3,5-dimethyl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-12,18-dioxa-6-aza-2,24-diazoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-2,4,7(26),8,10,13(25),14,16,19,21,23-undecaene;3,5-dimethyl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-12-oxa-6,18-diaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene;3,5-dimethyl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;3,5-dimethyl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-12-oxa-3,6,23-triaza-29-azonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tridecaene;3-methyl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-12-oxa-3,6,23-triaza-29-azonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tridecaene;4-(4-naphthalen-1-ylnaphthalen-1-yl)-12,18-dioxa-6-aza-2,24-diazoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-2,4,7(26),8,10,13(25),14,16,19,21,23-undecaene;4-(4-naphthalen-1-ylnaphthalen-1-yl)-12-oxa-6,18-diaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene;4-(4-naphthalen-1-ylnaphthalen-1-yl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene

C373H238N30O10+14 — CID 157137683

IUPAC3,5-dimethyl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-12,18-dioxa-6-aza-2,24-diazoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-2,4,7(26),8,10,13(25),14,16,19,21,23-undecaene;3,5-dimethyl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-12-oxa-6,18-diaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene;3,5-dimethyl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;3,5-dimethyl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-12-oxa-3,6,23-triaza-29-azonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tridecaene;3-methyl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-12-oxa-3,6,23-triaza-29-azonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tridecaene;4-(4-naphthalen-1-ylnaphthalen-1-yl)-12,18-dioxa-6-aza-2,24-diazoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-2,4,7(26),8,10,13(25),14,16,19,21,23-undecaene;4-(4-naphthalen-1-ylnaphthalen-1-yl)-12-oxa-6,18-diaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene;4-(4-naphthalen-1-ylnaphthalen-1-yl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene
SMILESCC1=C(c2ccc(-c3cccc4ccccc34)c3ccccc23)N(C)C2N1c1cccc3c1C21c2c(ccc4c5ccccc5n(c24)-c2cccc[n+]21)O3.CN1C(c2ccc(-c3cccc4ccccc34)c3ccccc23)=CN2c3cccc4c3C3(c5c(ccc6c7ccccc7n(c56)-c5cccc[n+]53)O4)C12.Cc1c(-c2ccc(-c3cccc4ccccc34)c3ccccc23)c(C)[n+]2n1-c1cccc3c1C21c2c(ccc4c5ccccc5n(c24)-c2cccc[n+]21)O3.Cc1c(-c2ccc(-c3cccc4ccccc34)c3ccccc23)c(C)[n+]2n1-c1cccc3c1C21c2c(cccc2-n2c4ccccc4c4ccc[n+]1c42)O3.Cc1c(-c2ccc(-c3cccc4ccccc34)c3ccccc23)c(C)[n+]2n1-c1cccc3c1C21c2c(cccc2Oc2cccc[n+]21)O3.c1cc2c3c(c1)-n1c4ccccc4c4ccc[n+](c41)C31c3c(cccc3-n3cc(-c4ccc(-c5cccc6ccccc56)c5ccccc45)c[n+]31)O2.c1cc2c3c(c1)-n1cc(-c4ccc(-c5cccc6ccccc56)c5ccccc45)c[n+]1C31c3c(ccc4c5ccccc5n(c34)-c3cccc[n+]31)O2.c1cc2c3c(c1)Oc1cccc[n+]1C31c3c(cccc3-n3cc(-c4ccc(-c5cccc6ccccc56)c5ccccc45)c[n+]31)O2
InChIInChI=1S/C49H32N4O.C49H33N4O.C49H32N4O.C48H31N4O.2C47H28N4O.C43H29N3O2.C41H25N3O2/c1-29-45(38-27-26-36(34-16-5-6-17-35(34)38)33-19-9-14-31-13-3-4-15-32(31)33)30(2)53-49-46-41(22-10-24-43(46)54-44-25-11-23-42(47(44)49)52(29)53)51-40-21-8-7-18-37(40)39-20-12-28-50(49)48(39)51;1-29-46(37-25-24-35(33-16-5-6-17-34(33)37)32-19-11-14-30-13-3-4-15-31(30)32)50(2)48-49-44-40(52(29)48)21-12-22-41(44)54-42-27-26-38-36-18-7-8-20-39(36)53(47(38)45(42)49)43-23-9-10-28-51(43)49;1-29-45(38-25-24-36(34-16-5-6-17-35(34)38)33-19-11-14-31-13-3-4-15-32(31)33)30(2)53-49-46-41(52(29)53)21-12-22-42(46)54-43-27-26-39-37-18-7-8-20-40(37)51(48(39)47(43)49)44-23-9-10-28-50(44)49;1-49-40(36-24-23-34(32-15-4-5-16-33(32)36)31-18-10-13-29-12-2-3-14-30(29)31)28-50-39-20-11-21-41-44(39)48(47(49)50)45-42(53-41)26-25-37-35-17-6-7-19-38(35)52(46(37)45)43-22-8-9-27-51(43)48;1-2-13-31-29(11-1)12-7-17-34(31)36-25-24-32(33-14-3-4-15-35(33)36)30-27-49-40-20-8-22-42-44(40)47(50(49)28-30)45-41(21-9-23-43(45)52-42)51-39-19-6-5-16-37(39)38-18-10-26-48(47)46(38)51;1-2-13-31-29(11-1)12-9-17-34(31)36-23-22-32(33-14-3-4-15-35(33)36)30-27-49-40-19-10-20-41-44(40)47(50(49)28-30)45-42(52-41)25-24-38-37-16-5-6-18-39(37)51(46(38)45)43-21-7-8-26-48(43)47;1-26-40(34-24-23-33(31-15-5-6-16-32(31)34)30-17-9-13-28-12-3-4-14-29(28)30)27(2)46-43-41-35(45(26)46)18-10-19-36(41)47-37-20-11-21-38(42(37)43)48-39-22-7-8-25-44(39)43;1-2-12-28-26(10-1)11-7-15-31(28)33-22-21-29(30-13-3-4-14-32(30)33)27-24-43-34-16-8-17-35-39(34)41(44(43)25-27)40-36(45-35)18-9-19-37(40)46-38-20-5-6-23-42(38)41/h3-28H,1-2H3;3-28,48H,1-2H3;3-28H,1-2H3;2-28,47H,1H3;2*1-28H;3-25H,1-2H3;1-25H/q+2;+1;+2;+1;4*+2
