38]nonatriaconta-2(39),3,5,7(15),9,11,13,17,19,21(37),23(31),24,26,28,32,34,36(38)-heptadecaen-5-amine;19-methyl-N,N,8,30-tetraphenyl-8,16,22,30-tetraza-1-boraundecacyclo[19.15.1.12,6.122,32.07,15.09,14.017,37.023,31.024,29.016,39.036,38]nonatriaconta-2(39),3,5,7(15),9(14),10,12,17,19,21(37),23(31),24,26,28,32,34,36(38)-heptadecaen-11-amine;19-methyl-N,N,30-triphenyl-8-thia-16,22,30-triaza-1-boraundecacyclo[19.15.1.12,6.122,32.07,15.09,14.017,37.023,31.024,29.016,39.036,38]nonatriaconta-2(39),3,5,7(15),9,11,13,17,19,21(37),23(31),24,26,28,32,34,36(38)-heptadecaen-5-amine;19-methyl-N,N,30-triphenyl-8-thia-16,22,30-triaza-1-boraundecacyclo[19.15.1.12,6.122,32.07,15.09,14.017,37.023,31.024,29.016,39.036,38]nonatriaconta-2(39),3,5,7(15),9,11,13,17,19,21(37),23(31),24(29),25,27,32,34,36(38)-heptadecaen-27-amine is Cc1cc2c3c(c1)-n1c4c(ccc(N(c5ccccc5)c5ccccc5)c4c4c1c1ccccc1n4-c1ccccc1)B3c1cccc3c1n-2c1c2ccccc2n(-c2ccccc2)c31.Cc1cc2c3c(c1)-n1c4c(cccc4c4c1c1ccc(N(c5ccccc5)c5ccccc5)cc1n4-c1ccccc1)B3c1cccc3c1n-2c1c2ccccc2n(-c2ccccc2)c31.Cc1cc2c3c(c1)-n1c4c(cccc4c4c1c1ccc(N(c5ccccc5)c5ccccc5)cc1n4-c1ccccc1)B3c1cccc3c4sc5ccccc5c4n-2c13.Cc1cc2c3c(c1)-n1c4c(cccc4c4c1c1ccccc1n4-c1ccccc1)B3c1ccc(N(c3ccccc3)c3ccccc3)c3c4sc5ccccc5c4n-2c13.Cc1cc2c3c(c1)-n1c4c(cccc4c4sc5cc(N(c6ccccc6)c6ccccc6)ccc5c41)B3c1cccc3c4sc5ccccc5c4n-2c13.

What is the InChIKey of 19-methyl-N,N-diphenyl-8,30-dithia-16,22-diaza-1-boraundecacyclo[19.15.1.12,6.122,32.07,15.09,14.017,37.023,31.024,29.016,39.036,38]nonatriaconta-2(39),3,5,7(15),9(14),10,12,17,19,21(37),23(31),24,26,28,32,34,36(38)-heptadecaen-11-amine;19-methyl-N,N,8,30-tetraphenyl-8,16,22,30-tetraza-1-boraundecacyclo[19.15.1.12,6.122,32.07,15.09,14.017,37.023,31.024,29.016,39.036,38]nonatriaconta-2(39),3,5,7(15),9,11,13,17,19,21(37),23(31),24,26,28,32,34,36(38)-heptadecaen-5-amine;19-methyl-N,N,8,30-tetraphenyl-8,16,22,30-tetraza-1-boraundecacyclo[19.15.1.12,6.122,32.07,15.09,14.017,37.023,31.024,29.016,39.036,38]nonatriaconta-2(39),3,5,7(15),9(14),10,12,17,19,21(37),23(31),24,26,28,32,34,36(38)-heptadecaen-11-amine;19-methyl-N,N,30-triphenyl-8-thia-16,22,30-triaza-1-boraundecacyclo[19.15.1.12,6.122,32.07,15.09,14.017,37.023,31.024,29.016,39.036,38]nonatriaconta-2(39),3,5,7(15),9,11,13,17,19,21(37),23(31),24,26,28,32,34,36(38)-heptadecaen-5-amine;19-methyl-N,N,30-triphenyl-8-thia-16,22,30-triaza-1-boraundecacyclo[19.15.1.12,6.122,32.07,15.09,14.017,37.023,31.024,29.016,39.036,38]nonatriaconta-2(39),3,5,7(15),9,11,13,17,19,21(37),23(31),24(29),25,27,32,34,36(38)-heptadecaen-27-amine?

