22-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-7,8,9,10,30,31,32,33-octadeuterio-20-fluoro-15-N,15-N,25-N,25-N,12,28-hexakis(2,3,4,5,6-pentadeuteriophenyl)-18-thia-12,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;7,8,9,10,30,31,32,33-octadeuterio-22-(2,4-difluorophenyl)-15-N,15-N,25-N,25-N,12,28-hexakis(2,3,4,5,6-pentadeuteriophenyl)-18-thia-12,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;7,8,9,10,30,31,32,33-octadeuterio-22-(2,6-difluorophenyl)-15-N,15-N,25-N,25-N,12,28-hexakis(2,3,4,5,6-pentadeuteriophenyl)-18-thia-12,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine

C228H150B6F5N15S3 — CID 164978375

IUPAC22-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-7,8,9,10,30,31,32,33-octadeuterio-20-fluoro-15-N,15-N,25-N,25-N,12,28-hexakis(2,3,4,5,6-pentadeuteriophenyl)-18-thia-12,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;7,8,9,10,30,31,32,33-octadeuterio-22-(2,4-difluorophenyl)-15-N,15-N,25-N,25-N,12,28-hexakis(2,3,4,5,6-pentadeuteriophenyl)-18-thia-12,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;7,8,9,10,30,31,32,33-octadeuterio-22-(2,6-difluorophenyl)-15-N,15-N,25-N,25-N,12,28-hexakis(2,3,4,5,6-pentadeuteriophenyl)-18-thia-12,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine
SMILES[2H]c1c([2H])c([2H])c(-c2cccc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2N2c3cc(N(c4c([2H])c([2H])c([2H])c([2H])c4[2H])c4c([2H])c([2H])c([2H])c([2H])c4[2H])cc4c3B(c3cc5c(c(F)c32)Sc2cc(N(c3c([2H])c([2H])c([2H])c([2H])c3[2H])c3c([2H])c([2H])c([2H])c([2H])c3[2H])cc3c2B5c2c([2H])c([2H])c([2H])c([2H])c2N3c2c([2H])c([2H])c([2H])c([2H])c2[2H])c2c([2H])c([2H])c([2H])c([2H])c2N4c2c([2H])c([2H])c([2H])c([2H])c2[2H])c([2H])c1[2H].[2H]c1c([2H])c([2H])c(N(c2cc3c4c(c2)N(c2c([2H])c([2H])c([2H])c([2H])c2[2H])c2c([2H])c([2H])c([2H])c([2H])c2B4c2cc4c(cc2S3)N(c2c(F)cccc2F)c2cc(N(c3c([2H])c([2H])c([2H])c([2H])c3[2H])c3c([2H])c([2H])c([2H])c([2H])c3[2H])cc3c2B4c2c([2H])c([2H])c([2H])c([2H])c2N3c2c([2H])c([2H])c([2H])c([2H])c2[2H])c2c([2H])c([2H])c([2H])c([2H])c2[2H])c([2H])c1[2H].[2H]c1c([2H])c([2H])c(N(c2cc3c4c(c2)N(c2c([2H])c([2H])c([2H])c([2H])c2[2H])c2c([2H])c([2H])c([2H])c([2H])c2B4c2cc4c(cc2S3)N(c2ccc(F)cc2F)c2cc(N(c3c([2H])c([2H])c([2H])c([2H])c3[2H])c3c([2H])c([2H])c([2H])c([2H])c3[2H])cc3c2B4c2c([2H])c([2H])c([2H])c([2H])c2N3c2c([2H])c([2H])c([2H])c([2H])c2[2H])c2c([2H])c([2H])c([2H])c([2H])c2[2H])c([2H])c1[2H]
InChIInChI=1S/C84H56B2FN5S.2C72H47B2F2N5S/c87-81-83-71(56-72-84(81)93-78-55-66(89(61-38-17-5-18-39-61)62-40-19-6-20-41-62)54-77-80(78)86(72)70-49-26-28-51-74(70)91(77)64-44-23-8-24-45-64)85-69-48-25-27-50-73(69)90(63-42-21-7-22-43-63)75-52-65(88(59-34-13-3-14-35-59)60-36-15-4-16-37-60)53-76(79(75)85)92(83)82-67(57-30-9-1-10-31-57)46-29-47-68(82)58-32-11-2-12-33-58;75-60-38-23-39-61(76)72(60)81-64-47-68-59(74-57-37-20-22-41-63(57)80(53-34-17-6-18-35-53)67-44-55(45-69(82-68)71(67)74)78(50-28-11-