13,28-bis(3,6-ditert-butylcarbazol-9-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;4-[28-(4-cyano-2,6-dimethylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2(19),3,6,8,10,12,14,16(32),17,21,23,25,27,29-pentadecaen-13-yl]-3,5-dimethylbenzonitrile;4-[28-(4-cyanophenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2(19),3,6,8,10,12,14,16(32),17,21,23,25,27,29-pentadecaen-13-yl]benzonitrile;5,24-diazaundecacyclo[22.14.1.15,12.02,23.04,21.06,11.013,18.025,30.031,39.032,37.020,40]tetraconta-1(38),2,4(21),6,8,10,12(40),13,15,17,19,22,25,27,29,31(39),32,34,36-nonadecaene;5,24-diazaundecacyclo[22.14.1.15,12.02,23.04,21.06,11.014,19.025,30.031,39.033,38.020,40]tetraconta-1(39),2,4(21),6,8,10,12,14,16,18,20(40),22,25,27,29,31,33,35,37-nonadecaene;13,28-di(carbazol-9-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;13,28-dimethyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;3-[28-(5-isocyano-2-methylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2(19),3,6,8,10,12,14,16(32),17,21,23,25,27,29-pentadecaen-13-yl]-4-methylbenzonitrile;trimethyl-(28-trimethylsilyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2(19),3,6,8,10,12,14,16(32),17,21,23,25,27,29-pentadecaen-13-yl)silane

C406H262N28Si2 — CID 159806968

IUPAC13,28-bis(3,6-ditert-butylcarbazol-9-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;4-[28-(4-cyano-2,6-dimethylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2(19),3,6,8,10,12,14,16(32),17,21,23,25,27,29-pentadecaen-13-yl]-3,5-dimethylbenzonitrile;4-[28-(4-cyanophenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2(19),3,6,8,10,12,14,16(32),17,21,23,25,27,29-pentadecaen-13-yl]benzonitrile;5,24-diazaundecacyclo[22.14.1.15,12.02,23.04,21.06,11.013,18.025,30.031,39.032,37.020,40]tetraconta-1(38),2,4(21),6,8,10,12(40),13,15,17,19,22,25,27,29,31(39),32,34,36-nonadecaene;5,24-diazaundecacyclo[22.14.1.15,12.02,23.04,21.06,11.014,19.025,30.031,39.033,38.020,40]tetraconta-1(39),2,4(21),6,8,10,12,14,16,18,20(40),22,25,27,29,31,33,35,37-nonadecaene;13,28-di(carbazol-9-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;13,28-dimethyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;3-[28-(5-isocyano-2-methylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2(19),3,6,8,10,12,14,16(32),17,21,23,25,27,29-pentadecaen-13-yl]-4-methylbenzonitrile;trimethyl-(28-trimethylsilyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2(19),3,6,8,10,12,14,16(32),17,21,23,25,27,29-pentadecaen-13-yl)silane
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc2c3cc4c(cc3n3c5ccccc5c1c23)c1ccc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)c2c3ccccc3n4c12.C[Si](C)(C)c1ccc2c3cc4c(cc3n3c5ccccc5c1c23)c1ccc([Si](C)(C)C)c2c3ccccc3n4c12.Cc1cc(C#N)cc(C)c1-c1ccc2c3cc4c(cc3n3c5ccccc5c1c23)c1ccc(-c2c(C)cc(C#N)cc2C)c2c3ccccc3n4c12.Cc1ccc2c3cc4c(cc3n3c5ccccc5c1c23)c1ccc(C)c2c3ccccc3n4c12.N#Cc1ccc(-c2ccc3c4cc5c(cc4n4c6ccccc6c2c34)c2ccc(-c3ccc(C#N)cc3)c3c4ccccc4n5c23)cc1.[C-]#[N+]c1ccc(C)c(-c2ccc3c4cc5c(cc4n4c6ccccc6c2c34)c2ccc(-c3cc(C#N)ccc3C)c3c4ccccc4n5c23)c1.c1ccc2c(c1)c1ccccc1n2-c1ccc2c3cc4c(cc3n3c5ccccc5c1c23)c1ccc(-n2c3ccccc3c3ccccc32)c2c3ccccc3n4c12.c1ccc2c(c1)cc1c3cc4c(cc3n3c5ccccc5c2c13)c1cc2ccccc2c2c3ccccc3n4c12.c1ccc2c(c1)cc1c3ccccc3n3c4cc5c6c7ccccc7cc7c8ccccc8n(c5cc4c2c13)c76