InChIKeyPZCJLCSYAGJPRU-UHFFFAOYSA-N
MW5300.21 g/mol
LogP79.24
Rot. Bonds16

About 3,5-dimethyl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-12,18-dioxa-6-aza-2,24-diazoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-2,4,7(26),8,10,13(25),14,16,19,21,23-undecaene;3,5-dimethyl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-12-oxa-6,18-diaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene;3,5-dimethyl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;3,5-dimethyl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-12-oxa-3,6,23-triaza-29-azonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tridecaene;3-methyl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-12-oxa-3,6,23-triaza-29-azonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tridecaene;4-(4-naphthalen-1-ylnaphthalen-1-yl)-12,18-dioxa-6-aza-2,24-diazoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-2,4,7(26),8,10,13(25),14,16,19,21,23-undecaene;4-(4-naphthalen-1-ylnaphthalen-1-yl)-12-oxa-6,18-diaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene;4-(4-naphthalen-1-ylnaphthalen-1-yl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene

3,5-dimethyl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-12,18-dioxa-6-aza-2,24-diazoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-2,4,7(26),8,10,13(25),14,16,19,21,23-undecaene;3,5-dimethyl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-12-oxa-6,18-diaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene;3,5-dimethyl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;3,5-dimethyl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-12-oxa-3,6,23-triaza-29-azonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tridecaene;3-methyl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-12-oxa-3,6,23-triaza-29-azonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tridecaene;4-(4-naphthalen-1-ylnaphthalen-1-yl)-12,18-dioxa-6-aza-2,24-diazoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-2,4,7(26),8,10,13(25),14,16,19,21,23-undecaene;4-(4-naphthalen-1-ylnaphthalen-1-yl)-12-oxa-6,18-diaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene;4-(4-naphthalen-1-ylnaphthalen-1-yl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene (PubChem CID 157137683) has the molecular formula C373H238N30O10+14 and a molecular weight of 5300.21 g/mol. Its IUPAC name is 3,5-dimethyl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-12,18-dioxa-6-aza-2,24-diazoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-2,4,7(26),8,10,13(25),14,16,19,21,23-undecaene;3,5-dimethyl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-12-oxa-6,18-diaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene;3,5-dimethyl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;3,5-dimethyl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-12-oxa-3,6,23-triaza-29-azonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tridecaene;3-methyl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-12-oxa-3,6,23-triaza-29-azonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tridecaene;4-(4-naphthalen-1-ylnaphthalen-1-yl)-12,18-dioxa-6-aza-2,24-diazoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-2,4,7(26),8,10,13(25),14,16,19,21,23-undecaene;4-(4-naphthalen-1-ylnaphthalen-1-yl)-12-oxa-6,18-diaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene;4-(4-naphthalen-1-ylnaphthalen-1-yl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene.