The InChIKey is IACYCRMWEZUZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C59H38BN5.2C53H33BN4S.C47H28BN3S2/c1-37-35-50-53-51(36-37)65-56-43-28-15-17-32-48(43)63(41-25-12-5-13-26-41)59(56)52-49(61(38-19-6-2-7-20-38)39-21-8-3-9-22-39)34-33-46(58(52)65)60(53)45-30-18-29-44-54(45)64(50)55-42-27-14-16-31-47(42)62(57(44)55)40-23-10-4-11-24-40;1-37-34-51-53-52(35-37)65-55-46(59-57(65)44-33-32-42(36-50(44)63(59)41-24-12-5-13-25-41)61(38-18-6-2-7-19-38)39-20-8-3-9-21-39)28-17-30-48(55)60(53)47-29-16-27-45-54(47)64(51)56-43-26-14-15-31-49(43)62(58(45)56)40-22-10-4-11-23-40;1-32-30-43-47-44(31-32)58-51-37-23-12-14-27-45(37)59-53(51)46-42(55(33-16-5-2-6-17-33)34-18-7-3-8-19-34)29-28-40(52(46)58)54(47)39-25-15-24-38-48(39)57(43)49-36-22-11-13-26-41(36)56(50(38)49)35-20-9-4-10-21-35;1-32-29-44-47-45(30-32)58-49-40(53-52(58)38-21-11-12-26-46(38)59-53)23-14-25-42(49)54(47)41-24-13-22-39-48(41)57(44)50-37-28-27-36(31-43(37)56(51(39)50)35-19-9-4-10-20-35)55(33-15-5-2-6-16-33)34-17-7-3-8-18-34;1-27-24-37-41-38(25-27)51-43-34(47-45(51)32-23-22-30(26-40(32)53-47)49(28-12-4-2-5-13-28)29-14-6-3-7-15-29)18-11-20-36(43)48(41)35-19-10-17-33-42(35)50(37)44-31-16-8-9-21-39(31)52-46(33)44/h2*2-36H,1H3;2*2-31H,1H3;2-26H,1H3.

What are the key properties of 19-methyl-N,N-diphenyl-8,30-dithia-16,22-diaza-1-boraundecacyclo[19.15.1.12,6.122,32.07,15.09,14.017,37.023,31.024,29.016,39.036,38]nonatriaconta-2(39),3,5,7(15),9(14),10,12,17,19,21(37),23(31),24,26,28,32,34,36(38)-heptadecaen-11-amine;19-methyl-N,N,8,30-tetraphenyl-8,16,22,30-tetraza-1-boraundecacyclo[19.15.1.12,6.122,32.07,15.09,14.017,37.023,31.024,29.016,39.036,38]nonatriaconta-2(39),3,5,7(15),9,11,13,17,19,21(37),23(31),24,26,28,32,34,36(38)-heptadecaen-5-amine;19-methyl-N,N,8,30-tetraphenyl-8,16,22,30-tetraza-1-boraundecacyclo[19.15.1.12,6.122,32.07,15.09,14.017,37.023,31.024,29.016,39.036,38]nonatriaconta-2(39),3,5,7(15),9(14),10,12,17,19,21(37),23(31),24,26,28,32,34,36(38)-heptadecaen-11-amine;19-methyl-N,N,30-triphenyl-8-thia-16,22,30-triaza-1-boraundecacyclo[19.15.1.12,6.122,32.07,15.09,14.017,37.023,31.024,29.016,39.036,38]nonatriaconta-2(39),3,5,7(15),9,11,13,17,19,21(37),23(31),24,26,28,32,34,36(38)-heptadecaen-5-amine;19-methyl-N,N,30-triphenyl-8-thia-16,22,30-triaza-1-boraundecacyclo[19.15.1.12,6.122,32.07,15.09,14.017,37.023,31.024,29.016,39.036,38]nonatriaconta-2(39),3,5,7(15),9,11,13,17,19,21(37),23(31),24(29),25,27,32,34,36(38)-heptadecaen-27-amine?

