About 9-N,24-N-bis(6-ethyldibenzofuran-4-yl)-9-N,24-N,3,18-tetraphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-9,24-diamine;9-N,24-N-bis(6-methyldibenzofuran-4-yl)-9-N,24-N,3,18-tetraphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-9,24-diamine;4-(N-[24-(N-(4-isocyanophenyl)-4-methylanilino)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaen-9-yl]-4-trimethylsilylanilino)benzonitrile
9-N,24-N-bis(6-ethyldibenzofuran-4-yl)-9-N,24-N,3,18-tetraphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-9,24-diamine;9-N,24-N-bis(6-methyldibenzofuran-4-yl)-9-N,24-N,3,18-tetraphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-9,24-diamine;4-(N-[24-(N-(4-isocyanophenyl)-4-methylanilino)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaen-9-yl]-4-trimethylsilylanilino)benzonitrile (PubChem CID 159743564) has the molecular formula C234H154N14O4Si
and a molecular weight of 3253.99 g/mol. Its IUPAC name is 9-N,24-N-bis(6-ethyldibenzofuran-4-yl)-9-N,24-N,3,18-tetraphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-9,24-diamine;9-N,24-N-bis(6-methyldibenzofuran-4-yl)-9-N,24-N,3,18-tetraphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-9,24-diamine;4-(N-[24-(N-(4-isocyanophenyl)-4-methylanilino)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaen-9-yl]-4-trimethylsilylanilino)benzonitrile.
Frequently Asked Questions
What is the IUPAC name of 9-N,24-N-bis(6-ethyldibenzofuran-4-yl)-9-N,24-N,3,18-tetraphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-9,24-diamine;9-N,24-N-bis(6-methyldibenzofuran-4-yl)-9-N,24-N,3,18-tetraphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-9,24-diamine;4-(N-[24-(N-(4-isocyanophenyl)-4-methylanilino)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaen-9-yl]-4-trimethylsilylanilino)benzonitrile?
The IUPAC name of 9-N,24-N-bis(6-ethyldibenzofuran-4-yl)-9-N,24-N,3,18-tetraphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-9,24-diamine;9-N,24-N-bis(6-methyldibenzofuran-4-yl)-9-N,24-N,3,18-tetraphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-9,24-diamine;4-(N-[24-(N-(4-isocyanophenyl)-4-methylanilino)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaen-9-yl]-4-trimethylsilylanilino)benzonitrile (CID 159743564) is 9-N,24-N-bis(6-ethyldibenzofuran-4-yl)-9-N,24-N,3,18-tetraphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-9,24-diamine;9-N,24-N-bis(6-methyldibenzofuran-4-yl)-9-N,24-N,3,18-tetraphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-9,24-diamine;4-(N-[24-(N-(4-isocyanophenyl)-4-methylanilino)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaen-9-yl]-4-trimethylsilylanilino)benzonitrile.
What is the SMILES notation for 9-N,24-N-bis(6-ethyldibenzofuran-4-yl)-9-N,24-N,3,18-tetraphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-9,24-diamine;9-N,24-N-bis(6-methyldibenzofuran-4-yl)-9-N,24-N,3,18-tetraphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-9,24-diamine;4-(N-[24-(N-(4-isocyanophenyl)-4-methylanilino)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaen-9-yl]-4-trimethylsilylanilino)benzonitrile?
The canonical SMILES for 9-N,24-N-bis(6-ethyldibenzofuran-4-yl)-9-N,24-N,3,18-tetraphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-9,24-diamine;9-N,24-N-bis(6-methyldibenzofuran-4-yl)-9-N,24-N,3,18-tetraphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-9,24-diamine;4-(N-[24-(N-(4-isocyanophenyl)-4-methylanilino)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaen-9-yl]-4-trimethylsilylanilino)benzonitrile is CCc1cccc2c1oc1c(N(c3ccccc3)c3ccc4c(c3)c3cccc5c6c(-c7ccccc7)c7c(c(-c8ccccc8)c6n4c35)c3cccc4c5cc(N(c6ccccc6)c6cccc8c6oc6c(CC)cccc68)ccc5n7c43)cccc12.Cc1cccc2c1oc1c(N(c3ccccc3)c3ccc4c(c3)c3cccc5c6c(-c7ccccc7)c7c(c(-c8ccccc8)c6n4c35)c3cccc4c5cc(N(c6ccccc6)c6cccc8c6oc6c(C)cccc68)ccc5n7c43)cccc12.[C-]#[N+]c1ccc(N(c2ccc(C)cc2)c2ccc3c(c2)c2cccc4c5c(-c6ccccc6)c6c(c(-c7ccccc7)c5n3c24)c2cccc3c4cc(N(c5ccc(C#N)cc5)c5ccc([Si](C)(C)C)cc5)ccc4n6c32)cc1.