3-12-29-50)51-30-13-4-14-31-51)46-58(64)73-56-36-19-21-40-62(56)79(52-32-15-5-16-33-52)65-42-54(43-66(81)70(65)73)77(48-24-7-1-8-25-48)49-26-9-2-10-27-49;75-48-39-40-64(61(76)41-48)81-65-47-69-60(74-58-36-20-22-38-63(58)80(54-33-17-6-18-34-54)68-44-56(45-70(82-69)72(68)74)78(51-27-11-3-12-28-51)52-29-13-4-14-30-52)46-59(65)73-57-35-19-21-37-62(57)79(53-31-15-5-16-32-53)66-42-55(43-67(81)71(66)73)77(49-23-7-1-8-24-49)50-25-9-2-10-26-50/h1-56H;2*1-47H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D,23D,24D,25D,26D,27D,28D,30D,31D,32D,33D,34D,35D,36D,37D,38D,39D,40D,41D,42D,43D,44D,45D,48D,49D,50D,51D;1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D,24D,25D,26D,27D,28D,29D,30D,31D,32D,33D,34D,35D,36D,37D,40D,41D;1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D,23D,24D,25D,26D,27D,28D,29D,30D,31D,32D,33D,34D,35D,36D,37D,38D
InChIKeyFCQGTXVQEXQZMC-FJZQNGHYSA-N
MW3480.63 g/mol
LogP50.45
Rot. Bonds29

About 22-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-7,8,9,10,30,31,32,33-octadeuterio-20-fluoro-15-N,15-N,25-N,25-N,12,28-hexakis(2,3,4,5,6-pentadeuteriophenyl)-18-thia-12,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;7,8,9,10,30,31,32,33-octadeuterio-22-(2,4-difluorophenyl)-15-N,15-N,25-N,25-N,12,28-hexakis(2,3,4,5,6-pentadeuteriophenyl)-18-thia-12,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;7,8,9,10,30,31,32,33-octadeuterio-22-(2,6-difluorophenyl)-15-N,15-N,25-N,25-N,12,28-hexakis(2,3,4,5,6-pentadeuteriophenyl)-18-thia-12,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine

22-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-7,8,9,10,30,31,32,33-octadeuterio-20-fluoro-15-N,15-N,25-N,25-N,12,28-hexakis(2,3,4,5,6-pentadeuteriophenyl)-18-thia-12,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;7,8,9,10,30,31,32,33-octadeuterio-22-(2,4-difluorophenyl)-15-N,15-N,25-N,25-N,12,28-hexakis(2,3,4,5,6-pentadeuteriophenyl)-18-thia-12,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;7,8,9,10,30,31,32,33-octadeuterio-22-(2,6-difluorophenyl)-15-N,15-N,25-N,25-N,12,28-hexakis(2,3,4,5,6-pentadeuteriophenyl)-18-thia-12,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine (PubChem CID 164978375) has the molecular formula C228H150B6F5N15S3 and a molecular weight of 3480.63 g/mol. Its IUPAC name is 22-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-7,8,9,10,30,31,32,33-octadeuterio-20-fluoro-15-N,15-N,25-N,25-N,12,28-hexakis(2,3,4,5,6-pentadeuteriophenyl)-18-thia-12,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;7,8,9,10,30,31,32,33-octadeuterio-22-(2,4-difluorophenyl)-15-N,15-N,25-N,25-N,12,28-hexakis(2,3,4,5,6-pentadeuteriophenyl)-18-thia-12,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;7,8,9,10,30,31,32,33-octadeuterio-22-(2,6-difluorophenyl)-15-N,15-N,25-N,25-N,12,28-hexakis(2,3,4,5,6-pentadeuteriophenyl)-18-thia-12,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine.