19-methyl-N,N-diphenyl-8,30-dithia-16,22-diaza-1-boraundecacyclo[19.15.1.12,6.122,32.07,15.09,14.017,37.023,31.024,29.016,39.036,38]nonatriaconta-2(39),3,5,7(15),9(14),10,12,17,19,21(37),23(31),24,26,28,32,34,36(38)-heptadecaen-11-amine;19-methyl-N,N,8,30-tetraphenyl-8,16,22,30-tetraza-1-boraundecacyclo[19.15.1.12,6.122,32.07,15.09,14.017,37.023,31.024,29.016,39.036,38]nonatriaconta-2(39),3,5,7(15),9,11,13,17,19,21(37),23(31),24,26,28,32,34,36(38)-heptadecaen-5-amine;19-methyl-N,N,8,30-tetraphenyl-8,16,22,30-tetraza-1-boraundecacyclo[19.15.1.12,6.122,32.07,15.09,14.017,37.023,31.024,29.016,39.036,38]nonatriaconta-2(39),3,5,7(15),9(14),10,12,17,19,21(37),23(31),24,26,28,32,34,36(38)-heptadecaen-11-amine;19-methyl-N,N,30-triphenyl-8-thia-16,22,30-triaza-1-boraundecacyclo[19.15.1.12,6.122,32.07,15.09,14.017,37.023,31.024,29.016,39.036,38]nonatriaconta-2(39),3,5,7(15),9,11,13,17,19,21(37),23(31),24,26,28,32,34,36(38)-heptadecaen-5-amine;19-methyl-N,N,30-triphenyl-8-thia-16,22,30-triaza-1-boraundecacyclo[19.15.1.12,6.122,32.07,15.09,14.017,37.023,31.024,29.016,39.036,38]nonatriaconta-2(39),3,5,7(15),9,11,13,17,19,21(37),23(31),24(29),25,27,32,34,36(38)-heptadecaen-27-amine has a molecular weight of 3902.82 g/mol, XLogP of 60.53, 21 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 19-methyl-N,N-diphenyl-8,30-dithia-16,22-diaza-1-boraundecacyclo[19.15.1.12,6.122,32.07,15.09,14.017,37.023,31.024,29.016,39.036,38]nonatriaconta-2(39),3,5,7(15),9(14),10,12,17,19,21(37),23(31),24,26,28,32,34,36(38)-heptadecaen-11-amine;19-methyl-N,N,8,30-tetraphenyl-8,16,22,30-tetraza-1-boraundecacyclo[19.15.1.12,6.122,32.07,15.09,14.017,37.023,31.024,29.016,39.036,38]nonatriaconta-2(39),3,5,7(15),9,11,13,17,19,21(37),23(31),24,26,28,32,34,36(38)-heptadecaen-5-amine;19-methyl-N,N,8,30-tetraphenyl-8,16,22,30-tetraza-1-boraundecacyclo[19.15.1.12,6.122,32.07,15.09,14.017,37.023,31.024,29.016,39.036,38]nonatriaconta-2(39),3,5,7(15),9(14),10,12,17,19,21(37),23(31),24,26,28,32,34,36(38)-heptadecaen-11-amine;19-methyl-N,N,30-triphenyl-8-thia-16,22,30-triaza-1-boraundecacyclo[19.15.1.12,6.122,32.07,15.09,14.017,37.023,31.024,29.016,39.036,38]nonatriaconta-2(39),3,5,7(15),9,11,13,17,19,21(37),23(31),24,26,28,32,34,36(38)-heptadecaen-5-amine;19-methyl-N,N,30-triphenyl-8-thia-16,22,30-triaza-1-boraundecacyclo[19.15.1.12,6.122,32.07,15.09,14.017,37.023,31.024,29.016,39.036,38]nonatriaconta-2(39),3,5,7(15),9,11,13,17,19,21(37),23(31),24(29),25,27,32,34,36(38)-heptadecaen-27-amine is sourced from PubChem (CID 164999362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).