InChIInChI=1S/C70H62N4.C54H30N4.C48H30N4.C46H26N4.C44H22N4.2C38H20N2.C36H32N2Si2.C32H20N2/c1-67(2,3)39-21-27-55-47(33-39)48-34-40(68(4,5)6)22-28-56(48)71(55)59-31-25-43-51-37-62-52(38-61(51)73-53-19-15-13-17-45(53)63(59)65(43)73)44-26-32-60(64-46-18-14-16-20-54(46)74(62)66(44)64)72-57-29-23-41(69(7,8)9)35-49(57)50-36-42(70(10,11)12)24-30-58(50)72;1-7-19-41-31(13-1)32-14-2-8-20-42(32)55(41)47-27-25-35-39-29-50-40(30-49(39)57-45-23-11-5-17-37(45)51(47)53(35)57)36-26-28-48(52-38-18-6-12-24-46(38)58(50)54(36)52)56-43-21-9-3-15-33(43)34-16-4-10-22-44(34)56;1-25-17-29(23-49)18-26(2)43(25)35-15-13-31-37-21-42-38(22-41(37)51-39-11-7-5-9-33(39)45(35)47(31)51)32-14-16-36(44-27(3)19-30(24-50)20-28(44)4)46-34-10-6-8-12-40(34)52(42)48(32)46;1-25-12-14-27(24-47)20-35(25)29-16-18-31-37-22-42-38(23-41(37)49-39-10-6-4-8-33(39)43(29)45(31)49)32-19-17-30(36-21-28(48-3)15-13-26(36)2)44-34-9-5-7-11-40(34)50(42)46(32)44;45-23-25-9-13-27(14-10-25)29-17-19-31-35-22-40-36(21-39(35)47-37-7-3-1-5-33(37)41(29)43(31)47)32-20-18-30(28-15-11-26(24-46)12-16-28)42-34-6-2-4-8-38(34)48(40)44(32)42;1-3-11-23-21(9-1)17-29-27-19-34-28(20-33(27)39-31-15-7-5-13-25(31)35(23)37(29)39)30-18-22-10-2-4-12-24(22)36-26-14-6-8-16-32(26)40(34)38(30)36;1-3-11-23-21(9-1)17-27-25-13-5-7-15-31(25)39-33-20-30-34(19-29(33)35(23)37(27)39)40-32-16-8-6-14-26(32)28-18-22-10-2-4-12-24(22)36(30)38(28)40;1-39(2,3)31-17-15-21-25-19-30-26(20-29(25)37-27-13-9-7-11-23(27)33(31)35(21)37)22-16-18-32(40(4,5)6)34-24-12-8-10-14-28(24)38(30)36(22)34;1-17-11-13-19-23-15-28-24(16-27(23)33-25-9-5-3-7-21(25)29(17)31(19)33)20-14-12-18(2)30-22-8-4-6-10-26(22)34(28)32(20)30/h13-38H,1-12H3;1-30H;5-22H,1-4H3;4-23H,1-2H3;1-22H;2*1-20H;7-20H,1-6H3;3-16H,1-2H3
InChIKeyNKNGDPFGQAXOIM-UHFFFAOYSA-N
MW5588.93 g/mol
LogP107.54
Rot. Bonds12

About 13,28-bis(3,6-ditert-butylcarbazol-9-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;4-[28-(4-cyano-2,6-dimethylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2(19),3,6,8,10,12,14,16(32),17,21,23,25,27,29-pentadecaen-13-yl]-3,5-dimethylbenzonitrile;4-[28-(4-cyanophenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2(19),3,6,8,10,12,14,16(32),17,21,23,25,27,29-pentadecaen-13-yl]benzonitrile;5,24-diazaundecacyclo[22.14.1.15,12.02,23.04,21.06,11.013,18.025,30.031,39.032,37.020,40]tetraconta-1(38),2,4(21),6,8,10,12(40),13,15,17,19,22,25,27,29,31(39),32,34,36-nonadecaene;5,24-diazaundecacyclo[22.14.1.15,12.02,23.04,21.06,11.014,19.025,30.031,39.033,38.020,40]tetraconta-1(39),2,4(21),6,8,10,12,14,16,18,20(40),22,25,27,29,31,33,35,37-nonadecaene;13,28-di(carbazol-9-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;13,28-dimethyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;3-[28-(5-isocyano-2-methylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2(19),3,6,8,10,12,14,16(32),17,21,23,25,27,29-pentadecaen-13-yl]-4-methylbenzonitrile;trimethyl-(28-trimethylsilyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2(19),3,6,8,10,12,14,16(32),17,21,23,25,27,29-pentadecaen-13-yl)silane

13,28-bis(3,6-ditert-butylcarbazol-9-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;4-[28-(4-cyano-2,6-dimethylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2(19),3,6,8,10,12,14,16(32),17,21,23,25,27,29-pentadecaen-13-yl]-3,5-dimethylbenzonitrile;4-[28-(4-cyanophenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2(19),3,6,8,10,12,14,16(32),17,21,23,25,27,29-pentadecaen-13-yl]benzonitrile;5,24-diazaundecacyclo[22.14.1.15,12.02,23.04,21.06,11.013,18.025,30.031,39.032,37.020,40]tetraconta-1(38),2,4(21),6,8,10,12(40),13,15,17,19,22,25,27,29,31(39),32,34,36-nonadecaene;5,24-diazaundecacyclo[22.14.1.15,12.02,23.04,21.06,11.014,19.025,30.031,39.033,38.020,40]tetraconta-1(39),2,4(21),6,8,10,12,14,16,18,20(40),22,25,27,29,31,33,35,37-nonadecaene;13,28-di(carbazol-9-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;13,28-dimethyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;3-[28-(5-isocyano-2-methylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2(19),3,6,8,10,12,14,16(32),17,21,23,25,27,29-pentadecaen-13-yl]-4-methylbenzonitrile;trimethyl-(28-trimethylsilyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2(19),3,6,8,10,12,14,16(32),17,21,23,25,27,29-pentadecaen-13-yl)silane (PubChem CID 159806968) has the molecular formula C406H262N28Si2 and a molecular weight of 5588.93 g/mol. Its IUPAC name is 