Molecular Properties

Compound Name22-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-7,8,9,10,30,31,32,33-octadeuterio-20-fluoro-15-N,15-N,25-N,25-N,12,28-hexakis(2,3,4,5,6-pentadeuteriophenyl)-18-thia-12,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;7,8,9,10,30,31,32,33-octadeuterio-22-(2,4-difluorophenyl)-15-N,15-N,25-N,25-N,12,28-hexakis(2,3,4,5,6-pentadeuteriophenyl)-18-thia-12,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;7,8,9,10,30,31,32,33-octadeuterio-22-(2,6-difluorophenyl)-15-N,15-N,25-N,25-N,12,28-hexakis(2,3,4,5,6-pentadeuteriophenyl)-18-thia-12,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine
PubChem CID164978375
Molecular FormulaC228H150B6F5N15S3
Molecular Weight3480.63 g/mol
Exact Mass3478.96
IUPAC Name22-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-7,8,9,10,30,31,32,33-octadeuterio-20-fluoro-15-N,15-N,25-N,25-N,12,28-hexakis(2,3,4,5,6-pentadeuteriophenyl)-18-thia-12,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;7,8,9,10,30,31,32,33-octadeuterio-22-(2,4-difluorophenyl)-15-N,15-N,25-N,25-N,12,28-hexakis(2,3,4,5,6-pentadeuteriophenyl)-18-thia-12,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;7,8,9,10,30,31,32,33-octadeuterio-22-(2,6-difluorophenyl)-15-N,15-N,25-N,25-N,12,28-hexakis(2,3,4,5,6-pentadeuteriophenyl)-18-thia-12,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine
SMILES[2H]c1c([2H])c([2H])c(-c2cccc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2N2c3cc(N(c4c([2H])c([2H])c([2H])c([2H])c4[2H])c4c([2H])c([2H])c([2H])c([2H])c4[2H])cc4c3B(c3cc5c(c(F)c32)Sc2cc(N(c3c([2H])c([2H])c([2H])c([2H])c3[2H])c3c([2H])c([2H])c([2H])c([2H])c3[2H])cc3c2B5c2c([2H])c([2H])c([2H])c([2H])c2N3c2c([2H])c([2H])c([2H])c([2H])c2[2H])c2c([2H])c([2H])c([2H])c([2H])c2N4c2c([2H])c([2H])c([2H])c([2H])c2[2H])c([2H])c1[2H].[2H]c1c([2H])c([2H])c(N(c2cc3c4c(c2)N(c2c([2H])c([2H])c([2H])c([2H])c2[2H])c2c([2H])c([2H])c([2H])c([2H])c2B4c2cc4c(cc2S3)N(c2c(F)cccc2F)c2cc(N(c3c([2H])c([2H])c([2H])c([2H])c3[2H])c3c([2H])c([2H])c([2H])c([2H])c3[2H])cc3c2B4c2c([2H])c([2H])c([2H])c([2H])c2N3c2c([2H])c([2H])c([2H])c([2H])c2[2H])c2c([2H])c([2H])c([2H])c([2H])c2[2H])c([2H])c1[2H].[2H]c1c([2H])c([2H])c(N(c2cc3c4c(c2)N(c2c([2H])c([2H])c([2H])c([2H])c2[2H])c2c([2H])c([2H])c([2H])c([2H])c2B4c2cc4c(cc2S3)N(c2ccc(F)cc2F)c2cc(N(c3c([2H])c([2H])c([2H])c([2H])c3[2H])c3c([2H])c([2H])c([2H])c([2H])c3[2H])cc3c2B4c2c([2H])c([2H])c([2H])c([2H])c2N3c2c([2H])c([2H])c([2H])c([2H])c2[2H])c2c([2H])c([2H])c([2H])c([2H])c2[2H])c([2H])c1[2H]
