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

C244H171B6N15S3 — CID 167611508

IUPAC22-[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
SMILES[2H]c1c([2H])c([2H])c(-c2cccc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2N2c3cc4c(cc3B3c5c2cc(N(c2c([2H])c([2H])c([2H])c([2H])c2[2H])c2c([2H])c([2H])c([2H])c([2H])c2[2H])cc5N(c2c([2H])c([2H])c([2H])c([2H])c2[2H])c2c([2H])c([2H])c([2H])c([2H])c23)B2c3c(cc(N(c5c([2H])c([2H])c([2H])c([2H])c5[2H])c5c([2H])c([2H])c([2H])c([2H])c5[2H])cc3N(c3c([2H])c([2H])c([2H])c([2H])c3[2H])c3c([2H])c([2H])c([2H])c([2H])c32)S4)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(c2ccccc2-c2ccc(C(C)(C)C)cc2)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(c2ccccc2-c2ccccc2)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/C84H57B2N5S.C82H61B2N5S.C78H53B2N5S/c1-9-30-58(31-10-1)68-46-29-47-69(59-32-11-2-12-33-59)84(68)91-76-57-80-73(86-71-49-26-28-51-75(71)90(65-44-23-8-24-45-65)79-54-67(55-81(92-80)83(79)86)88(62-38-17-5-18-39-62)63-40-19-6-20-41-63)56-72(76)85-70-48-25-27-50-74(70)89(64-42-21-7-22-43-64)77-52-66(53-78(91)82(77)85)87(60-34-13-3-14-35-60)61-36-15-4-16-37-61;1-82(2,3)57-48-46-56(47-49-57)66-40-22-25-43-71(66)89-74-55-78-70(84-68-42-24-27-45-73(68)88(63-38-20-9-21-39-63)77-52-65(53-79(90-78)81(77)84)86(60-32-14-6-15-33-60)61-34-16-7-17-35-61)54-69(74)83-67-41-23-26-44-72(67)87(62-36-18-8-19-37-62)75-50-64(51-76(89)80(75)83)85(58-28-10-4-11-29-58)59-30-12-5-13-31-59;1-8-28-54(29-9-1)63-42-22-25-45-68(63)85-71-53-75-67(80-65-44-24-27-47-70(65)84(60-40-20-7-21-41-60)74-50-62(51-76(86-75)78(74)80)82(57-34-14-4-15-35-57)58-36-16-5-17-37-58)52-66(71)79-64-43-23-26-46-69(64)83(59-38-18-6-19-39-59)72-48-61(49-73(85)77(72)79)81(55-30-10-2-11-31-55)56-32-12-3-13-33-56/h1-57H;4-55H,1-3H3;1-53H/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;4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,23D,24D,26D,27D,28D,29D,30D,31D,32D,33D,34D,35D,36D,37D,38D,39D,41D,42D,44D,45D;2D,3D,4D,5D,6D,7D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,23D,24D,26D,27D,30D,31D,32D,33D,34D,35D,36D,37D,38D,39D,40D,41D,43D,44D,46D,47D
InChIKeyLCTPYEZMVCAJAH-LRGFXCEZSA-N
MW3598.99 g/mol
LogP54.38
Rot. Bonds31

About 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

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 (PubChem CID 167611508) has the molecular formula C244H171B6N15S3 and a molecular weight of 3598.99 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-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.

