About 13-N,28-N-bis(3-methylphenyl)-13-N,28-N-bis(3-phenylphenyl)-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-diamine;13-N,28-N-bis(4-methylphenyl)-13-N,28-N-bis(3-phenylphenyl)-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-diamine;13-N,28-N-bis(3-methyl-5-phenylphenyl)-13-N,28-N-diphenyl-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-diamine;3,30-diphenyl-5,15,32,42-tetrazaheptadecacyclo[30.22.1.15,24.18,15.135,42.02,31.04,29.06,23.09,14.016,21.033,50.036,41.043,48.051,55.022,58.028,57.049,56]octapentaconta-1(54),2,4(29),6(23),7,9,11,13,16,18,20,22(58),24(57),25,27,30,33(50),34,36,38,40,43,45,47,49(56),51(55),52-heptacosaene
13-N,28-N-bis(3-methylphenyl)-13-N,28-N-bis(3-phenylphenyl)-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-diamine;13-N,28-N-bis(4-methylphenyl)-13-N,28-N-bis(3-phenylphenyl)-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-diamine;13-N,28-N-bis(3-methyl-5-phenylphenyl)-13-N,28-N-diphenyl-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-diamine;3,30-diphenyl-5,15,32,42-tetrazaheptadecacyclo[30.22.1.15,24.18,15.135,42.02,31.04,29.06,23.09,14.016,21.033,50.036,41.043,48.051,55.022,58.028,57.049,56]octapentaconta-1(54),2,4(29),6(23),7,9,11,13,16,18,20,22(58),24(57),25,27,30,33(50),34,36,38,40,43,45,47,49(56),51(55),52-heptacosaene (PubChem CID 159051744) has the molecular formula C270H172N16
and a molecular weight of 3640.46 g/mol. Its IUPAC name is 13-N,28-N-bis(3-methylphenyl)-13-N,28-N-bis(3-phenylphenyl)-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-diamine;13-N,28-N-bis(4-methylphenyl)-13-N,28-N-bis(3-phenylphenyl)-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-diamine;13-N,28-N-bis(3-methyl-5-phenylphenyl)-13-N,28-N-diphenyl-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-diamine;3,30-diphenyl-5,15,32,42-tetrazaheptadecacyclo[30.22.1.15,24.18,15.135,42.02,31.04,29.06,23.09,14.016,21.033,50.036,41.043,48.051,55.022,58.028,57.049,56]octapentaconta-1(54),2,4(29),6(23),7,9,11,13,16,18,20,22(58),24(57),25,27,30,33(50),34,36,38,40,43,45,47,49(56),51(55),52-heptacosaene.
Frequently Asked Questions
What is the IUPAC name of 13-N,28-N-bis(3-methylphenyl)-13-N,28-N-bis(3-phenylphenyl)-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-diamine;13-N,28-N-bis(4-methylphenyl)-13-N,28-N-bis(3-phenylphenyl)-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-diamine;13-N,28-N-bis(3-methyl-5-phenylphenyl)-13-N,28-N-diphenyl-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-diamine;3,30-diphenyl-5,15,32,42-tetrazaheptadecacyclo[30.22.1.15,24.18,15.135,42.02,31.04,29.06,23.09,14.016,21.033,50.036,41.043,48.051,55.022,58.028,57.049,56]octapentaconta-1(54),2,4(29),6(23),7,9,11,13,16,18,20,22(58),24(57),25,27,30,33(50),34,36,38,40,43,45,47,49(56),51(55),52-heptacosaene?
The IUPAC name of 13-N,28-N-bis(3-methylphenyl)-13-N,28-N-bis(3-phenylphenyl)-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-diamine;13-N,28-N-bis(4-methylphenyl)-13-N,28-N-bis(3-phenylphenyl)-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-diamine;13-N,28-N-bis(3-methyl-5-phenylphenyl)-13-N,28-N-diphenyl-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-diamine;3,30-diphenyl-5,15,32,42-tetrazaheptadecacyclo[30.22.1.15,24.18,15.135,42.02,31.04,29.06,23.09,14.016,21.033,50.036,41.043,48.051,55.022,58.028,57.049,56]octapentaconta-1(54),2,4(29),6(23),7,9,11,13,16,18,20,22(58),24(57),25,27,30,33(50),34,36,38,40,43,45,47,49(56),51(55),52-heptacosaene (CID 159051744) is 13-N,28-N-bis(3-methylphenyl)-13-N,28-N-bis(3-phenylphenyl)-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-diamine;13-N,28-N-bis(4-methylphenyl)-13-N,28-N-bis(3-phenylphenyl)-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-diamine;13-N,28-N-bis(3-methyl-5-phenylphenyl)-13-N,28-N-diphenyl-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-diamine;3,30-diphenyl-5,15,32,42-tetrazaheptadecacyclo[30.22.1.15,24.18,15.135,42.02,31.04,29.06,23.09,14.016,21.033,50.036,41.043,48.051,55.022,58.028,57.049,56]octapentaconta-1(54),2,4(29),6(23),7,9,11,13,16,18,20,22(58),24(57),25,27,30,33(50),34,36,38,40,43,45,47,49(56),51(55),52-heptacosaene.