InChIInChI=1S/C84H56B2FN5S.2C72H47B2F2N5S/c87-81-83-71(56-72-84(81)93-78-55-66(89(61-38-17-5-18-39-61)62-40-19-6-20-41-62)54-77-80(78)86(72)70-49-26-28-51-74(70)91(77)64-44-23-8-24-45-64)85-69-48-25-27-50-73(69)90(63-42-21-7-22-43-63)75-52-65(88(59-34-13-3-14-35-59)60-36-15-4-16-37-60)53-76(79(75)85)92(83)82-67(57-30-9-1-10-31-57)46-29-47-68(82)58-32-11-2-12-33-58;75-60-38-23-39-61(76)72(60)81-64-47-68-59(74-57-37-20-22-41-63(57)80(53-34-17-6-18-35-53)67-44-55(45-69(82-68)71(67)74)78(50-28-11-3-12-29-50)51-30-13-4-14-31-51)46-58(64)73-56-36-19-21-40-62(56)79(52-32-15-5-16-33-52)65-42-54(43-66(81)70(65)73)77(48-24-7-1-8-25-48)49-26-9-2-10-27-49;75-48-39-40-64(61(76)41-48)81-65-47-69-60(74-58-36-20-22-38-63(58)80(54-33-17-6-18-34-54)68-44-56(45-70(82-69)72(68)74)78(51-27-11-3-12-28-51)52-29-13-4-14-30-52)46-59(65)73-57-35-19-21-37-62(57)79(53-31-15-5-16-32-53)66-42-55(43-67(81)71(66)73)77(49-23-7-1-8-24-49)50-25-9-2-10-26-50/h1-56H;2*1-47H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D,23D,24D,25D,26D,27D,28D,30D,31D,32D,33D,34D,35D,36D,37D,38D,39D,40D,41D,42D,43D,44D,45D,48D,49D,50D,51D;1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D,24D,25D,26D,27D,28D,29D,30D,31D,32D,33D,34D,35D,36D,37D,40D,41D;1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D,23D,24D,25D,26D,27D,28D,29D,30D,31D,32D,33D,34D,35D,36D,37D,38D
InChIKeyFCQGTXVQEXQZMC-FJZQNGHYSA-N
XLogP50.45
TPSA48.60 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds29
Heavy Atoms257
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003480.63
LogP ≤ 550.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 22-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-7,8,9,10,30,31,32,33-octadeuterio-20-fluoro-15-N,15-N,25-N,25-N,12,28-hexakis(2,3,4,5,6-pentadeuteriophenyl)-18-thia-12,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;7,8,9,10,30,31,32,33-octadeuterio-22-(2,4-difluorophenyl)-15-N,15-N,25-N,25-N,12,28-hexakis(2,3,4,5,6-pentadeuteriophenyl)-18-thia-12,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;7,8,9,10,30,31,32,33-octadeuterio-22-(2,6-difluorophenyl)-15-N,15-N,25-N,25-N,12,28-hexakis(2,3,4,5,6-pentadeuteriophenyl)-18-thia-12,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine with MolForge

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Related Compounds

22-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-7,8,9,10,30,31,32,33-octadeuterio-15-N,15-N,25-N,25-N,12,28-hexakis(2,3,4,5,6-pentadeuteriophenyl)-18-thia-12,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;22-[2-(4-tert-butylphenyl)phenyl]-7,8,9,10,30,31,32,33-octadeuterio-15-N,15-N,25-N,25-N,12,28-hexakis(2,3,4,5,6-pentadeuteriophenyl)-18-thia-12,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;7,8,9,10,30,31,32,33-octadeuterio-15-N,15-N,25-N,25-N,12,28-hexakis(2,3,4,5,6-pentadeuteriophenyl)-22-(2-phenylphenyl)-18-thia-12,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine
CID 167611508
22-(2,4-difluorophenyl)-20-fluoro-25-N,25-N,12,28-tetraphenyl-15-N-(3-phenylphenyl)-15-N-(4-phenylphenyl)-18-thia-12,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;22-(2,6-difluorophenyl)-20-fluoro-25-N,25-N,12,28-tetraphenyl-15-N-(3-phenylphenyl)-15-N-(4-phenylphenyl)-18-thia-12,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;20-fluoro-22-(2-fluorophenyl)-25-N,25-N,12,28-tetraphenyl-15-N-(3-phenylphenyl)-15-N-(4-phenylphenyl)-18-thia-12,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine
