About 5-N,20-N-bis(6-tert-butyldibenzofuran-4-yl)-5-N,20-N-bis(2-methylphenyl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaene-5,20-diamine;6-N,21-N-bis(2-methylphenyl)-6-N,21-N-diphenyl-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1,3(8),4,6,10,12,14,16(32),17(31),18(23),19,21,25,27,29-pentadecaene-6,21-diamine;N-(3-methyldibenzofuran-4-yl)-20-[(3-methyldibenzofuran-4-yl)-(2-methyl-5-phenylphenyl)methyl]-N-(2-methyl-5-phenylphenyl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaen-5-amine;6-N,6-N,21-N,21-N-tetraphenyl-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1,3(8),4,6,10,12,14,16(32),17(31),18(23),19,21,25,27,29-pentadecaene-6,21-diamine
5-N,20-N-bis(6-tert-butyldibenzofuran-4-yl)-5-N,20-N-bis(2-methylphenyl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaene-5,20-diamine;6-N,21-N-bis(2-methylphenyl)-6-N,21-N-diphenyl-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1,3(8),4,6,10,12,14,16(32),17(31),18(23),19,21,25,27,29-pentadecaene-6,21-diamine;N-(3-methyldibenzofuran-4-yl)-20-[(3-methyldibenzofuran-4-yl)-(2-methyl-5-phenylphenyl)methyl]-N-(2-methyl-5-phenylphenyl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaen-5-amine;6-N,6-N,21-N,21-N-tetraphenyl-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1,3(8),4,6,10,12,14,16(32),17(31),18(23),19,21,25,27,29-pentadecaene-6,21-diamine (PubChem CID 162167747) has the molecular formula C269H185N15O4
and a molecular weight of 3691.54 g/mol. Its IUPAC name is 5-N,20-N-bis(6-tert-butyldibenzofuran-4-yl)-5-N,20-N-bis(2-methylphenyl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaene-5,20-diamine;6-N,21-N-bis(2-methylphenyl)-6-N,21-N-diphenyl-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1,3(8),4,6,10,12,14,16(32),17(31),18(23),19,21,25,27,29-pentadecaene-6,21-diamine;N-(3-methyldibenzofuran-4-yl)-20-[(3-methyldibenzofuran-4-yl)-(2-methyl-5-phenylphenyl)methyl]-N-(2-methyl-5-phenylphenyl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaen-5-amine;6-N,6-N,21-N,21-N-tetraphenyl-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1,3(8),4,6,10,12,14,16(32),17(31),18(23),19,21,25,27,29-pentadecaene-6,21-diamine.
Frequently Asked Questions
What is the IUPAC name of 5-N,20-N-bis(6-tert-butyldibenzofuran-4-yl)-5-N,20-N-bis(2-methylphenyl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaene-5,20-diamine;6-N,21-N-bis(2-methylphenyl)-6-N,21-N-diphenyl-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1,3(8),4,6,10,12,14,16(32),17(31),18(23),19,21,25,27,29-pentadecaene-6,21-diamine;N-(3-methyldibenzofuran-4-yl)-20-[(3-methyldibenzofuran-4-yl)-(2-methyl-5-phenylphenyl)methyl]-N-(2-methyl-5-phenylphenyl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaen-5-amine;6-N,6-N,21-N,21-N-tetraphenyl-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1,3(8),4,6,10,12,14,16(32),17(31),18(23),19,21,25,27,29-pentadecaene-6,21-diamine?
The IUPAC name of 5-N,20-N-bis(6-tert-butyldibenzofuran-4-yl)-5-N,20-N-bis(2-methylphenyl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaene-5,20-diamine;6-N,21-N-bis(2-methylphenyl)-6-N,21-N-diphenyl-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1,3(8),4,6,10,12,14,16(32),17(31),18(23),19,21,25,27,29-pentadecaene-6,21-diamine;N-(3-methyldibenzofuran-4-yl)-20-[(3-methyldibenzofuran-4-yl)-(2-methyl-5-phenylphenyl)methyl]-N-(2-methyl-5-phenylphenyl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaen-5-amine;6-N,6-N,21-N,21-N-tetraphenyl-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1,3(8),4,6,10,12,14,16(32),17(31),18(23),19,21,25,27,29-pentadecaene-6,21-diamine (CID 162167747) is 5-N,20-N-bis(6-tert-butyldibenzofuran-4-yl)-5-N,20-N-bis(2-methylphenyl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaene-5,20-diamine;6-N,21-N-bis(2-methylphenyl)-6-N,21-N-diphenyl-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1,3(8),4,6,10,12,14,16(32),17(31),18(23),19,21,25,27,29-pentadecaene-6,21-diamine;N-(3-methyldibenzofuran-4-yl)-20-[(3-methyldibenzofuran-4-yl)-(2-methyl-5-phenylphenyl)methyl]-N-(2-methyl-5-phenylphenyl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaen-5-amine;6-N,6-N,21-N,21-N-tetraphenyl-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1,3(8),4,6,10,12,14,16(32),17(31),18(23),19,21,25,27,29-pentadecaene-6,21-diamine.