Molecular Properties

Compound Name3,5-dimethyl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-12,18-dioxa-6-aza-2,24-diazoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-2,4,7(26),8,10,13(25),14,16,19,21,23-undecaene;3,5-dimethyl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-12-oxa-6,18-diaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene;3,5-dimethyl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;3,5-dimethyl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-12-oxa-3,6,23-triaza-29-azonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tridecaene;3-methyl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-12-oxa-3,6,23-triaza-29-azonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tridecaene;4-(4-naphthalen-1-ylnaphthalen-1-yl)-12,18-dioxa-6-aza-2,24-diazoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-2,4,7(26),8,10,13(25),14,16,19,21,23-undecaene;4-(4-naphthalen-1-ylnaphthalen-1-yl)-12-oxa-6,18-diaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene;4-(4-naphthalen-1-ylnaphthalen-1-yl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene
PubChem CID157137683
Molecular FormulaC373H238N30O10+14
Molecular Weight5300.21 g/mol
Exact Mass5295.90
IUPAC Name3,5-dimethyl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-12,18-dioxa-6-aza-2,24-diazoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-2,4,7(26),8,10,13(25),14,16,19,21,23-undecaene;3,5-dimethyl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-12-oxa-6,18-diaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene;3,5-dimethyl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;3,5-dimethyl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-12-oxa-3,6,23-triaza-29-azonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tridecaene;3-methyl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-12-oxa-3,6,23-triaza-29-azonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tridecaene;4-(4-naphthalen-1-ylnaphthalen-1-yl)-12,18-dioxa-6-aza-2,24-diazoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-2,4,7(26),8,10,13(25),14,16,19,21,23-undecaene;4-(4-naphthalen-1-ylnaphthalen-1-yl)-12-oxa-6,18-diaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene;4-(4-naphthalen-1-ylnaphthalen-1-yl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene
SMILESCC1=C(c2ccc(-c3cccc4ccccc34)c3ccccc23)N(C)C2N1c1cccc3c1C21c2c(ccc4c5ccccc5n(c24)-c2cccc[n+]21)O3.CN1C(c2ccc(-c3cccc4ccccc34)c3ccccc23)=CN2c3cccc4c3C3(c5c(ccc6c7ccccc7n(c56)-c5cccc[n+]53)O4)C12.Cc1c(-c2ccc(-c3cccc4ccccc34)c3ccccc23)c(C)[n+]2n1-c1cccc3c1C21c2c(ccc4c5ccccc5n(c24)-c2cccc[n+]21)O3.Cc1c(-c2ccc(-c3cccc4ccccc34)c3ccccc23)c(C)[n+]2n1-c1cccc3c1C21c2c(cccc2-n2c4ccccc4c4ccc[n+]1c42)O3.Cc1c(-c2ccc(-c3cccc4ccccc34)c3ccccc23)c(C)[n+]2n1-c1cccc3c1C21c2c(cccc2Oc2cccc[n+]21)O3.c1cc2c3c(c1)-n1c4ccccc4c4ccc[n+](c41)C31c3c(cccc3-n3cc(-c4ccc(-c5cccc6ccccc56)c5ccccc45)c[n+]31)O2.c1cc2c3c(c1)-n1cc(-c4ccc(-c5cccc6ccccc56)c5ccccc45)c[n+]1C31c3c(ccc4c5ccccc5n(c34)-c3cccc[n+]31)O2.c1cc2c3c(c1)Oc1cccc[n+]1C31c3c(cccc3-n3cc(-c4ccc(-c5cccc6ccccc56)c5ccccc45)c[n+]31)O2