CID 165109299
22-(2,4-difluoro-6-phenylphenyl)-25-N,25-N,12,28-tetraphenyl-15-N,15-N-bis(4-phenylphenyl)-20-(trifluoromethyl)-18-thia-12,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;22-(2,4-difluorophenyl)-25-N,25-N,12,28-tetraphenyl-15-N,15-N-bis(4-phenylphenyl)-20-(trifluoromethyl)-18-thia-12,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;22-(2-fluoro-6-phenylphenyl)-25-N,25-N,12,28-tetraphenyl-15-N,15-N-bis(4-phenylphenyl)-20-(trifluoromethyl)-18-thia-12,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine
CID 165011018
22-(2,4-difluoro-6-phenylphenyl)-25-N,28-bis(2,6-diphenylphenyl)-15-N,15-N,25-N,12-tetraphenyl-18-thia-12,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;22-(2,4-difluoro-6-phenylphenyl)-15-N,25-N,12,28-tetrakis(2,6-diphenylphenyl)-15-N,25-N-diphenyl-18-thia-12,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;15-N,25-N,12,28-tetrakis(2,6-diphenylphenyl)-22-(2-fluoro-6-phenylphenyl)-15-N,25-N-diphenyl-18-thia-12,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine
CID 165053072
20-fluoro-15-N,15-N,25-N,25-N,12,28-hexakis-phenyl-22-[2-phenyl-6-(trifluoromethyl)phenyl]-18-thia-12,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine
CID 174000428
22-(2,4-difluorophenyl)-15-N,25-N-diphenyl-15-N,25-N,12,28-tetrakis(2-phenylphenyl)-18-thia-12,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine
CID 164738306
22-(2-fluoro-6-phenylphenyl)-12,28-diphenyl-15-N,25-N-bis(2-phenylphenyl)-15-N,25-N-bis(4-phenylphenyl)-18-thia-12,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine
CID 164738078
22-(2,6-difluorophenyl)-25-N,28-bis(2,6-diphenylphenyl)-15-N,15-N,25-N,12-tetraphenyl-20-(trifluoromethyl)-18-thia-12,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine
CID 164738154
25-N,12,28-tris(2,6-difluorophenyl)-22-(2-methyl-6-phenylphenyl)-25-N-phenyl-15-N,15-N-bis(4-phenylphenyl)-18-thia-12,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine
CID 165037188
15-N,25-N,12,28-tetrakis(2,6-difluorophenyl)-20-fluoro-22-(2-methyl-6-phenylphenyl)-15-N,25-N-diphenyl-18-thia-12,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;25-N,12,28-tris(2,6-difluorophenyl)-20-fluoro-22-(2-methyl-6-phenylphenyl)-25-N-phenyl-15-N,15-N-bis(4-phenylphenyl)-18-thia-12,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;25-N,12,28-tris(2,6-difluorophenyl)-20-fluoro-25-N-phenyl-15-N,15-N-bis(4-phenylphenyl)-22-[4-(trifluoromethyl)phenyl]-18-thia-12,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23(35),24,26,29,31,33-pentadecaene-15,25-diamine
CID 165024584