What is the SMILES notation for 13-N,28-N-bis(3-methylphenyl)-13-N,28-N-bis(3-phenylphenyl)-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-diamine;13-N,28-N-bis(4-methylphenyl)-13-N,28-N-bis(3-phenylphenyl)-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-diamine;13-N,28-N-bis(3-methyl-5-phenylphenyl)-13-N,28-N-diphenyl-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-diamine;3,30-diphenyl-5,15,32,42-tetrazaheptadecacyclo[30.22.1.15,24.18,15.135,42.02,31.04,29.06,23.09,14.016,21.033,50.036,41.043,48.051,55.022,58.028,57.049,56]octapentaconta-1(54),2,4(29),6(23),7,9,11,13,16,18,20,22(58),24(57),25,27,30,33(50),34,36,38,40,43,45,47,49(56),51(55),52-heptacosaene?
The canonical SMILES for 13-N,28-N-bis(3-methylphenyl)-13-N,28-N-bis(3-phenylphenyl)-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-diamine;13-N,28-N-bis(4-methylphenyl)-13-N,28-N-bis(3-phenylphenyl)-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-diamine;13-N,28-N-bis(3-methyl-5-phenylphenyl)-13-N,28-N-diphenyl-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-diamine;3,30-diphenyl-5,15,32,42-tetrazaheptadecacyclo[30.22.1.15,24.18,15.135,42.02,31.04,29.06,23.09,14.016,21.033,50.036,41.043,48.051,55.022,58.028,57.049,56]octapentaconta-1(54),2,4(29),6(23),7,9,11,13,16,18,20,22(58),24(57),25,27,30,33(50),34,36,38,40,43,45,47,49(56),51(55),52-heptacosaene is Cc1cc(-c2ccccc2)cc(N(c2ccccc2)c2ccc3c4cc5c(cc4n4c6ccccc6c2c34)c2ccc(N(c3ccccc3)c3cc(C)cc(-c4ccccc4)c3)c3c4ccccc4n5c23)c1.Cc1ccc(N(c2cccc(-c3ccccc3)c2)c2ccc3c4cc5c(cc4n4c6ccccc6c2c34)c2ccc(N(c3ccc(C)cc3)c3cccc(-c4ccccc4)c3)c3c4ccccc4n5c23)cc1.Cc1cccc(N(c2cccc(-c3ccccc3)c2)c2ccc3c4cc5c(cc4n4c6ccccc6c2c34)c2ccc(N(c3cccc(C)c3)c3cccc(-c4ccccc4)c3)c3c4ccccc4n5c23)c1.c1ccc(-c2c3c4cccc5c6c7c8ccccc8n8c9ccccc9c(cc6n(c3c(-c3ccccc3)c3c6cccc9c%10c%11c%12ccccc%12n%12c%13ccccc%13c(cc%10n(c23)c69)c%11%12)c45)c78)cc1.
What is the InChIKey of 13-N,28-N-bis(3-methylphenyl)-13-N,28-N-bis(3-phenylphenyl)-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-diamine;13-N,28-N-bis(4-methylphenyl)-13-N,28-N-bis(3-phenylphenyl)-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-diamine;13-N,28-N-bis(3-methyl-5-phenylphenyl)-13-N,28-N-diphenyl-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-diamine;3,30-diphenyl-5,15,32,42-tetrazaheptadecacyclo[30.22.1.15,24.18,15.135,42.02,31.04,29.06,23.09,14.016,21.033,50.036,41.043,48.051,55.022,58.028,57.049,56]octapentaconta-1(54),2,4(29),6(23),7,9,11,13,16,18,20,22(58),24(57),25,27,30,33(50),34,36,38,40,43,45,47,49(56),51(55),52-heptacosaene?
