About 5,18-diphenyl-9,22-bis(2,4,6-trimethylphenyl)-2,15-diaza-9,22-diboraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(26),3(8),4,6,10(28),11,13,16(21),17,19,23(27),24-dodecaene;5,18-dipyridin-3-yl-9,22-bis(2,4,6-trimethylphenyl)-2,15-diaza-9,22-diboraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(26),3(8),4,6,10(28),11,13,16(21),17,19,23(27),24-dodecaene;6,23-dipyridin-3-yl-9,26-bis(2,4,6-trimethylphenyl)-2,19-diaza-9,26-diboranonacyclo[17.15.1.12,10.03,8.011,16.020,25.027,35.028,33.018,36]hexatriaconta-1(34),3(8),4,6,10(36),11,13,15,17,20(25),21,23,27(35),28,30,32-hexadecaene;5,22-dipyridin-2-yl-8,25-bis(2,4,6-trimethylphenyl)-1,18-diaza-8,25-diboraoctacyclo[15.13.1.118,26.02,7.09,31.010,15.019,24.030,32]dotriaconta-2(7),3,5,9(31),10,12,14,16,19(24),20,22,26(32),27,29-tetradecaene
5,18-diphenyl-9,22-bis(2,4,6-trimethylphenyl)-2,15-diaza-9,22-diboraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(26),3(8),4,6,10(28),11,13,16(21),17,19,23(27),24-dodecaene;5,18-dipyridin-3-yl-9,22-bis(2,4,6-trimethylphenyl)-2,15-diaza-9,22-diboraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(26),3(8),4,6,10(28),11,13,16(21),17,19,23(27),24-dodecaene;6,23-dipyridin-3-yl-9,26-bis(2,4,6-trimethylphenyl)-2,19-diaza-9,26-diboranonacyclo[17.15.1.12,10.03,8.011,16.020,25.027,35.028,33.018,36]hexatriaconta-1(34),3(8),4,6,10(36),11,13,15,17,20(25),21,23,27(35),28,30,32-hexadecaene;5,22-dipyridin-2-yl-8,25-bis(2,4,6-trimethylphenyl)-1,18-diaza-8,25-diboraoctacyclo[15.13.1.118,26.02,7.09,31.010,15.019,24.030,32]dotriaconta-2(7),3,5,9(31),10,12,14,16,19(24),20,22,26(32),27,29-tetradecaene (PubChem CID 160639161) has the molecular formula C222H176B8N14
and a molecular weight of 3126.44 g/mol. Its IUPAC name is 5,18-diphenyl-9,22-bis(2,4,6-trimethylphenyl)-2,15-diaza-9,22-diboraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(26),3(8),4,6,10(28),11,13,16(21),17,19,23(27),24-dodecaene;5,18-dipyridin-3-yl-9,22-bis(2,4,6-trimethylphenyl)-2,15-diaza-9,22-diboraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(26),3(8),4,6,10(28),11,13,16(21),17,19,23(27),24-dodecaene;6,23-dipyridin-3-yl-9,26-bis(2,4,6-trimethylphenyl)-2,19-diaza-9,26-diboranonacyclo[17.15.1.12,10.03,8.011,16.020,25.027,35.028,33.018,36]hexatriaconta-1(34),3(8),4,6,10(36),11,13,15,17,20(25),21,23,27(35),28,30,32-hexadecaene;5,22-dipyridin-2-yl-8,25-bis(2,4,6-trimethylphenyl)-1,18-diaza-8,25-diboraoctacyclo[15.13.1.118,26.02,7.09,31.010,15.019,24.030,32]dotriaconta-2(7),3,5,9(31),10,12,14,16,19(24),20,22,26(32),27,29-tetradecaene.
Frequently Asked Questions
What is the IUPAC name of 5,18-diphenyl-9,22-bis(2,4,6-trimethylphenyl)-2,15-diaza-9,22-diboraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(26),3(8),4,6,10(28),11,13,16(21),17,19,23(27),24-dodecaene;5,18-dipyridin-3-yl-9,22-bis(2,4,6-trimethylphenyl)-2,15-diaza-9,22-diboraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(26),3(8),4,6,10(28),11,13,16(21),17,19,23(27),24-dodecaene;6,23-dipyridin-3-yl-9,26-bis(2,4,6-trimethylphenyl)-2,19-diaza-9,26-diboranonacyclo[17.15.1.12,10.03,8.011,16.020,25.027,35.028,33.018,36]hexatriaconta-1(34),3(8),4,6,10(36),11,13,15,17,20(25),21,23,27(35),28,30,32-hexadecaene;5,22-dipyridin-2-yl-8,25-bis(2,4,6-trimethylphenyl)-1,18-diaza-8,25-diboraoctacyclo[15.13.1.118,26.02,7.09,31.010,15.019,24.030,32]dotriaconta-2(7),3,5,9(31),10,12,14,16,19(24),20,22,26(32),27,29-tetradecaene?