22-(2,6-diphenylphenyl)-15-N,15-N,12,28-tetraphenyl-25-N-(3-phenylphenyl)-25-N-(4-phenylphenyl)-18-thia-12,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine
CID 164832792
22-(4-fluoro-2,6-diphenylphenyl)-15-N,15-N,12,28-tetraphenyl-25-N,25-N-bis(4-phenylphenyl)-18-thia-12,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine
CID 164738260

Frequently Asked Questions

What is the IUPAC name of 22-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-7,8,9,10,30,31,32,33-octadeuterio-20-fluoro-15-N,15-N,25-N,25-N,12,28-hexakis(2,3,4,5,6-pentadeuteriophenyl)-18-thia-12,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;7,8,9,10,30,31,32,33-octadeuterio-22-(2,4-difluorophenyl)-15-N,15-N,25-N,25-N,12,28-hexakis(2,3,4,5,6-pentadeuteriophenyl)-18-thia-12,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;7,8,9,10,30,31,32,33-octadeuterio-22-(2,6-difluorophenyl)-15-N,15-N,25-N,25-N,12,28-hexakis(2,3,4,5,6-pentadeuteriophenyl)-18-thia-12,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine?
The IUPAC name of 22-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-7,8,9,10,30,31,32,33-octadeuterio-20-fluoro-15-N,15-N,25-N,25-N,12,28-hexakis(2,3,4,5,6-pentadeuteriophenyl)-18-thia-12,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;7,8,9,10,30,31,32,33-octadeuterio-22-(2,4-difluorophenyl)-15-N,15-N,25-N,25-N,12,28-hexakis(2,3,4,5,6-pentadeuteriophenyl)-18-thia-12,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;7,8,9,10,30,31,32,33-octadeuterio-22-(2,6-difluorophenyl)-15-N,15-N,25-N,25-N,12,28-hexakis(2,3,4,5,6-pentadeuteriophenyl)-18-thia-12,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine (CID 164978375) is 22-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-7,8,9,10,30,31,32,33-octadeuterio-20-fluoro-15-N,15-N,25-N,25-N,12,28-hexakis(2,3,4,5,6-pentadeuteriophenyl)-18-thia-12,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;7,8,9,10,30,31,32,33-octadeuterio-22-(2,4-difluorophenyl)-15-N,15-N,25-N,25-N,12,28-hexakis(2,3,4,5,6-pentadeuteriophenyl)-18-thia-12,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;7,8,9,10,30,31,32,33-octadeuterio-22-(2,6-difluorophenyl)-15-N,15-N,25-N,25-N,12,28-hexakis(2,3,4,5,6-pentadeuteriophenyl)-18-thia-12,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine.
What is the SMILES notation for 22-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-7,8,9,10,30,31,32,33-octadeuterio-20-fluoro-15-N,15-N,25-N,25-N,12,28-hexakis(2,3,4,5,6-pentadeuteriophenyl)-18-thia-12,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;7,8,9,10,30,31,32,33-octadeuterio-22-(2,4-difluorophenyl)-15-N,15-N,25-N,25-N,12,28-hexakis(2,3,4,5,6-pentadeuteriophenyl)-18-thia-12,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;7,8,9,10,30,31,32,33-octadeuterio-22-(2,6-difluorophenyl)-15-N,15-N,25-N,25-N,12,28-hexakis(2,3,4,5,6-pentadeuteriophenyl)-18-thia-12,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine?