What is the SMILES notation for 5-N,20-N-bis(6-tert-butyldibenzofuran-4-yl)-5-N,20-N-bis(2-methylphenyl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaene-5,20-diamine;6-N,21-N-bis(2-methylphenyl)-6-N,21-N-diphenyl-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1,3(8),4,6,10,12,14,16(32),17(31),18(23),19,21,25,27,29-pentadecaene-6,21-diamine;N-(3-methyldibenzofuran-4-yl)-20-[(3-methyldibenzofuran-4-yl)-(2-methyl-5-phenylphenyl)methyl]-N-(2-methyl-5-phenylphenyl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaen-5-amine;6-N,6-N,21-N,21-N-tetraphenyl-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1,3(8),4,6,10,12,14,16(32),17(31),18(23),19,21,25,27,29-pentadecaene-6,21-diamine?
The canonical SMILES for 5-N,20-N-bis(6-tert-butyldibenzofuran-4-yl)-5-N,20-N-bis(2-methylphenyl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaene-5,20-diamine;6-N,21-N-bis(2-methylphenyl)-6-N,21-N-diphenyl-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1,3(8),4,6,10,12,14,16(32),17(31),18(23),19,21,25,27,29-pentadecaene-6,21-diamine;N-(3-methyldibenzofuran-4-yl)-20-[(3-methyldibenzofuran-4-yl)-(2-methyl-5-phenylphenyl)methyl]-N-(2-methyl-5-phenylphenyl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaen-5-amine;6-N,6-N,21-N,21-N-tetraphenyl-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1,3(8),4,6,10,12,14,16(32),17(31),18(23),19,21,25,27,29-pentadecaene-6,21-diamine is Cc1ccc(-c2ccccc2)cc1C(c1ccc2c(c1)c1c3c4ccccc4n4c5ccc(N(c6cc(-c7ccccc7)ccc6C)c6c(C)ccc7c6oc6ccccc67)cc5c(c5c6ccccc6n2c51)c34)c1c(C)ccc2c1oc1ccccc12.Cc1ccccc1N(c1ccc2c(c1)c1c3c4ccccc4n4c5ccc(N(c6ccccc6C)c6cccc7c6oc6c(C(C)(C)C)cccc67)cc5c(c5c6ccccc6n2c51)c34)c1cccc2c1oc1c(C(C)(C)C)cccc12.Cc1ccccc1N(c1ccccc1)c1ccc2c3c4c5ccccc5n5c6cc(N(c7ccccc7)c7ccccc7C)ccc6c(c6c7ccccc7n(c2c1)c63)c45.c1ccc(N(c2ccccc2)c2ccc3c4c5c6ccccc6n6c7cc(N(c8ccccc8)c8ccccc8)ccc7c(c7c8ccccc8n(c3c2)c74)c56)cc1.
What is the InChIKey of 5-N,20-N-bis(6-tert-butyldibenzofuran-4-yl)-5-N,20-N-bis(2-methylphenyl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaene-5,20-diamine;6-N,21-N-bis(2-methylphenyl)-6-N,21-N-diphenyl-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1,3(8),4,6,10,12,14,16(32),17(31),18(23),19,21,25,27,29-pentadecaene-6,21-diamine;N-(3-methyldibenzofuran-4-yl)-20-[(3-methyldibenzofuran-4-yl)-(2-methyl-5-phenylphenyl)methyl]-N-(2-methyl-5-phenylphenyl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaen-5-amine;6-N,6-N,21-N,21-N-tetraphenyl-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1,3(8),4,6,10,12,14,16(32),17(31),18(23),19,21,25,27,29-pentadecaene-6,21-diamine?
The InChIKey is ZNJCEAMBGIIXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C83H55N3O2.C76H58N4O2.C56H38N4.C54H34N4/c1-47-31-35-53(51-19-7-5-8-20-51)43-63(47)74(73-49(3)33-39-59-57-23-13-17-29-71(57)87-82(59)73)55-37-41-68-64(44-55)77-75-61-25-11-16-28-67(61)86-69-42-38-56(46-65(69)78(81(75)86)76-62-26-12-15-27-66(62)85(68)80(76)77)84(70-45-54(36-32-48(70)2)52-21-9-6-10-22-52)79-50(4)34-40-60-58-24-14-18-30-72(58)88-83(60)79;1-43-21-9-13-31-57(43)77(63-35-19-27-49-47-25-17-29-55(75(3,4)5)71(47)81-73(49)63)45-37-39-61-53(41-45)67-65-51-23-11-16-34-60(51)80-62-40-38-46(42-54(62)68(70(65)80)66-52-24-12-15-33-59(52)79(61)69(66)67)78(58-32-14-10-22-44(58)2)64-36-20-28-50-48-26-18-30-56(76(6,7)8)72(48)82-74(50)64;1-35-17-9-13-25-45(35)57(37-19-5-3-6-20-37)39-29-31-43-49(33-39)59-47-27-15-11-23-41(47)52-54-44-32-30-40(58(38-21-7-4-8-22-38)46-26-14-10-18-36(46)2)34-50(44)60-48-28-16-12-24-42(48)51(56(54)60)53(43)55(52)59;1-5-17-35(18-6-1)55(36-19-7-2-8-20-36)39-29-31-43-47(33-39)57-45-27-15-13-25-41(45)50-52-44-32-30-40(56(37-21-9-3-10-22-37)38-23-11-4-12-24-38)34-48(44)58-46-28-16-14-26-42(46)49(54(52)58)51(43)53(50)57/h5-46,74H,1-4H3;9-42H,1-8H3;3-34H,1-2H3;1-34H.
What are the key properties of 5-N,20-N-bis(6-tert-butyldibenzofuran-4-yl)-5-N,20-N-bis(2-methylphenyl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaene-5,20-diamine;6-N,21-N-bis(2-methylphenyl)-6-N,21-N-diphenyl-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1,3(8),4,6,10,12,14,16(32),17(31),18(23),19,21,25,27,29-pentadecaene-6,21-diamine;N-(3-methyldibenzofuran-4-yl)-20-[(3-methyldibenzofuran-4-yl)-(2-methyl-5-phenylphenyl)methyl]-N-(2-methyl-5-phenylphenyl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaen-5-amine;6-N,6-N,21-N,21-N-tetraphenyl-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1,3(8),4,6,10,12,14,16(32),17(31),18(23),19,21,25,27,29-pentadecaene-6,21-diamine?
5-N,20-N-bis(6-tert-butyldibenzofuran-4-yl)-5-N,20-N-bis(2-methylphenyl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaene-5,20-diamine;6-N,21-N-bis(2-methylphenyl)-6-N,21-N-diphenyl-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1,3(8),4,6,10,12,14,16(32),17(31),18(23),19,21,25,27,29-pentadecaene-6,21-diamine;N-(3-methyldibenzofuran-4-yl)-20-[(3-methyldibenzofuran-4-yl)-(2-methyl-5-phenylphenyl)methyl]-N-(2-methyl-5-phenylphenyl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaen-5-amine;6-N,6-N,21-N,21-N-tetraphenyl-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1,3(8),4,6,10,12,14,16(32),17(31),18(23),19,21,25,27,29-pentadecaene-6,21-diamine has a molecular weight of 3691.54 g/mol, XLogP of 75.41, 26 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,20-N-bis(6-tert-butyldibenzofuran-4-yl)-5-N,20-N-bis(2-methylphenyl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaene-5,20-diamine;6-N,21-N-bis(2-methylphenyl)-6-N,21-N-diphenyl-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1,3(8),4,6,10,12,14,16(32),17(31),18(23),19,21,25,27,29-pentadecaene-6,21-diamine;N-(3-methyldibenzofuran-4-yl)-20-[(3-methyldibenzofuran-4-yl)-(2-methyl-5-phenylphenyl)methyl]-N-(2-methyl-5-phenylphenyl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaen-5-amine;6-N,6-N,21-N,21-N-tetraphenyl-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1,3(8),4,6,10,12,14,16(32),17(31),18(23),19,21,25,27,29-pentadecaene-6,21-diamine is sourced from PubChem (CID 162167747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).