Molecular Properties

Compound Name22-[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
PubChem CID167611508
Molecular FormulaC244H171B6N15S3
Molecular Weight3598.99 g/mol
Exact Mass3597.13
IUPAC Name22-[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
SMILES[2H]c1c([2H])c([2H])c(-c2cccc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2N2c3cc4c(cc3B3c5c2cc(N(c2c([2H])c([2H])c([2H])c([2H])c2[2H])c2c([2H])c([2H])c([2H])c([2H])c2[2H])cc5N(c2c([2H])c([2H])c([2H])c([2H])c2[2H])c2c([2H])c([2H])c([2H])c([2H])c23)B2c3c(cc(N(c5c([2H])c([2H])c([2H])c([2H])c5[2H])c5c([2H])c([2H])c([2H])c([2H])c5[2H])cc3N(c3c([2H])c([2H])c([2H])c([2H])c3[2H])c3c([2H])c([2H])c([2H])c([2H])c32)S4)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(c2ccccc2-c2ccc(C(C)(C)C)cc2)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(c2ccccc2-c2ccccc2)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/C84H57B2N5S.C82H61B2N5S.C78H53B2N5S/c1-9-30-58(31-10-1)68-46-29-47-69(59-32-11-2-12-33-59)84(68)91-76-57-80-73(86-71-49-26-28-51-75(71)90(65-44-23-8-24-45-65)79-54-67(55-81(92-80)83(79)86)88(62-38-17-5-18-39-62)63-40-19-6-20-41-63)56-72(76)85-70-48-25-27-50-74(70)89(64-42-21-7-22-43-64)77-52-66(53-78(91)82(77)85)87(60-34-13-3-14-35-60)61-36-15-4-16-37-61;1-82(2,3)57-48-46-56(47-49-57)66-40-22-25-43-71(66)89-74-55-78-70(84-68-42-24-27-45-73(68)88(63-38-20-9-21-39-63)77-52-65(53-79(90-78)81(77)84)86(60-32-14-6-15-33-60)61-34-16-7-17-35-61)54-69(74)83-67-41-23-26-44-72(67)87(62-36-18-8-19-37-62)75-50-64(51-76(89)80(75)83)85(58-28-10-4-11-29-58)59-30-12-5-13-31-59;1-8-28-54(29-9-1)63-42-22-25-45-68(63)85-71-53-75-67(80-65-44-24-27-47-70(65)84(60-40-20-7-21-41-60)74-50-62(51-76(86-75)78(74)80)82(57-34-14-4-15-35-57)58-36-16-5-17-37-58)52-66(71)79-64-43-23-26-46-69(64)83(59-38-18-6-19-39-59)72-48-61(49-73(85)77(72)79)81(55-30-10-2-11-31-55)56-32-12-3-13-33-56/h1-57H;4-55H,1-3H3;1-53H/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;4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,23D,24D,26D,27D,28D,29D,30D,31D,32D,33D,34D,35D,36D,37D,38D,39D,41D,42D,44D,45D;2D,3D,4D,5D,6D,7D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,23D,24D,26D,27D,30D,31D,32D,33D,34D,35D,36D,37D,38D,39D,40D,41D,43D,44D,46D,47D
InChIKeyLCTPYEZMVCAJAH-LRGFXCEZSA-N
XLogP54.38
TPSA48.60 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds31
Heavy Atoms268
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003598.99
LogP ≤ 554.38
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-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 with MolForge

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Related Compounds

22-[2-(4-tert-butylphenyl)phenyl]-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;22-(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;15-N,15-N,12,28-tetraphenyl-22-(2-phenylphenyl)-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 167568358
22-[2-(4-tert-butylphenyl)phenyl]-15-N,15-N,28-triphenyl-25-N-(3-phenylphenyl)-25-N-(4-phenylphenyl)-12,18-dithia-22,28-diaza-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-diphenylphenyl)-15-N,15-N,28-triphenyl-25-N,25-N-bis(4-phenylphenyl)-12,18-dithia-22,28-diaza-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-diphenylphenyl)-15-N,15-N,28-triphenyl-25-N-(3-phenylphenyl)-25-N-(4-phenylphenyl)-12,18-dithia-22,28-diaza-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,15-N,28-triphenyl-22-(2-phenylphenyl)-25-N-(3-phenylphenyl)-25-N-(4-phenylphenyl)-12,18-dithia-22,28-diaza-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 167544500
18-[2,6-bis(4-tert-butylphenyl)phenyl]-28-phenyl-15-N,15-N,25-N,25-N-tetrakis(4-phenylphenyl)-12,22-dithia-18,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;18-[2,6-bis(4-tert-butylphenyl)phenyl]-15-N,15-N,25-N,28-tetraphenyl-25-N-(4-phenylphenyl)-12,22-dithia-18,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;18-[2,6-bis(4-tert-butylphenyl)phenyl]-25-N,25-N,28-triphenyl-15-N,15-N-bis(4-phenylphenyl)-12,22-dithia-18,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine
CID 167674443
22-[2-(4-tert-butylphenyl)phenyl]-15-N,15-N,28-triphenyl-25-N-(2-phenylphenyl)-25-N-(4-phenylphenyl)-12,18-dithia-22,28-diaza-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-diphenylphenyl)-15-N,15-N,28-triphenyl-25-N-(2-phenylphenyl)-25-N-(4-phenylphenyl)-12,18-dithia-22,28-diaza-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,15-N,28-triphenyl-25-N,22-bis(2-phenylphenyl)-25-N-(4-phenylphenyl)-12,18-dithia-22,28-diaza-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 167583980
25-N,28-bis[2-(4-tert-butylphenyl)phenyl]-15-N,15-N,25-N,12,22-pentakis-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 164937929
22-[2,6-bis(4-tert-butylphenyl)phenyl]-25-N,28-bis[2-(4-tert-butylphenyl)phenyl]-15-N,15-N,25-N,18-tetraphenyl-12-thia-18,22,28-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),6,8,10,13,15,17(36),20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine
CID 164937950
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
22-[2-(4-tert-butylphenyl)phenyl]-25-N,25-N,28-triphenyl-15-N-(3-phenylphenyl)-15-N-(4-phenylphenyl)-12-oxa-18-thia-22,28-diaza-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-diphenylphenyl)-25-N,25-N,28-triphenyl-15-N,15-N-bis(4-phenylphenyl)-12-oxa-18-thia-22,28-diaza-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,25-N,28-triphenyl-22-(2-phenylphenyl)-15-N-(3-phenylphenyl)-15-N-(4-phenylphenyl)-12-oxa-18-thia-22,28-diaza-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 167575982
22-[2,6-bis(4-tert-butylphenyl)phenyl]-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;22-[2,6-bis(4-tert-butylphenyl)phenyl]-25-N,25-N,12,28-tetraphenyl-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;22-(2-methyl-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 167604863
15-(3,6-ditert-butylcarbazol-9-yl)-22-(2,6-diphenylphenyl)-N,N,12,28-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-pentadecaen-25-amine
CID 164732983
22-[2-(4-tert-butylphenyl)phenyl]-25-N,25-N,28-triphenyl-15-N-(3-phenylphenyl)-15-N-(4-phenylphenyl)-12,18-dithia-22,28-diaza-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 164833209
22-[2,6-bis(4-tert-butylphenyl)phenyl]-25-N,25-N,28-triphenyl-15-N,15-N-bis(4-phenylphenyl)-12-oxa-18-thia-22,28-diaza-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 164833093