What is the InChIKey of 9-N,24-N-bis(6-ethyldibenzofuran-4-yl)-9-N,24-N,3,18-tetraphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-9,24-diamine;9-N,24-N-bis(6-methyldibenzofuran-4-yl)-9-N,24-N,3,18-tetraphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-9,24-diamine;4-(N-[24-(N-(4-isocyanophenyl)-4-methylanilino)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaen-9-yl]-4-trimethylsilylanilino)benzonitrile?
The InChIKey is NCTNNVMQIBJFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H54N4O2.C80H50N4O2.C72H50N6Si/c1-3-49-27-17-35-59-61-37-21-41-69(81(61)87-79(49)59)83(53-29-13-7-14-30-53)55-43-45-67-65(47-55)57-33-19-39-63-73-72(52-25-11-6-12-26-52)78-74(71(51-23-9-5-10-24-51)77(73)85(67)75(57)63)64-40-20-34-58-66-48-56(44-46-68(66)86(78)76(58)64)84(54-31-15-8-16-32-54)70-42-22-38-62-60-36-18-28-50(4-2)80(60)88-82(62)70;1-47-21-15-33-57-59-35-19-39-67(79(59)85-77(47)57)81(51-27-11-5-12-28-51)53-41-43-65-63(45-53)55-31-17-37-61-71-70(50-25-9-4-10-26-50)76-72(69(49-23-7-3-8-24-49)75(71)83(65)73(55)61)62-38-18-32-56-64-46-54(42-44-66(64)84(76)74(56)62)82(52-29-13-6-14-30-52)68-40-20-36-60-58-34-16-22-48(2)78(58)86-80(60)68;1-45-22-28-50(29-23-45)75(52-32-26-49(74-2)27-33-52)54-36-40-63-61(42-54)57-18-12-20-59-67-66(48-16-10-7-11-17-48)72-68(65(47-14-8-6-9-15-47)71(67)77(63)69(57)59)60-21-13-19-58-62-43-55(37-41-64(62)78(72)70(58)60)76(51-30-24-46(44-73)25-31-51)53-34-38-56(39-35-53)79(3,4)5/h5-48H,3-4H2,1-2H3;3-46H,1-2H3;6-43H,1,3-5H3.
What are the key properties of 9-N,24-N-bis(6-ethyldibenzofuran-4-yl)-9-N,24-N,3,18-tetraphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-9,24-diamine;9-N,24-N-bis(6-methyldibenzofuran-4-yl)-9-N,24-N,3,18-tetraphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-9,24-diamine;4-(N-[24-(N-(4-isocyanophenyl)-4-methylanilino)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaen-9-yl]-4-trimethylsilylanilino)benzonitrile?
9-N,24-N-bis(6-ethyldibenzofuran-4-yl)-9-N,24-N,3,18-tetraphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-9,24-diamine;9-N,24-N-bis(6-methyldibenzofuran-4-yl)-9-N,24-N,3,18-tetraphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-9,24-diamine;4-(N-[24-(N-(4-isocyanophenyl)-4-methylanilino)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaen-9-yl]-4-trimethylsilylanilino)benzonitrile has a molecular weight of 3253.99 g/mol, XLogP of 65.40, 27 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 9-N,24-N-bis(6-ethyldibenzofuran-4-yl)-9-N,24-N,3,18-tetraphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-9,24-diamine;9-N,24-N-bis(6-methyldibenzofuran-4-yl)-9-N,24-N,3,18-tetraphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-9,24-diamine;4-(N-[24-(N-(4-isocyanophenyl)-4-methylanilino)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaen-9-yl]-4-trimethylsilylanilino)benzonitrile is sourced from PubChem (CID 159743564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).