13,28-bis(3,6-ditert-butylcarbazol-9-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;4-[28-(4-cyano-2,6-dimethylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2(19),3,6,8,10,12,14,16(32),17,21,23,25,27,29-pentadecaen-13-yl]-3,5-dimethylbenzonitrile;4-[28-(4-cyanophenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2(19),3,6,8,10,12,14,16(32),17,21,23,25,27,29-pentadecaen-13-yl]benzonitrile;5,24-diazaundecacyclo[22.14.1.15,12.02,23.04,21.06,11.013,18.025,30.031,39.032,37.020,40]tetraconta-1(38),2,4(21),6,8,10,12(40),13,15,17,19,22,25,27,29,31(39),32,34,36-nonadecaene;5,24-diazaundecacyclo[22.14.1.15,12.02,23.04,21.06,11.014,19.025,30.031,39.033,38.020,40]tetraconta-1(39),2,4(21),6,8,10,12,14,16,18,20(40),22,25,27,29,31,33,35,37-nonadecaene;13,28-di(carbazol-9-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;13,28-dimethyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;3-[28-(5-isocyano-2-methylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2(19),3,6,8,10,12,14,16(32),17,21,23,25,27,29-pentadecaen-13-yl]-4-methylbenzonitrile;trimethyl-(28-trimethylsilyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2(19),3,6,8,10,12,14,16(32),17,21,23,25,27,29-pentadecaen-13-yl)silane.

Molecular Properties

Compound Name13,28-bis(3,6-ditert-butylcarbazol-9-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;4-[28-(4-cyano-2,6-dimethylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2(19),3,6,8,10,12,14,16(32),17,21,23,25,27,29-pentadecaen-13-yl]-3,5-dimethylbenzonitrile;4-[28-(4-cyanophenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2(19),3,6,8,10,12,14,16(32),17,21,23,25,27,29-pentadecaen-13-yl]benzonitrile;5,24-diazaundecacyclo[22.14.1.15,12.02,23.04,21.06,11.013,18.025,30.031,39.032,37.020,40]tetraconta-1(38),2,4(21),6,8,10,12(40),13,15,17,19,22,25,27,29,31(39),32,34,36-nonadecaene;5,24-diazaundecacyclo[22.14.1.15,12.02,23.04,21.06,11.014,19.025,30.031,39.033,38.020,40]tetraconta-1(39),2,4(21),6,8,10,12,14,16,18,20(40),22,25,27,29,31,33,35,37-nonadecaene;13,28-di(carbazol-9-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;13,28-dimethyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;3-[28-(5-isocyano-2-methylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2(19),3,6,8,10,12,14,16(32),17,21,23,25,27,29-pentadecaen-13-yl]-4-methylbenzonitrile;trimethyl-(28-trimethylsilyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2(19),3,6,8,10,12,14,16(32),17,21,23,25,27,29-pentadecaen-13-yl)silane
PubChem CID159806968
Molecular FormulaC406H262N28Si2
Molecular Weight5588.93 g/mol
Exact Mass5584.09
IUPAC Name13,28-bis(3,6-ditert-butylcarbazol-9-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;4-[28-(4-cyano-2,6-dimethylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2(19),3,6,8,10,12,14,16(32),17,21,23,25,27,29-pentadecaen-13-yl]-3,5-dimethylbenzonitrile;4-[28-(4-cyanophenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2(19),3,6,8,10,12,14,16(32),17,21,23,25,27,29-pentadecaen-13-yl]benzonitrile;5,24-diazaundecacyclo[22.14.1.15,12.02,23.04,21.06,11.013,18.025,30.031,39.032,37.020,40]tetraconta-1(38),2,4(21),6,8,10,12(40),13,15,17,19,22,25,27,29,31(39),32,34,36-nonadecaene;5,24-diazaundecacyclo[22.14.1.15,12.02,23.04,21.06,11.014,19.025,30.031,39.033,38.020,40]tetraconta-1(39),2,4(21),6,8,10,12,14,16,18,20(40),22,25,27,29,31,33,35,37-nonadecaene;13,28-di(carbazol-9-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;13,28-dimethyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;3-[28-(5-isocyano-2-methylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2(19),3,6,8,10,12,14,16(32),17,21,23,25,27,29-pentadecaen-13-yl]-4-methylbenzonitrile;trimethyl-(28-trimethylsilyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2(19),3,6,8,10,12,14,16(32),17,21,23,25,27,29-pentadecaen-13-yl)silane