The IUPAC name of 5,18-diphenyl-9,22-bis(2,4,6-trimethylphenyl)-2,15-diaza-9,22-diboraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(26),3(8),4,6,10(28),11,13,16(21),17,19,23(27),24-dodecaene;5,18-dipyridin-3-yl-9,22-bis(2,4,6-trimethylphenyl)-2,15-diaza-9,22-diboraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(26),3(8),4,6,10(28),11,13,16(21),17,19,23(27),24-dodecaene;6,23-dipyridin-3-yl-9,26-bis(2,4,6-trimethylphenyl)-2,19-diaza-9,26-diboranonacyclo[17.15.1.12,10.03,8.011,16.020,25.027,35.028,33.018,36]hexatriaconta-1(34),3(8),4,6,10(36),11,13,15,17,20(25),21,23,27(35),28,30,32-hexadecaene;5,22-dipyridin-2-yl-8,25-bis(2,4,6-trimethylphenyl)-1,18-diaza-8,25-diboraoctacyclo[15.13.1.118,26.02,7.09,31.010,15.019,24.030,32]dotriaconta-2(7),3,5,9(31),10,12,14,16,19(24),20,22,26(32),27,29-tetradecaene (CID 160639161) is 5,18-diphenyl-9,22-bis(2,4,6-trimethylphenyl)-2,15-diaza-9,22-diboraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(26),3(8),4,6,10(28),11,13,16(21),17,19,23(27),24-dodecaene;5,18-dipyridin-3-yl-9,22-bis(2,4,6-trimethylphenyl)-2,15-diaza-9,22-diboraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(26),3(8),4,6,10(28),11,13,16(21),17,19,23(27),24-dodecaene;6,23-dipyridin-3-yl-9,26-bis(2,4,6-trimethylphenyl)-2,19-diaza-9,26-diboranonacyclo[17.15.1.12,10.03,8.011,16.020,25.027,35.028,33.018,36]hexatriaconta-1(34),3(8),4,6,10(36),11,13,15,17,20(25),21,23,27(35),28,30,32-hexadecaene;5,22-dipyridin-2-yl-8,25-bis(2,4,6-trimethylphenyl)-1,18-diaza-8,25-diboraoctacyclo[15.13.1.118,26.02,7.09,31.010,15.019,24.030,32]dotriaconta-2(7),3,5,9(31),10,12,14,16,19(24),20,22,26(32),27,29-tetradecaene.
What is the SMILES notation for 5,18-diphenyl-9,22-bis(2,4,6-trimethylphenyl)-2,15-diaza-9,22-diboraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(26),3(8),4,6,10(28),11,13,16(21),17,19,23(27),24-dodecaene;5,18-dipyridin-3-yl-9,22-bis(2,4,6-trimethylphenyl)-2,15-diaza-9,22-diboraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(26),3(8),4,6,10(28),11,13,16(21),17,19,23(27),24-dodecaene;6,23-dipyridin-3-yl-9,26-bis(2,4,6-trimethylphenyl)-2,19-diaza-9,26-diboranonacyclo[17.15.1.12,10.03,8.011,16.020,25.027,35.028,33.018,36]hexatriaconta-1(34),3(8),4,6,10(36),11,13,15,17,20(25),21,23,27(35),28,30,32-hexadecaene;5,22-dipyridin-2-yl-8,25-bis(2,4,6-trimethylphenyl)-1,18-diaza-8,25-diboraoctacyclo[15.13.1.118,26.02,7.09,31.010,15.019,24.030,32]dotriaconta-2(7),3,5,9(31),10,12,14,16,19(24),20,22,26(32),27,29-tetradecaene?