InChIInChI=1S/C49H32N4O.C49H33N4O.C49H32N4O.C48H31N4O.2C47H28N4O.C43H29N3O2.C41H25N3O2/c1-29-45(38-27-26-36(34-16-5-6-17-35(34)38)33-19-9-14-31-13-3-4-15-32(31)33)30(2)53-49-46-41(22-10-24-43(46)54-44-25-11-23-42(47(44)49)52(29)53)51-40-21-8-7-18-37(40)39-20-12-28-50(49)48(39)51;1-29-46(37-25-24-35(33-16-5-6-17-34(33)37)32-19-11-14-30-13-3-4-15-31(30)32)50(2)48-49-44-40(52(29)48)21-12-22-41(44)54-42-27-26-38-36-18-7-8-20-39(36)53(47(38)45(42)49)43-23-9-10-28-51(43)49;1-29-45(38-25-24-36(34-16-5-6-17-35(34)38)33-19-11-14-31-13-3-4-15-32(31)33)30(2)53-49-46-41(52(29)53)21-12-22-42(46)54-43-27-26-39-37-18-7-8-20-40(37)51(48(39)47(43)49)44-23-9-10-28-50(44)49;1-49-40(36-24-23-34(32-15-4-5-16-33(32)36)31-18-10-13-29-12-2-3-14-30(29)31)28-50-39-20-11-21-41-44(39)48(47(49)50)45-42(53-41)26-25-37-35-17-6-7-19-38(35)52(46(37)45)43-22-8-9-27-51(43)48;1-2-13-31-29(11-1)12-7-17-34(31)36-25-24-32(33-14-3-4-15-35(33)36)30-27-49-40-20-8-22-42-44(40)47(50(49)28-30)45-41(21-9-23-43(45)52-42)51-39-19-6-5-16-37(39)38-18-10-26-48(47)46(38)51;1-2-13-31-29(11-1)12-9-17-34(31)36-23-22-32(33-14-3-4-15-35(33)36)30-27-49-40-19-10-20-41-44(40)47(50(49)28-30)45-42(52-41)25-24-38-37-16-5-6-18-39(37)51(46(38)45)43-21-7-8-26-48(43)47;1-26-40(34-24-23-33(31-15-5-6-16-32(31)34)30-17-9-13-28-12-3-4-14-29(28)30)27(2)46-43-41-35(45(26)46)18-10-19-36(41)47-37-20-11-21-38(42(37)43)48-39-22-7-8-25-44(39)43;1-2-12-28-26(10-1)11-7-15-31(28)33-22-21-29(30-13-3-4-14-32(30)33)27-24-43-34-16-8-17-35-39(34)41(44(43)25-27)40-36(45-35)18-9-19-37(40)46-38-20-5-6-23-42(38)41/h3-28H,1-2H3;3-28,48H,1-2H3;3-28H,1-2H3;2-28,47H,1H3;2*1-28H;3-25H,1-2H3;1-25H/q+2;+1;+2;+1;4*+2
InChIKeyPZCJLCSYAGJPRU-UHFFFAOYSA-N
XLogP79.24
TPSA218.74 Ų
H-Bond Donors
H-Bond Acceptors26
Rotatable Bonds16
Heavy Atoms413
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005300.21
LogP ≤ 579.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1026

Analyze 3,5-dimethyl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-12,18-dioxa-6-aza-2,24-diazoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-2,4,7(26),8,10,13(25),14,16,19,21,23-undecaene;3,5-dimethyl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-12-oxa-6,18-diaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene;3,5-dimethyl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;3,5-dimethyl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-12-oxa-3,6,23-triaza-29-azonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tridecaene;3-methyl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-12-oxa-3,6,23-triaza-29-azonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tridecaene;4-(4-naphthalen-1-ylnaphthalen-1-yl)-12,18-dioxa-6-aza-2,24-diazoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-2,4,7(26),8,10,13(25),14,16,19,21,23-undecaene;4-(4-naphthalen-1-ylnaphthalen-1-yl)-12-oxa-6,18-diaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene;4-(4-naphthalen-1-ylnaphthalen-1-yl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-12,18-dioxa-6-aza-2,24-diazoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-2,4,7(26),8,10,13(25),14,16,19,21,23-undecaene;3,5-dimethyl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-12-oxa-6,18-diaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene;3,5-dimethyl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;3,5-dimethyl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-12-oxa-3,6,23-triaza-29-azonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tridecaene;3-methyl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-12-oxa-3,6,23-triaza-29-azonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tridecaene;4-(4-naphthalen-1-ylnaphthalen-1-yl)-12,18-dioxa-6-aza-2,24-diazoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-2,4,7(26),8,10,13(25),14,16,19,21,23-undecaene;4-(4-naphthalen-1-ylnaphthalen-1-yl)-12-oxa-6,18-diaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene;4-(4-naphthalen-1-ylnaphthalen-1-yl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene?