The canonical SMILES for 22-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-7,8,9,10,30,31,32,33-octadeuterio-20-fluoro-15-N,15-N,25-N,25-N,12,28-hexakis(2,3,4,5,6-pentadeuteriophenyl)-18-thia-12,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;7,8,9,10,30,31,32,33-octadeuterio-22-(2,4-difluorophenyl)-15-N,15-N,25-N,25-N,12,28-hexakis(2,3,4,5,6-pentadeuteriophenyl)-18-thia-12,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;7,8,9,10,30,31,32,33-octadeuterio-22-(2,6-difluorophenyl)-15-N,15-N,25-N,25-N,12,28-hexakis(2,3,4,5,6-pentadeuteriophenyl)-18-thia-12,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine is [2H]c1c([2H])c([2H])c(-c2cccc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2N2c3cc(N(c4c([2H])c([2H])c([2H])c([2H])c4[2H])c4c([2H])c([2H])c([2H])c([2H])c4[2H])cc4c3B(c3cc5c(c(F)c32)Sc2cc(N(c3c([2H])c([2H])c([2H])c([2H])c3[2H])c3c([2H])c([2H])c([2H])c([2H])c3[2H])cc3c2B5c2c([2H])c([2H])c([2H])c([2H])c2N3c2c([2H])c([2H])c([2H])c([2H])c2[2H])c2c([2H])c([2H])c([2H])c([2H])c2N4c2c([2H])c([2H])c([2H])c([2H])c2[2H])c([2H])c1[2H].[2H]c1c([2H])c([2H])c(N(c2cc3c4c(c2)N(c2c([2H])c([2H])c([2H])c([2H])c2[2H])c2c([2H])c([2H])c([2H])c([2H])c2B4c2cc4c(cc2S3)N(c2c(F)cccc2F)c2cc(N(c3c([2H])c([2H])c([2H])c([2H])c3[2H])c3c([2H])c([2H])c([2H])c([2H])c3[2H])cc3c2B4c2c([2H])c([2H])c([2H])c([2H])c2N3c2c([2H])c([2H])c([2H])c([2H])c2[2H])c2c([2H])c([2H])c([2H])c([2H])c2[2H])c([2H])c1[2H].[2H]c1c([2H])c([2H])c(N(c2cc3c4c(c2)N(c2c([2H])c([2H])c([2H])c([2H])c2[2H])c2c([2H])c([2H])c([2H])c([2H])c2B4c2cc4c(cc2S3)N(c2ccc(F)cc2F)c2cc(N(c3c([2H])c([2H])c([2H])c([2H])c3[2H])c3c([2H])c([2H])c([2H])c([2H])c3[2H])cc3c2B4c2c([2H])c([2H])c([2H])c([2H])c2N3c2c([2H])c([2H])c([2H])c([2H])c2[2H])c2c([2H])c([2H])c([2H])c([2H])c2[2H])c([2H])c1[2H].
What is the InChIKey of 22-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-7,8,9,10,30,31,32,33-octadeuterio-20-fluoro-15-N,15-N,25-N,25-N,12,28-hexakis(2,3,4,5,6-pentadeuteriophenyl)-18-thia-12,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;7,8,9,10,30,31,32,33-octadeuterio-22-(2,4-difluorophenyl)-15-N,15-N,25-N,25-N,12,28-hexakis(2,3,4,5,6-pentadeuteriophenyl)-18-thia-12,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;7,8,9,10,30,31,32,33-octadeuterio-22-(2,6-difluorophenyl)-15-N,15-N,25-N,25-N,12,28-hexakis(2,3,4,5,6-pentadeuteriophenyl)-18-thia-12,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine?