The canonical SMILES for 5,18-diphenyl-9,22-bis(2,4,6-trimethylphenyl)-2,15-diaza-9,22-diboraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(26),3(8),4,6,10(28),11,13,16(21),17,19,23(27),24-dodecaene;5,18-dipyridin-3-yl-9,22-bis(2,4,6-trimethylphenyl)-2,15-diaza-9,22-diboraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(26),3(8),4,6,10(28),11,13,16(21),17,19,23(27),24-dodecaene;6,23-dipyridin-3-yl-9,26-bis(2,4,6-trimethylphenyl)-2,19-diaza-9,26-diboranonacyclo[17.15.1.12,10.03,8.011,16.020,25.027,35.028,33.018,36]hexatriaconta-1(34),3(8),4,6,10(36),11,13,15,17,20(25),21,23,27(35),28,30,32-hexadecaene;5,22-dipyridin-2-yl-8,25-bis(2,4,6-trimethylphenyl)-1,18-diaza-8,25-diboraoctacyclo[15.13.1.118,26.02,7.09,31.010,15.019,24.030,32]dotriaconta-2(7),3,5,9(31),10,12,14,16,19(24),20,22,26(32),27,29-tetradecaene is Cc1cc(C)c(B2c3cc(-c4ccccn4)ccc3N3c4cc5ccccc5c5c4N(c4ccc(-c6ccccn6)cc4B5c4c(C)cc(C)cc4C)c4cccc2c43)c(C)c1.Cc1cc(C)c(B2c3cc(-c4cccnc4)ccc3N3c4cc5ccccc5c5c4N(c4ccc(-c6cccnc6)cc4B5c4c(C)cc(C)cc4C)c4cc5ccccc5c2c43)c(C)c1.Cc1cc(C)c(B2c3ccc(-c4ccccc4)cc3N3c4cccc5c4N(c4cc(-c6ccccc6)ccc4B5c4c(C)cc(C)cc4C)c4cccc2c43)c(C)c1.Cc1cc(C)c(B2c3ccc(-c4cccnc4)cc3N3c4cccc5c4N(c4cc(-c6cccnc6)ccc4B5c4c(C)cc(C)cc4C)c4cccc2c43)c(C)c1.
What is the InChIKey of 5,18-diphenyl-9,22-bis(2,4,6-trimethylphenyl)-2,15-diaza-9,22-diboraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(26),3(8),4,6,10(28),11,13,16(21),17,19,23(27),24-dodecaene;5,18-dipyridin-3-yl-9,22-bis(2,4,6-trimethylphenyl)-2,15-diaza-9,22-diboraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(26),3(8),4,6,10(28),11,13,16(21),17,19,23(27),24-dodecaene;6,23-dipyridin-3-yl-9,26-bis(2,4,6-trimethylphenyl)-2,19-diaza-9,26-diboranonacyclo[17.15.1.12,10.03,8.011,16.020,25.027,35.028,33.018,36]hexatriaconta-1(34),3(8),4,6,10(36),11,13,15,17,20(25),21,23,27(35),28,30,32-hexadecaene;5,22-dipyridin-2-yl-8,25-bis(2,4,6-trimethylphenyl)-1,18-diaza-8,25-diboraoctacyclo[15.13.1.118,26.02,7.09,31.010,15.019,24.030,32]dotriaconta-2(7),3,5,9(31),10,12,14,16,19(24),20,22,26(32),27,29-tetradecaene?
The InChIKey is RIYBPYIJDSJCSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H46B2N4.C56H44B2N4.C54H44B2N2.C52H42B2N4/c1-35-25-37(3)55(38(4)26-35)61-49-29-41(45-15-11-23-63-33-45)19-21-51(49)65-54-32-44-14-8-10-18-48(44)58-60(54)66(53-31-43-13-7-9-17-47(43)57(61)59(53)65)52-22-20-42(46-16-12-24-64-34-46)30-50(52)62(58)56-39(5)27-36(2)28-40(56)6;1-33-26-35(3)52(36(4)27-33)57-43-16-13-19-50-55(43)62(48-22-20-40(30-44(48)57)46-17-9-11-24-59-46)51-32-39-14-7-8-15-42(39)54-56(51)61(50)49-23-21-41(47-18-10-12-25-60-47)31-45(49)58(54)53-37(5)28-34(2)29-38(53)6;1-33-27-35(3)51(36(4)28-33)55-43-25-23-41(39-15-9-7-10-16-39)31-49(43)57-48-22-14-20-46-54(48)58(47-21-13-19-45(55)53(47)57)50-32-42(40-17-11-8-12-18-40)24-26-44(50)56(46)52-37(5)29-34(2)30-38(52)6;1-31-23-33(3)49(34(4)24-31)53-41-19-17-37(39-11-9-21-55-29-39)27-47(41)57-46-16-8-14-44-52(46)58(45-15-7-13-43(53)51(45)57)48-28-38(40-12-10-22-56-30-40)18-20-42(48)54(44)50-35(5)25-32(2)26-36(50)6/h7-34H,1-6H3;7-32H,1-6H3;7-32H,1-6H3;7-30H,1-6H3.