The IUPAC name of 3,5-dimethyl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-12,18-dioxa-6-aza-2,24-diazoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-2,4,7(26),8,10,13(25),14,16,19,21,23-undecaene;3,5-dimethyl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-12-oxa-6,18-diaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene;3,5-dimethyl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;3,5-dimethyl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-12-oxa-3,6,23-triaza-29-azonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tridecaene;3-methyl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-12-oxa-3,6,23-triaza-29-azonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tridecaene;4-(4-naphthalen-1-ylnaphthalen-1-yl)-12,18-dioxa-6-aza-2,24-diazoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-2,4,7(26),8,10,13(25),14,16,19,21,23-undecaene;4-(4-naphthalen-1-ylnaphthalen-1-yl)-12-oxa-6,18-diaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene;4-(4-naphthalen-1-ylnaphthalen-1-yl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene (CID 157137683) is 3,5-dimethyl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-12,18-dioxa-6-aza-2,24-diazoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-2,4,7(26),8,10,13(25),14,16,19,21,23-undecaene;3,5-dimethyl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-12-oxa-6,18-diaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene;3,5-dimethyl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;3,5-dimethyl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-12-oxa-3,6,23-triaza-29-azonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tridecaene;3-methyl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-12-oxa-3,6,23-triaza-29-azonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tridecaene;4-(4-naphthalen-1-ylnaphthalen-1-yl)-12,18-dioxa-6-aza-2,24-diazoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-2,4,7(26),8,10,13(25),14,16,19,21,23-undecaene;4-(4-naphthalen-1-ylnaphthalen-1-yl)-12-oxa-6,18-diaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene;4-(4-naphthalen-1-ylnaphthalen-1-yl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene.
What is the SMILES notation for 3,5-dimethyl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-12,18-dioxa-6-aza-2,24-diazoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-2,4,7(26),8,10,13(25),14,16,19,21,23-undecaene;3,5-dimethyl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-12-oxa-6,18-diaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene;3,5-dimethyl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;3,5-dimethyl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-12-oxa-3,6,23-triaza-29-azonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tridecaene;3-methyl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-12-oxa-3,6,23-triaza-29-azonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tridecaene;4-(4-naphthalen-1-ylnaphthalen-1-yl)-12,18-dioxa-6-aza-2,24-diazoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-2,4,7(26),8,10,13(25),14,16,19,21,23-undecaene;4-(4-naphthalen-1-ylnaphthalen-1-yl)-12-oxa-6,18-diaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene;4-(4-naphthalen-1-ylnaphthalen-1-yl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene?
