3,25-diphenyl-8,30-dioxa-5,27-diazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.07,15.09,14.028,40.029,37.031,36.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7(15),9,11,13,16,19(46),20,22,25,28(40),29(37),31,33,35,38,41(45),42-henicosaene;3,25-diphenyl-9,31-dioxa-5,27-diazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.08,16.010,15.028,40.030,38.032,37.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,10,12,14,16,19(46),20,22,25,28(40),29,32,34,36,38,41(45),42-henicosaene;3,25-diphenyl-14,36-dioxa-5,27-diazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.07,15.08,13.028,40.029,37.030,35.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7(15),8,10,12,16,19(46),20,22,25,28(40),29(37),30,32,34,38,41(45),42-henicosaene;3,25-diphenyl-15,37-dioxa-5,27-diazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.08,16.09,14.028,40.030,38.031,36.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,9,11,13,16,19(46),20,22,25,28(40),29,31,33,35,38,41(45),42-henicosaene;7,29-diphenyl-1,7,23,29-tetrazatridecacyclo[25.17.1.15,16.02,26.04,24.06,14.08,13.017,22.028,36.030,35.038,45.039,44.023,46]hexatetraconta-2(26),3,5,8,10,12,14,16(46),17,19,21,24,27,30,32,34,36,38(45),39,41,43-henicosaene;13,35-diphenyl-1,13,23,35-tetrazatridecacyclo[25.17.1.15,16.02,26.04,24.06,14.07,12.017,22.028,36.029,34.038,45.039,44.023,46]hexatetraconta-2(26),3,5(46),6(14),7,9,11,15,17,19,21,24,27(45),28(36),29,31,33,37,39,41,43-henicosaene

C324H172N16O8 — CID 157139181

IUPAC3,25-diphenyl-8,30-dioxa-5,27-diazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.07,15.09,14.028,40.029,37.031,36.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7(15),9,11,13,16,19(46),20,22,25,28(40),29(37),31,33,35,38,41(45),42-henicosaene;3,25-diphenyl-9,31-dioxa-5,27-diazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.08,16.010,15.028,40.030,38.032,37.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,10,12,14,16,19(46),20,22,25,28(40),29,32,34,36,38,41(45),42-henicosaene;3,25-diphenyl-14,36-dioxa-5,27-diazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.07,15.08,13.028,40.029,37.030,35.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7(15),8,10,12,16,19(46),20,22,25,28(40),29(37),30,32,34,38,41(45),42-henicosaene;3,25-diphenyl-15,37-dioxa-5,27-diazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.08,16.09,14.028,40.030,38.031,36.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,9,11,13,16,19(46),20,22,25,28(40),29,31,33,35,38,41(45),42-henicosaene;7,29-diphenyl-1,7,23,29-tetrazatridecacyclo[25.17.1.15,16.02,26.04,24.06,14.08,13.017,22.028,36.030,35.038,45.039,44.023,46]hexatetraconta-2(26),3,5,8,10,12,14,16(46),17,19,21,24,27,30,32,34,36,38(45),39,41,43-henicosaene;13,35-diphenyl-1,13,23,35-tetrazatridecacyclo[25.17.1.15,16.02,26.04,24.06,14.07,12.017,22.028,36.029,34.038,45.039,44.023,46]hexatetraconta-2(26),3,5(46),6(14),7,9,11,15,17,19,21,24,27(45),28(36),29,31,33,37,39,41,43-henicosaene
SMILESc1ccc(-c2c3c4cccc5c6cc7c(cc6n(c3c(-c3ccccc3)c3c6cccc8c9cc%10c(cc9n(c23)c86)oc2ccccc2%10)c54)oc2ccccc27)cc1.c1ccc(-c2c3c4cccc5c6cc7oc8ccccc8c7cc6n(c3c(-c3ccccc3)c3c6cccc7c8cc9oc%10ccccc%10c9cc8n(c23)c76)c54)cc1.c1ccc(-c2c3c4cccc5c6ccc7c8ccccc8oc7c6n(c3c(-c3ccccc3)c3c6cccc7c8ccc9c%10ccccc%10oc9c8n(c23)c76)c54)cc1.c1ccc(-c2c3c4cccc5c6ccc7oc8ccccc8c7c6n(c3c(-c3ccccc3)c3c6cccc7c8ccc9oc%10ccccc%10c9c8n(c23)c76)c54)cc1.c1ccc(-n2c3ccccc3c3c4c5cc6c(cc5n5c7ccccc7c(cc32)c45)c2c3c4ccccc4n(-c4ccccc4)c3cc3c4ccccc4n6c32)cc1.c1ccc(-n2c3ccccc3c3cc4c5ccccc5n5c6cc7c8c9c(cc%10c%11ccccc%11n(c7cc6c(c32)c45)c%108)c2ccccc2n9-c2ccccc2)cc1
InChIInChI=1S/2C54H30N4.4C54H28N2O2/c1-3-15-31(16-4-1)55-43-25-13-9-21-35(43)49-47(55)27-37-33-19-7-11-23-41(33)57-45-30-40-46(29-39(45)51(49)53(37)57)58-42-24-12-8-20-34(42)38-28-48-50(52(40)54(38)58)36-22-10-14-26-44(36)56(48)32-17-5-2-6-18-32;1-3-15-31(16-4-1)55-43-23-11-7-19-33(43)37-27-39-35-21-9-13-25-45(35)57-47-30-42-48(29-41(47)49(51(37)55)53(39)57)58-46-26-14-10-22-36(46)40-28-38-34-20-8-12-24-44(34)56(32-17-5-2-6-18-32)52(38)50(42)54(40)58;1-3-13-29(14-4-1)47-49-35-21-11-19-33-38-28-46-40(32-18-8-10-24-44(32)58-46)26-42(38)56(51(33)35)54(49)48(30-15-5-2-6-16-30)50-36-22-12-20-34-37-27-45-39(31-17-7-9-23-43(31)57-45)25-41(37)55(52(34)36)53(47)50;1-3-13-29(14-4-1)47-49-35-21-11-19-33-38-26-40-32-18-8-10-24-44(32)58-46(40)28-42(38)56(51(33)35)54(49)48(30-15-5-2-6-16-30)50-36-22-12-20-34-37-25-39-31-17-7-9-23-43(31)57-45(39)27-41(37)55(52(34)36)53(47)50;1-3-13-29(14-4-1)43-47-37-21-11-19-31-34-26-28-42-46(36-18-8-10-24-40(36)58-42)52(34)56(49(31)37)54(47)44(30-15-5-2-6-16-30)48-38-22-12-20-32-33-25-27-41-45(35-17-7-9-23-39(35)57-41)51(33)55(50(32)38)53(43)48;1-3-13-29(14-4-1)43-45-39-21-11-19-33-36-26-28-38-32-18-8-10-24-42(32)58-54(38)50(36)56(47(33)39)52(45)44(30-15-5-2-6-16-30)46-40-22-12-20-34-35-25-27-37-31-17-7-9-23-41(31)57-53(37)49(35)55(48(34)40)51(43)46/h2*1-30H;4*1-28H
InChIKeyAJZIECMXPLUTHA-UHFFFAOYSA-N
MW4417.04 g/mol
LogP88.84
Rot. Bonds12