What are the key properties of 5,18-diphenyl-9,22-bis(2,4,6-trimethylphenyl)-2,15-diaza-9,22-diboraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(26),3(8),4,6,10(28),11,13,16(21),17,19,23(27),24-dodecaene;5,18-dipyridin-3-yl-9,22-bis(2,4,6-trimethylphenyl)-2,15-diaza-9,22-diboraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(26),3(8),4,6,10(28),11,13,16(21),17,19,23(27),24-dodecaene;6,23-dipyridin-3-yl-9,26-bis(2,4,6-trimethylphenyl)-2,19-diaza-9,26-diboranonacyclo[17.15.1.12,10.03,8.011,16.020,25.027,35.028,33.018,36]hexatriaconta-1(34),3(8),4,6,10(36),11,13,15,17,20(25),21,23,27(35),28,30,32-hexadecaene;5,22-dipyridin-2-yl-8,25-bis(2,4,6-trimethylphenyl)-1,18-diaza-8,25-diboraoctacyclo[15.13.1.118,26.02,7.09,31.010,15.019,24.030,32]dotriaconta-2(7),3,5,9(31),10,12,14,16,19(24),20,22,26(32),27,29-tetradecaene?
5,18-diphenyl-9,22-bis(2,4,6-trimethylphenyl)-2,15-diaza-9,22-diboraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(26),3(8),4,6,10(28),11,13,16(21),17,19,23(27),24-dodecaene;5,18-dipyridin-3-yl-9,22-bis(2,4,6-trimethylphenyl)-2,15-diaza-9,22-diboraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(26),3(8),4,6,10(28),11,13,16(21),17,19,23(27),24-dodecaene;6,23-dipyridin-3-yl-9,26-bis(2,4,6-trimethylphenyl)-2,19-diaza-9,26-diboranonacyclo[17.15.1.12,10.03,8.011,16.020,25.027,35.028,33.018,36]hexatriaconta-1(34),3(8),4,6,10(36),11,13,15,17,20(25),21,23,27(35),28,30,32-hexadecaene;5,22-dipyridin-2-yl-8,25-bis(2,4,6-trimethylphenyl)-1,18-diaza-8,25-diboraoctacyclo[15.13.1.118,26.02,7.09,31.010,15.019,24.030,32]dotriaconta-2(7),3,5,9(31),10,12,14,16,19(24),20,22,26(32),27,29-tetradecaene has a molecular weight of 3126.44 g/mol, XLogP of 38.96, 16 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 5,18-diphenyl-9,22-bis(2,4,6-trimethylphenyl)-2,15-diaza-9,22-diboraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(26),3(8),4,6,10(28),11,13,16(21),17,19,23(27),24-dodecaene;5,18-dipyridin-3-yl-9,22-bis(2,4,6-trimethylphenyl)-2,15-diaza-9,22-diboraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(26),3(8),4,6,10(28),11,13,16(21),17,19,23(27),24-dodecaene;6,23-dipyridin-3-yl-9,26-bis(2,4,6-trimethylphenyl)-2,19-diaza-9,26-diboranonacyclo[17.15.1.12,10.03,8.011,16.020,25.027,35.028,33.018,36]hexatriaconta-1(34),3(8),4,6,10(36),11,13,15,17,20(25),21,23,27(35),28,30,32-hexadecaene;5,22-dipyridin-2-yl-8,25-bis(2,4,6-trimethylphenyl)-1,18-diaza-8,25-diboraoctacyclo[15.13.1.118,26.02,7.09,31.010,15.019,24.030,32]dotriaconta-2(7),3,5,9(31),10,12,14,16,19(24),20,22,26(32),27,29-tetradecaene is sourced from PubChem (CID 160639161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).