The InChIKey is JXIRXCJZVITUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/3C68H46N4.C66H34N4/c1-43-35-47(45-19-7-3-8-20-45)39-51(37-43)69(49-23-11-5-12-24-49)61-33-31-53-57-41-64-58(42-63(57)71-59-29-17-15-27-55(59)65(61)67(53)71)54-32-34-62(66-56-28-16-18-30-60(56)72(64)68(54)66)70(50-25-13-6-14-26-50)52-38-44(2)36-48(40-52)46-21-9-4-10-22-46;1-43-17-13-25-49(37-43)69(51-27-15-23-47(39-51)45-19-5-3-6-20-45)61-35-33-53-57-41-64-58(42-63(57)71-59-31-11-9-29-55(59)65(61)67(53)71)54-34-36-62(66-56-30-10-12-32-60(56)72(64)68(54)66)70(50-26-14-18-44(2)38-50)52-28-16-24-48(40-52)46-21-7-4-8-22-46;1-43-27-31-49(32-28-43)69(51-21-13-19-47(39-51)45-15-5-3-6-16-45)61-37-35-53-57-41-64-58(42-63(57)71-59-25-11-9-23-55(59)65(61)67(53)71)54-36-38-62(66-56-24-10-12-26-60(56)72(64)68(54)66)70(50-33-29-44(2)30-34-50)52-22-14-20-48(40-52)46-17-7-4-8-18-46;1-3-17-35(18-4-1)53-59-43-27-15-25-41-56-52(34-46-38-22-8-12-30-48(38)68-50-32-14-10-24-40(50)58(56)64(46)68)70(61(41)43)66(59)54(36-19-5-2-6-20-36)60-44-28-16-26-42-55-51(69(62(42)44)65(53)60)33-45-37-21-7-11-29-47(37)67-49-31-13-9-23-39(49)57(55)63(45)67/h3*3-42H,1-2H3;1-34H.
What are the key properties of 13-N,28-N-bis(3-methylphenyl)-13-N,28-N-bis(3-phenylphenyl)-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-diamine;13-N,28-N-bis(4-methylphenyl)-13-N,28-N-bis(3-phenylphenyl)-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-diamine;13-N,28-N-bis(3-methyl-5-phenylphenyl)-13-N,28-N-diphenyl-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-diamine;3,30-diphenyl-5,15,32,42-tetrazaheptadecacyclo[30.22.1.15,24.18,15.135,42.02,31.04,29.06,23.09,14.016,21.033,50.036,41.043,48.051,55.022,58.028,57.049,56]octapentaconta-1(54),2,4(29),6(23),7,9,11,13,16,18,20,22(58),24(57),25,27,30,33(50),34,36,38,40,43,45,47,49(56),51(55),52-heptacosaene?
13-N,28-N-bis(3-methylphenyl)-13-N,28-N-bis(3-phenylphenyl)-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-diamine;13-N,28-N-bis(4-methylphenyl)-13-N,28-N-bis(3-phenylphenyl)-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-diamine;13-N,28-N-bis(3-methyl-5-phenylphenyl)-13-N,28-N-diphenyl-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-diamine;3,30-diphenyl-5,15,32,42-tetrazaheptadecacyclo[30.22.1.15,24.18,15.135,42.02,31.04,29.06,23.09,14.016,21.033,50.036,41.043,48.051,55.022,58.028,57.049,56]octapentaconta-1(54),2,4(29),6(23),7,9,11,13,16,18,20,22(58),24(57),25,27,30,33(50),34,36,38,40,43,45,47,49(56),51(55),52-heptacosaene has a molecular weight of 3640.46 g/mol, XLogP of 74.25, 26 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 13-N,28-N-bis(3-methylphenyl)-13-N,28-N-bis(3-phenylphenyl)-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-diamine;13-N,28-N-bis(4-methylphenyl)-13-N,28-N-bis(3-phenylphenyl)-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-diamine;13-N,28-N-bis(3-methyl-5-phenylphenyl)-13-N,28-N-diphenyl-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-diamine;3,30-diphenyl-5,15,32,42-tetrazaheptadecacyclo[30.22.1.15,24.18,15.135,42.02,31.04,29.06,23.09,14.016,21.033,50.036,41.043,48.051,55.022,58.028,57.049,56]octapentaconta-1(54),2,4(29),6(23),7,9,11,13,16,18,20,22(58),24(57),25,27,30,33(50),34,36,38,40,43,45,47,49(56),51(55),52-heptacosaene is sourced from PubChem (CID 159051744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).