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc2c3cc4c(cc3n3c5ccccc5c1c23)c1ccc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)c2c3ccccc3n4c12.C[Si](C)(C)c1ccc2c3cc4c(cc3n3c5ccccc5c1c23)c1ccc([Si](C)(C)C)c2c3ccccc3n4c12.Cc1cc(C#N)cc(C)c1-c1ccc2c3cc4c(cc3n3c5ccccc5c1c23)c1ccc(-c2c(C)cc(C#N)cc2C)c2c3ccccc3n4c12.Cc1ccc2c3cc4c(cc3n3c5ccccc5c1c23)c1ccc(C)c2c3ccccc3n4c12.N#Cc1ccc(-c2ccc3c4cc5c(cc4n4c6ccccc6c2c34)c2ccc(-c3ccc(C#N)cc3)c3c4ccccc4n5c23)cc1.[C-]#[N+]c1ccc(C)c(-c2ccc3c4cc5c(cc4n4c6ccccc6c2c34)c2ccc(-c3cc(C#N)ccc3C)c3c4ccccc4n5c23)c1.c1ccc2c(c1)c1ccccc1n2-c1ccc2c3cc4c(cc3n3c5ccccc5c1c23)c1ccc(-n2c3ccccc3c3ccccc32)c2c3ccccc3n4c12.c1ccc2c(c1)cc1c3cc4c(cc3n3c5ccccc5c2c13)c1cc2ccccc2c2c3ccccc3n4c12.c1ccc2c(c1)cc1c3ccccc3n3c4cc5c6c7ccccc7cc7c8ccccc8n(c5cc4c2c13)c76
InChIInChI=1S/C70H62N4.C54H30N4.C48H30N4.C46H26N4.C44H22N4.2C38H20N2.C36H32N2Si2.C32H20N2/c1-67(2,3)39-21-27-55-47(33-39)48-34-40(68(4,5)6)22-28-56(48)71(55)59-31-25-43-51-37-62-52(38-61(51)73-53-19-15-13-17-45(53)63(59)65(43)73)44-26-32-60(64-46-18-14-16-20-54(46)74(62)66(44)64)72-57-29-23-41(69(7,8)9)35-49(57)50-36-42(70(10,11)12)24-30-58(50)72;1-7-19-41-31(13-1)32-14-2-8-20-42(32)55(41)47-27-25-35-39-29-50-40(30-49(39)57-45-23-11-5-17-37(45)51(47)53(35)57)36-26-28-48(52-38-18-6-12-24-46(38)58(50)54(36)52)56-43-21-9-3-15-33(43)34-16-4-10-22-44(34)56;1-25-17-29(23-49)18-26(2)43(25)35-15-13-31-37-21-42-38(22-41(37)51-39-11-7-5-9-33(39)45(35)47(31)51)32-14-16-36(44-27(3)19-30(24-50)20-28(44)4)46-34-10-6-8-12-40(34)52(42)48(32)46;1-25-12-14-27(24-47)20-35(25)29-16-18-31-37-22-42-38(23-41(37)49-39-10-6-4-8-33(39)43(29)45(31)49)32-19-17-30(36-21-28(48-3)15-13-26(36)2)44-34-9-5-7-11-40(34)50(42)46(32)44;45-23-25-9-13-27(14-10-25)29-17-19-31-35-22-40-36(21-39(35)47-37-7-3-1-5-33(37)41(29)43(31)47)32-20-18-30(28-15-11-26(24-46)12-16-28)42-34-6-2-4-8-38(34)48(40)44(32)42;1-3-11-23-21(9-1)17-29-27-19-34-28(20-33(27)39-31-15-7-5-13-25(31)35(23)37(29)39)30-18-22-10-2-4-12-24(22)36-26-14-6-8-16-32(26)40(34)38(30)36;1-3-11-23-21(9-1)17-27-25-13-5-7-15-31(25)39-33-20-30-34(19-29(33)35(23)37(27)39)40-32-16-8-6-14-26(32)28-18-22-10-2-4-12-24(22)36(30)38(28)40;1-39(2,3)31-17-15-21-25-19-30-26(20-29(25)37-27-13-9-7-11-23(27)33(31)35(21)37)22-16-18-32(40(4,5)6)34-24-12-8-10-14-28(24)38(30)36(22)34;1-17-11-13-19-23-15-28-24(16-27(23)33-25-9-5-3-7-21(25)29(17)31(19)33)20-14-12-18(2)30-22-8-4-6-10-26(22)34(28)32(20)30/h13-38H,1-12H3;1-30H;5-22H,1-4H3;4-23H,1-2H3;1-22H;2*1-20H;7-20H,1-6H3;3-16H,1-2H3
InChIKeyNKNGDPFGQAXOIM-UHFFFAOYSA-N
XLogP107.54
TPSA222.41 Ų
H-Bond Donors
H-Bond Acceptors27
Rotatable Bonds12
Heavy Atoms436
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005588.93
LogP ≤ 5107.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1027

Analyze 13,28-bis(3,6-ditert-butylcarbazol-9-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;4-[28-(4-cyano-2,6-dimethylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2(19),3,6,8,10,12,14,16(32),17,21,23,25,27,29-pentadecaen-13-yl]-3,5-dimethylbenzonitrile;4-[28-(4-cyanophenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2(19),3,6,8,10,12,14,16(32),17,21,23,25,27,29-pentadecaen-13-yl]benzonitrile;5,24-diazaundecacyclo[22.14.1.15,12.02,23.04,21.06,11.013,18.025,30.031,39.032,37.020,40]tetraconta-1(38),2,4(21),6,8,10,12(40),13,15,17,19,22,25,27,29,31(39),32,34,36-nonadecaene;5,24-diazaundecacyclo[22.14.1.15,12.02,23.04,21.06,11.014,19.025,30.031,39.033,38.020,40]tetraconta-1(39),2,4(21),6,8,10,12,14,16,18,20(40),22,25,27,29,31,33,35,37-nonadecaene;13,28-di(carbazol-9-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;13,28-dimethyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;3-[28-(5-isocyano-2-methylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2(19),3,6,8,10,12,14,16(32),17,21,23,25,27,29-pentadecaen-13-yl]-4-methylbenzonitrile;trimethyl-(28-trimethylsilyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2(19),3,6,8,10,12,14,16(32),17,21,23,25,27,29-pentadecaen-13-yl)silane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 