The canonical SMILES for 3,5-dimethyl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-12,18-dioxa-6-aza-2,24-diazoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-2,4,7(26),8,10,13(25),14,16,19,21,23-undecaene;3,5-dimethyl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-12-oxa-6,18-diaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene;3,5-dimethyl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;3,5-dimethyl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-12-oxa-3,6,23-triaza-29-azonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tridecaene;3-methyl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-12-oxa-3,6,23-triaza-29-azonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tridecaene;4-(4-naphthalen-1-ylnaphthalen-1-yl)-12,18-dioxa-6-aza-2,24-diazoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-2,4,7(26),8,10,13(25),14,16,19,21,23-undecaene;4-(4-naphthalen-1-ylnaphthalen-1-yl)-12-oxa-6,18-diaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene;4-(4-naphthalen-1-ylnaphthalen-1-yl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene is CC1=C(c2ccc(-c3cccc4ccccc34)c3ccccc23)N(C)C2N1c1cccc3c1C21c2c(ccc4c5ccccc5n(c24)-c2cccc[n+]21)O3.CN1C(c2ccc(-c3cccc4ccccc34)c3ccccc23)=CN2c3cccc4c3C3(c5c(ccc6c7ccccc7n(c56)-c5cccc[n+]53)O4)C12.Cc1c(-c2ccc(-c3cccc4ccccc34)c3ccccc23)c(C)[n+]2n1-c1cccc3c1C21c2c(ccc4c5ccccc5n(c24)-c2cccc[n+]21)O3.Cc1c(-c2ccc(-c3cccc4ccccc34)c3ccccc23)c(C)[n+]2n1-c1cccc3c1C21c2c(cccc2-n2c4ccccc4c4ccc[n+]1c42)O3.Cc1c(-c2ccc(-c3cccc4ccccc34)c3ccccc23)c(C)[n+]2n1-c1cccc3c1C21c2c(cccc2Oc2cccc[n+]21)O3.c1cc2c3c(c1)-n1c4ccccc4c4ccc[n+](c41)C31c3c(cccc3-n3cc(-c4ccc(-c5cccc6ccccc56)c5ccccc45)c[n+]31)O2.c1cc2c3c(c1)-n1cc(-c4ccc(-c5cccc6ccccc56)c5ccccc45)c[n+]1C31c3c(ccc4c5ccccc5n(c34)-c3cccc[n+]31)O2.c1cc2c3c(c1)Oc1cccc[n+]1C31c3c(cccc3-n3cc(-c4ccc(-c5cccc6ccccc56)c5ccccc45)c[n+]31)O2.
What is the InChIKey of 3,5-dimethyl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-12,18-dioxa-6-aza-2,24-diazoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-2,4,7(26),8,10,13(25),14,16,19,21,23-undecaene;3,5-dimethyl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-12-oxa-6,18-diaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene;3,5-dimethyl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;3,5-dimethyl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-12-oxa-3,6,23-triaza-29-azonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tridecaene;3-methyl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-12-oxa-3,6,23-triaza-29-azonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tridecaene;4-(4-naphthalen-1-ylnaphthalen-1-yl)-12,18-dioxa-6-aza-2,24-diazoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-2,4,7(26),8,10,13(25),14,16,19,21,23-undecaene;4-(4-naphthalen-1-ylnaphthalen-1-yl)-12-oxa-6,18-diaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene;4-(4-naphthalen-1-ylnaphthalen-1-yl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene?
The InChIKey is PZCJLCSYAGJPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32N4O.C49H33N4O.C49H32N4O.C48H31N4O.2C47H28N4O.C43H29N3O2.C41H25N3O2/c1-29-45(38-27-26-36(34-16-5-6-17-35(34)38)33-19-9-14-31-13-3-4-15-32(31)33)30(2)53-49-46-41(22-10-24-43(46)54-44-25-11-23-42(47(44)49)52(29)53)51-40-21-8-7-18-37(40)39-20-12-28-50(49)48(39)51;1-29-46(37-25-24-35(33-16-5-6-17-34(33)37)32-19-11-14-30-13-3-4-15-31(30)32)50(2)48-49-44-40(52(29)48)21-12-22-41(44)54-42-27-26-38-36-18-7-8-20-39(36)53(47(38)45(42)49)43-23-9-10-28-51(43)49;1-29-45(38-25-24-36(34-16-5-6-17-35(34)38)33-19-11-14-31-13-3-4-15-32(31)33)30(2)53-49-46-41(52(29)53)21-12-22-42(46)54-43-27-26-39-37-18-7-8-20-40(37)51(48(39)47(43)49)44-23-9-10-28-50(44)49;1-49-40(36-24-23-34(32-15-4-5-16-33(32)36)31-18-10-13-29-12-2-3-14-30(29)31)28-50-39-20-11-21-41-44(39)48(47(49)50)45-42(53-41)26-25-37-35-17-6-7-19-38(35)52(46(37)45)43-22-8-9-27-51(43)48;1-2-13-31-29(11-1)12-7-17-34(31)36-25-24-32(33-14-3-4-15-35(33)36)30-27-49-40-20-8-22-42-44(40)47(50(49)28-30)45-41(21-9-23-43(45)52-42)51-39-19-6-5-16-37(39