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-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?
The IUPAC name of 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) is 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.
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-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?
The canonical SMILES for 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 is [2H]c1c([2H])c([2H])c(-c2cccc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2N2c3cc4c(cc3B3c5c2cc(N(c2c([2H])c([2H])c([2H])c([2H])c2[2H])c2c([2H])c([2H])c([2H])c([2H])c2[2H])cc5N(c2c([2H])c([2H])c([2H])c([2H])c2[2H])c2c([2H])c([2H])c([2H])c([2H])c23)B2c3c(cc(N(c5c([2H])c([2H])c([2H])c([2H])c5[2H])c5c([2H])c([2H])c([2H])c([2H])c5[2H])cc3N(c3c([2H])c([2H])c([2H])c([2H])c3[2H])c3c([2H])c([2H])c([2H])c([2H])c32)S4)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(c2ccccc2-c2ccc(C(C)(C)C)cc2)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(c2ccccc2-c2ccccc2)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-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?
The InChIKey is LCTPYEZMVCAJAH-LRGFXCEZSA-N. The full InChI is InChI=1S/C84H57B2N5S.C82H61B2N5S.C78H53B2N5S/c1-9-30-58(31-10-1)68-46-29-47-69(59-32-11-2-12-33-59)84(68)91-76-57-80-73(86-71-49-26-28-51-75(71)90(65-44-23-8-24-45-65)79-54-67(55-81(92-80)83(79)86)88(62-38-17-5-18-39-62)63-40-19-6-20-41-63)56-72(76)85-70-48-25-27-50-74(70)89(64-42-21-7-22-43-64)77-52-66(53-78(91)82(77)85)87(60-34-13-3-14-35-60)61-36-15-4-16-37-61;1-82(2,3)57-48-46-56(47-49-57)66-40-22-25-43-71(66)89-74-55-78-70(84-68-42-24-27-45-73(68)88(63-38-20-9-21-39-63)77-52-65(53-79(90-78)81(77)84)86(60-32-14-6-15-33-60)61-34-16-7-17-35-61)54-69(74)83-67-41-23-26-44-72(67)87(62-36-18-8-19-37-62)75-50-64(51-76(89)80(75)83)85(58-28-10-4-11-29-58)59-30-12-5-13-31-59;1-8-28-54(29-9-1)63-42-22-25-45-68(63)85-71-53-75-67(80-65-44-24-27-47-70(65)84(60-40-20-7-21-41-60)74-50-62(51-76(86-75)78(74)80)82(57-34-14-4-15-35-57)58-36-16-5-17-37-58)52-66(71)79-64-43-23-26-46-69(64)83(59-38-18-6-19-39-59)72-48-61(49-73(85)77(72)79)81(55-30-10-2-11-31-55)56-32-12-3-13-33-56/h1-57H;4-55H,1-3H3;1-53H/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;4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,23D,24D,26D,27D,28D,29D,30D,31D,32D,33D,34D,35D,36D,37D,38D,39D,41D,42D,44D,45D;2D,3D,4D,5D,6D,7D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,23D,24D,26D,27D,30D,31D,32D,33D,34D,35D,36D,37D,38D,39D,40D,41D,43D,44D,46D,47D.
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-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?
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 has a molecular weight of 3598.99 g/mol, XLogP of 54.38, 31 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-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 is sourced from PubChem (CID 167611508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).