13,28-bis(3,6-ditert-butylcarbazol-9-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;4-[28-(4-cyano-2,6-dimethylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2(19),3,6,8,10,12,14,16(32),17,21,23,25,27,29-pentadecaen-13-yl]-3,5-dimethylbenzonitrile;4-[28-(4-cyanophenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2(19),3,6,8,10,12,14,16(32),17,21,23,25,27,29-pentadecaen-13-yl]benzonitrile;5,24-diazaundecacyclo[22.14.1.15,12.02,23.04,21.06,11.013,18.025,30.031,39.032,37.020,40]tetraconta-1(38),2,4(21),6,8,10,12(40),13,15,17,19,22,25,27,29,31(39),32,34,36-nonadecaene;5,24-diazaundecacyclo[22.14.1.15,12.02,23.04,21.06,11.014,19.025,30.031,39.033,38.020,40]tetraconta-1(39),2,4(21),6,8,10,12,14,16,18,20(40),22,25,27,29,31,33,35,37-nonadecaene;13,28-di(carbazol-9-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;13,28-dimethyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;3-[28-(5-isocyano-2-methylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2(19),3,6,8,10,12,14,16(32),17,21,23,25,27,29-pentadecaen-13-yl]-4-methylbenzonitrile;trimethyl-(28-trimethylsilyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2(19),3,6,8,10,12,14,16(32),17,21,23,25,27,29-pentadecaen-13-yl)silane?
The IUPAC name of 13,28-bis(3,6-ditert-butylcarbazol-9-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;4-[28-(4-cyano-2,6-dimethylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2(19),3,6,8,10,12,14,16(32),17,21,23,25,27,29-pentadecaen-13-yl]-3,5-dimethylbenzonitrile;4-[28-(4-cyanophenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2(19),3,6,8,10,12,14,16(32),17,21,23,25,27,29-pentadecaen-13-yl]benzonitrile;5,24-diazaundecacyclo[22.14.1.15,12.02,23.04,21.06,11.013,18.025,30.031,39.032,37.020,40]tetraconta-1(38),2,4(21),6,8,10,12(40),13,15,17,19,22,25,27,29,31(39),32,34,36-nonadecaene;5,24-diazaundecacyclo[22.14.1.15,12.02,23.04,21.06,11.014,19.025,30.031,39.033,38.020,40]tetraconta-1(39),2,4(21),6,8,10,12,14,16,18,20(40),22,25,27,29,31,33,35,37-nonadecaene;13,28-di(carbazol-9-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;13,28-dimethyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;3-[28-(5-isocyano-2-methylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2(19),3,6,8,10,12,14,16(32),17,21,23,25,27,29-pentadecaen-13-yl]-4-methylbenzonitrile;trimethyl-(28-trimethylsilyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2(19),3,6,8,10,12,14,16(32),17,21,23,25,27,29-pentadecaen-13-yl)silane (CID 159806968) is 13,28-bis(3,6-ditert-butylcarbazol-9-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;4-[28-(4-cyano-2,6-dimethylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2(19),3,6,8,10,12,14,16(32),17,21,23,25,27,29-pentadecaen-13-yl]-3,5-dimethylbenzonitrile;4-[28-(4-cyanophenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2(19),3,6,8,10,12,14,16(32),17,21,23,25,27,29-pentadecaen-13-yl]benzonitrile;5,24-diazaundecacyclo[22.14.1.15,12.02,23.04,21.06,11.013,18.025,30.031,39.032,37.020,40]tetraconta-1(38),2,4(21),6,8,10,12(40),13,15,17,19,22,25,27,29,31(39),32,34,36-nonadecaene;5,24-diazaundecacyclo[22.14.1.15,12.02,23.04,21.06,11.014,19.025,30.031,39.033,38.020,40]tetraconta-1(39),2,4(21),6,8,10,12,14,16,18,20(40),22,25,27,29,31,33,35,37-nonadecaene;13,28-di(carbazol-9-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;13,28-dimethyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;3-[28-(5-isocyano-2-methylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2(19),3,6,8,10,12,14,16(32),17,21,23,25,27,29-pentadecaen-13-yl]-4-methylbenzonitrile;trimethyl-(28-trimethylsilyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2(19),3,6,8,10,12,14,16(32),17,21,23,25,27,29-pentadecaen-13-yl)silane.