)38-18-10-26-48(47)46(38)51;1-2-13-31-29(11-1)12-9-17-34(31)36-23-22-32(33-14-3-4-15-35(33)36)30-27-49-40-19-10-20-41-44(40)47(50(49)28-30)45-42(52-41)25-24-38-37-16-5-6-18-39(37)51(46(38)45)43-21-7-8-26-48(43)47;1-26-40(34-24-23-33(31-15-5-6-16-32(31)34)30-17-9-13-28-12-3-4-14-29(28)30)27(2)46-43-41-35(45(26)46)18-10-19-36(41)47-37-20-11-21-38(42(37)43)48-39-22-7-8-25-44(39)43;1-2-12-28-26(10-1)11-7-15-31(28)33-22-21-29(30-13-3-4-14-32(30)33)27-24-43-34-16-8-17-35-39(34)41(44(43)25-27)40-36(45-35)18-9-19-37(40)46-38-20-5-6-23-42(38)41/h3-28H,1-2H3;3-28,48H,1-2H3;3-28H,1-2H3;2-28,47H,1H3;2*1-28H;3-25H,1-2H3;1-25H/q+2;+1;+2;+1;4*+2.
What are the key properties of 3,5-dimethyl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-12,18-dioxa-6-aza-2,24-diazoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-2,4,7(26),8,10,13(25),14,16,19,21,23-undecaene;3,5-dimethyl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-12-oxa-6,18-diaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene;3,5-dimethyl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;3,5-dimethyl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-12-oxa-3,6,23-triaza-29-azonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tridecaene;3-methyl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-12-oxa-3,6,23-triaza-29-azonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tridecaene;4-(4-naphthalen-1-ylnaphthalen-1-yl)-12,18-dioxa-6-aza-2,24-diazoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-2,4,7(26),8,10,13(25),14,16,19,21,23-undecaene;4-(4-naphthalen-1-ylnaphthalen-1-yl)-12-oxa-6,18-diaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene;4-(4-naphthalen-1-ylnaphthalen-1-yl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene?
3,5-dimethyl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-12,18-dioxa-6-aza-2,24-diazoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-2,4,7(26),8,10,13(25),14,16,19,21,23-undecaene;3,5-dimethyl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-12-oxa-6,18-diaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene;3,5-dimethyl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;3,5-dimethyl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-12-oxa-3,6,23-triaza-29-azonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tridecaene;3-methyl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-12-oxa-3,6,23-triaza-29-azonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tridecaene;4-(4-naphthalen-1-ylnaphthalen-1-yl)-12,18-dioxa-6-aza-2,24-diazoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-2,4,7(26),8,10,13(25),14,16,19,21,23-undecaene;4-(4-naphthalen-1-ylnaphthalen-1-yl)-12-oxa-6,18-diaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene;4-(4-naphthalen-1-ylnaphthalen-1-yl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene has a molecular weight of 5300.21 g/mol, XLogP of 79.24, 16 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-12,18-dioxa-6-aza-2,24-diazoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-2,4,7(26),8,10,13(25),14,16,19,21,23-undecaene;3,5-dimethyl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-12-oxa-6,18-diaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene;3,5-dimethyl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;3,5-dimethyl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-12-oxa-3,6,23-triaza-29-azonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tridecaene;3-methyl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-12-oxa-3,6,23-triaza-29-azonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tridecaene;4-(4-naphthalen-1-ylnaphthalen-1-yl)-12,18-dioxa-6-aza-2,24-diazoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-2,4,7(26),8,10,13(25),14,16,19,21,23-undecaene;4-(4-naphthalen-1-ylnaphthalen-1-yl)-12-oxa-6,18-diaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene;4-(4-naphthalen-1-ylnaphthalen-1-yl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene is sourced from PubChem (CID 157137683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).