The InChIKey is FCQGTXVQEXQZMC-FJZQNGHYSA-N. The full InChI is InChI=1S/C84H56B2FN5S.2C72H47B2F2N5S/c87-81-83-71(56-72-84(81)93-78-55-66(89(61-38-17-5-18-39-61)62-40-19-6-20-41-62)54-77-80(78)86(72)70-49-26-28-51-74(70)91(77)64-44-23-8-24-45-64)85-69-48-25-27-50-73(69)90(63-42-21-7-22-43-63)75-52-65(88(59-34-13-3-14-35-59)60-36-15-4-16-37-60)53-76(79(75)85)92(83)82-67(57-30-9-1-10-31-57)46-29-47-68(82)58-32-11-2-12-33-58;75-60-38-23-39-61(76)72(60)81-64-47-68-59(74-57-37-20-22-41-63(57)80(53-34-17-6-18-35-53)67-44-55(45-69(82-68)71(67)74)78(50-28-11-3-12-29-50)51-30-13-4-14-31-51)46-58(64)73-56-36-19-21-40-62(56)79(52-32-15-5-16-33-52)65-42-54(43-66(81)70(65)73)77(48-24-7-1-8-25-48)49-26-9-2-10-27-49;75-48-39-40-64(61(76)41-48)81-65-47-69-60(74-58-36-20-22-38-63(58)80(54-33-17-6-18-34-54)68-44-56(45-70(82-69)72(68)74)78(51-27-11-3-12-28-51)52-29-13-4-14-30-52)46-59(65)73-57-35-19-21-37-62(57)79(53-31-15-5-16-32-53)66-42-55(43-67(81)71(66)73)77(49-23-7-1-8-24-49)50-25-9-2-10-26-50/h1-56H;2*1-47H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D,23D,24D,25D,26D,27D,28D,30D,31D,32D,33D,34D,35D,36D,37D,38D,39D,40D,41D,42D,43D,44D,45D,48D,49D,50D,51D;1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D,24D,25D,26D,27D,28D,29D,30D,31D,32D,33D,34D,35D,36D,37D,40D,41D;1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D,23D,24D,25D,26D,27D,28D,29D,30D,31D,32D,33D,34D,35D,36D,37D,38D.
What are the key properties of 22-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-7,8,9,10,30,31,32,33-octadeuterio-20-fluoro-15-N,15-N,25-N,25-N,12,28-hexakis(2,3,4,5,6-pentadeuteriophenyl)-18-thia-12,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;7,8,9,10,30,31,32,33-octadeuterio-22-(2,4-difluorophenyl)-15-N,15-N,25-N,25-N,12,28-hexakis(2,3,4,5,6-pentadeuteriophenyl)-18-thia-12,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;7,8,9,10,30,31,32,33-octadeuterio-22-(2,6-difluorophenyl)-15-N,15-N,25-N,25-N,12,28-hexakis(2,3,4,5,6-pentadeuteriophenyl)-18-thia-12,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine?
22-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-7,8,9,10,30,31,32,33-octadeuterio-20-fluoro-15-N,15-N,25-N,25-N,12,28-hexakis(2,3,4,5,6-pentadeuteriophenyl)-18-thia-12,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;7,8,9,10,30,31,32,33-octadeuterio-22-(2,4-difluorophenyl)-15-N,15-N,25-N,25-N,12,28-hexakis(2,3,4,5,6-pentadeuteriophenyl)-18-thia-12,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;7,8,9,10,30,31,32,33-octadeuterio-22-(2,6-difluorophenyl)-15-N,15-N,25-N,25-N,12,28-hexakis(2,3,4,5,6-pentadeuteriophenyl)-18-thia-12,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine has a molecular weight of 3480.63 g/mol, XLogP of 50.45, 29 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 22-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-7,8,9,10,30,31,32,33-octadeuterio-20-fluoro-15-N,15-N,25-N,25-N,12,28-hexakis(2,3,4,5,6-pentadeuteriophenyl)-18-thia-12,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;7,8,9,10,30,31,32,33-octadeuterio-22-(2,4-difluorophenyl)-15-N,15-N,25-N,25-N,12,28-hexakis(2,3,4,5,6-pentadeuteriophenyl)-18-thia-12,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;7,8,9,10,30,31,32,33-octadeuterio-22-(2,6-difluorophenyl)-15-N,15-N,25-N,25-N,12,28-hexakis(2,3,4,5,6-pentadeuteriophenyl)-18-thia-12,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine is sourced from PubChem (CID 164978375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).