What is the SMILES notation for 13,28-bis(3,6-ditert-butylcarbazol-9-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;4-[28-(4-cyano-2,6-dimethylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2(19),3,6,8,10,12,14,16(32),17,21,23,25,27,29-pentadecaen-13-yl]-3,5-dimethylbenzonitrile;4-[28-(4-cyanophenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2(19),3,6,8,10,12,14,16(32),17,21,23,25,27,29-pentadecaen-13-yl]benzonitrile;5,24-diazaundecacyclo[22.14.1.15,12.02,23.04,21.06,11.013,18.025,30.031,39.032,37.020,40]tetraconta-1(38),2,4(21),6,8,10,12(40),13,15,17,19,22,25,27,29,31(39),32,34,36-nonadecaene;5,24-diazaundecacyclo[22.14.1.15,12.02,23.04,21.06,11.014,19.025,30.031,39.033,38.020,40]tetraconta-1(39),2,4(21),6,8,10,12,14,16,18,20(40),22,25,27,29,31,33,35,37-nonadecaene;13,28-di(carbazol-9-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;13,28-dimethyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;3-[28-(5-isocyano-2-methylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2(19),3,6,8,10,12,14,16(32),17,21,23,25,27,29-pentadecaen-13-yl]-4-methylbenzonitrile;trimethyl-(28-trimethylsilyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2(19),3,6,8,10,12,14,16(32),17,21,23,25,27,29-pentadecaen-13-yl)silane?
The canonical SMILES for 13,28-bis(3,6-ditert-butylcarbazol-9-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;4-[28-(4-cyano-2,6-dimethylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2(19),3,6,8,10,12,14,16(32),17,21,23,25,27,29-pentadecaen-13-yl]-3,5-dimethylbenzonitrile;4-[28-(4-cyanophenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2(19),3,6,8,10,12,14,16(32),17,21,23,25,27,29-pentadecaen-13-yl]benzonitrile;5,24-diazaundecacyclo[22.14.1.15,12.02,23.04,21.06,11.013,18.025,30.031,39.032,37.020,40]tetraconta-1(38),2,4(21),6,8,10,12(40),13,15,17,19,22,25,27,29,31(39),32,34,36-nonadecaene;5,24-diazaundecacyclo[22.14.1.15,12.02,23.04,21.06,11.014,19.025,30.031,39.033,38.020,40]tetraconta-1(39),2,4(21),6,8,10,12,14,16,18,20(40),22,25,27,29,31,33,35,37-nonadecaene;13,28-di(carbazol-9-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;13,28-dimethyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;3-[28-(5-isocyano-2-methylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2(19),3,6,8,10,12,14,16(32),17,21,23,25,27,29-pentadecaen-13-yl]-4-methylbenzonitrile;trimethyl-(28-trimethylsilyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2(19),3,6,8,10,12,14,16(32),17,21,23,25,27,29-pentadecaen-13-yl)silane is CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc2c3cc4c(cc3n3c5ccccc5c1c23)c1ccc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)c2c3ccccc3n4c12.C[Si](C)(C)c1ccc2c3cc4c(cc3n3c5ccccc5c1c23)c1ccc([Si](C)(C)C)c2c3ccccc3n4c12.Cc1cc(C#N)cc(C)c1-c1ccc2c3cc4c(cc3n3c5ccccc5c1c23)c1ccc(-c2c(C)cc(C#N)cc2C)c2c3ccccc3n4c12.Cc1ccc2c3cc4c(cc3n3c5ccccc5c1c23)c1ccc(C)c2c3ccccc3n4c12.N#Cc1ccc(-c2ccc3c4cc5c(cc4n4c6ccccc6c2c34)c2ccc(-c3ccc(C#N)cc3)c3c4ccccc4n5c23)cc1.[C-]#[N+]c1ccc(C)c(-c2ccc3c4cc5c(cc4n4c6ccccc6c2c34)c2ccc(-c3cc(C#N)ccc3C)c3c4ccccc4n5c23)c1.c1ccc2c(c1)c1ccccc1n2-c1ccc2c3cc4c(cc3n3c5ccccc5c1c23)c1ccc(-n2c3ccccc3c3ccccc32)c2c3ccccc3n4c12.c1ccc2c(c1)cc1c3cc4c(cc3n3c5ccccc5c2c13)c1cc2ccccc2c2c3ccccc3n4c12.c1ccc2c(c1)cc1c3ccccc3n3c4cc5c6c7ccccc7cc7c8ccccc8n(c5cc4c2c13)c76.
What is the InChIKey of 13,28-bis(3,6-ditert-butylcarbazol-9-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;4-[28-(4-cyano-2,6-dimethylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2(19),3,6,8,10,12,14,16(32),17,21,23,25,27,29-pentadecaen-13-yl]-3,5-dimethylbenzonitrile;4-[28-(4-cyanophenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2(19),3,6,8,10,12,14,16(32),17,21,23,25,27,29-pentadecaen-13-yl]benzonitrile;5,24-diazaundecacyclo[22.14.1.15,12.02,23.04,21.06,11.013,18.025,30.031,39.032,37.020,40]tetraconta-1(38),2,4(21),6,8,10,12(40),13,15,17,19,22,25,27,29,31(39),32,34,36-nonadecaene;5,24-diazaundecacyclo[22.14.1.15,12.02,23.04,21.06,11.014,19.025,30.031,39.033,38.020,40]tetraconta-1(39),2,4(21),6,8,10,12,14,16,18,20(40),22,25,27,29,31,33,35,37-nonadecaene;13,28-di(carbazol-9-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;13,28-dimethyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;3-[28-(5-isocyano-2-methylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2(19),3,6,8,10,12,14,16(32),17,21,23,25,27,29-pentadecaen-13-yl]-4-methylbenzonitrile;trimethyl-(28-trimethylsilyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2(19),3,6,8,10,12,14,16(32),17,21,23,25,27,29-pentadecaen-13-yl)silane?
The InChIKey is NKNGDPFGQAXOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H62N4.C54H30N4.C48H30N4.C46H26N4.C44H22N4.2C38H20N2.C36H32N2Si2.C32H20N2/c1-67(2,3)39-21-27-55-47(33-39)48-34-40(68(4,5)6)22-28-56(48)71(55)59-31-25-43-51-37-62-52(38-61(51)73-53-19-15-13-17-45(53)63(59)65(43)73)44-26-32-60(64-46-18-14-16-20-54(46)74(62)66(44)64)72-57-29-23-41(69(7,8)9)35-49(57)50-36-42(70(10,11)12)24-30-58(50)72;1-7-19-41-31(13-1)32-14-2-8-20-42(32)55(41)47-27-25-35-39-29-50-40(30-49(39)57-45-23-11-5-17-37(45)51(47)53(35)57)36-26-28-48(52-38-18-6-12-24-46(38)58(50)54(36)52)56-43-21-9-3-15-33(43)34-16-4-10-22-44(34)56;1-25-17-29(23-49)18-26(2)43(25)35-15-13-31-37-21-42-38(22-41(37)51-39-11-7-5-9-33(39)45(35)47(31)51)32-14-16-36(44-27(3)19-30(24-50)20-28(44)4)46-34-10-6-8-12-40(34)52(42)48(32)46;1-25-12-14-27(24-47)20-35(25)29-16-18-31-37-22-42-38(23-41(37)49-39-10-6-4-8-33(39)43(29)45(31)49)32-19-17-30(36-21-28(48-3)15-13-26(36)2)44-34-9-5-7-11-40(34)50(42)46(32)44;45-23-25-9-13-27(14-10-25)29-17-19-31-35-22-40-36(21-39(35)47-37-7-3-1-5-33(37)41(29)43(31)47)32-20-18-30(28-15-11-26(24-46)12-16-28)42-34-6-2-4-8-38(34)48(40)44(32)42;1-3-11-23-21(9-1)17-29-27-19-34-28(20-33(27)39-31-15-7-5-13-25(31)35(23)37(29)39)30-18-22-10-2-4-12-24(22)36-26-14-6-8-16-32(26)40(34)38(30)36;1-3-11-23-21(9-1)17-27-25-13-5-7-15-31(25)39-33-20-30-34(19-29(33)35(23)37(27)39)40-32-16-8-6-14-26(32)28-18-22-10-2-4-12-24(22)36(30)38(28)40;1-39(2,3)31-17-15-21-25-19-30-26(20-29(25)37-27-13-9-7-11-23(27)33(31)35(21)37)22-16-18-32(40(4,5)6)34-24-12-8-10-14-28(24)38(30)36(22)34;1-17-11-13-19-23-15-28-24(16-27(23)33-25-9-5-3-7-21(25)29(17)31(19)33)20-14-12-18(2)30-22-8-4-6-10-26(22)34(28)32(20)30/h13-38H,1-12H3;1-30H;5-22H,1-4H3;4-23H,1-2H3;1-22H;2*1-20H;7-20H,1-6H3;3-16H,1-2H3.
What are the key properties of 13,28-bis(3,6-ditert-butylcarbazol-9-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;4-[28-(4-cyano-2,6-dimethylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2(19),3,6,8,10,12,14,16(32),17,21,23,25,27,29-pentadecaen-13-yl]-3,5-dimethylbenzonitrile;4-[28-(4-cyanophenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2(19),3,6,8,10,12,14,16(32),17,21,23,25,27,29-pentadecaen-13-yl]benzonitrile;5,24-diazaundecacyclo[22.14.1.15,12.02,23.04,21.06,11.013,18.025,30.031,39.032,37.020,40]tetraconta-1(38),2,4(21),6,8,10,12(40),13,15,17,19,22,25,27,29,31(39),32,34,36-nonadecaene;5,24-diazaundecacyclo[22.14.1.15,12.02,23.04,21.06,11.014,19.025,30.031,39.033,38.020,40]tetraconta-1(39),2,4(21),6,8,10,12,14,16,18,20(40),22,25,27,29,31,33,35,37-nonadecaene;13,28-di(carbazol-9-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;13,28-dimethyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;3-[28-(5-isocyano-2-methylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2(19),3,6,8,10,12,14,16(32),17,21,23,25,27,29-pentadecaen-13-yl]-4-methylbenzonitrile;trimethyl-(28-trimethylsilyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2(19),3,6,8,10,12,14,16(32),17,21,23,25,27,29-pentadecaen-13-yl)silane?
13,28-bis(3,6-ditert-butylcarbazol-9-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;4-[28-(4-cyano-2,6-dimethylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2(19),3,6,8,10,12,14,16(32),17,21,23,25,27,29-pentadecaen-13-yl]-3,5-dimethylbenzonitrile;4-[28-(4-cyanophenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2(19),3,6,8,10,12,14,16(32),17,21,23,25,27,29-pentadecaen-13-yl]benzonitrile;5,24-diazaundecacyclo[22.14.1.15,12.02,23.04,21.06,11.013,18.025,30.031,39.032,37.020,40]tetraconta-1(38),2,4(21),6,8,10,12(40),13,15,17,19,22,25,27,29,31(39),32,34,36-nonadecaene;5,24-diazaundecacyclo[22.14.1.15,12.02,23.04,21.06,11.014,19.025,30.031,39.033,38.020,40]tetraconta-1(39),2,4(21),6,8,10,12,14,16,18,20(40),22,25,27,29,31,33,35,37-nonadecaene;13,28-di(carbazol-9-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;13,28-dimethyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;3-[28-(5-isocyano-2-methylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2(19),3,6,8,10,12,14,16(32),17,21,23,25,27,29-pentadecaen-13-yl]-4-methylbenzonitrile;trimethyl-(28-trimethylsilyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2(19),3,6,8,10,12,14,16(32),17,21,23,25,27,29-pentadecaen-13-yl)silane has a molecular weight of 5588.93 g/mol, XLogP of 107.54, 12 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 13,28-bis(3,6-ditert-butylcarbazol-9-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;4-[28-(4-cyano-2,6-dimethylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2(19),3,6,8,10,12,14,16(32),17,21,23,25,27,29-pentadecaen-13-yl]-3,5-dimethylbenzonitrile;4-[28-(4-cyanophenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2(19),3,6,8,10,12,14,16(32),17,21,23,25,27,29-pentadecaen-13-yl]benzonitrile;5,24-diazaundecacyclo[22.14.1.15,12.02,23.04,21.06,11.013,18.025,30.031,39.032,37.020,40]tetraconta-1(38),2,4(21),6,8,10,12(40),13,15,17,19,22,25,27,29,31(39),32,34,36-nonadecaene;5,24-diazaundecacyclo[22.14.1.15,12.02,23.04,21.06,11.014,19.025,30.031,39.033,38.020,40]tetraconta-1(39),2,4(21),6,8,10,12,14,16,18,20(40),22,25,27,29,31,33,35,37-nonadecaene;13,28-di(carbazol-9-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;13,28-dimethyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;3-[28-(5-isocyano-2-methylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2(19),3,6,8,10,12,14,16(32),17,21,23,25,27,29-pentadecaen-13-yl]-4-methylbenzonitrile;trimethyl-(28-trimethylsilyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2(19),3,6,8,10,12,14,16(32),17,21,23,25,27,29-pentadecaen-13-yl)silane is sourced from PubChem (CID 159806968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).