About 3,25-diphenyl-8,30-dioxa-5,27-diazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.07,15.09,14.028,40.029,37.031,36.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7(15),9,11,13,16,19(46),20,22,25,28(40),29(37),31,33,35,38,41(45),42-henicosaene;3,25-diphenyl-9,31-dioxa-5,27-diazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.08,16.010,15.028,40.030,38.032,37.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,10,12,14,16,19(46),20,22,25,28(40),29,32,34,36,38,41(45),42-henicosaene;3,25-diphenyl-14,36-dioxa-5,27-diazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.07,15.08,13.028,40.029,37.030,35.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7(15),8,10,12,16,19(46),20,22,25,28(40),29(37),30,32,34,38,41(45),42-henicosaene;3,25-diphenyl-15,37-dioxa-5,27-diazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.08,16.09,14.028,40.030,38.031,36.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,9,11,13,16,19(46),20,22,25,28(40),29,31,33,35,38,41(45),42-henicosaene;7,29-diphenyl-1,7,23,29-tetrazatridecacyclo[25.17.1.15,16.02,26.04,24.06,14.08,13.017,22.028,36.030,35.038,45.039,44.023,46]hexatetraconta-2(26),3,5,8,10,12,14,16(46),17,19,21,24,27,30,32,34,36,38(45),39,41,43-henicosaene;13,35-diphenyl-1,13,23,35-tetrazatridecacyclo[25.17.1.15,16.02,26.04,24.06,14.07,12.017,22.028,36.029,34.038,45.039,44.023,46]hexatetraconta-2(26),3,5(46),6(14),7,9,11,15,17,19,21,24,27(45),28(36),29,31,33,37,39,41,43-henicosaene

3,25-diphenyl-8,30-dioxa-5,27-diazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.07,15.09,14.028,40.029,37.031,36.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7(15),9,11,13,16,19(46),20,22,25,28(40),29(37),31,33,35,38,41(45),42-henicosaene;3,25-diphenyl-9,31-dioxa-5,27-diazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.08,16.010,15.028,40.030,38.032,37.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,10,12,14,16,19(46),20,22,25,28(40),29,32,34,36,38,41(45),42-henicosaene;3,25-diphenyl-14,36-dioxa-5,27-diazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.07,15.08,13.028,40.029,37.030,35.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7(15),8,10,12,16,19(46),20,22,25,28(40),29(37),30,32,34,38,41(45),42-henicosaene;3,25-diphenyl-15,37-dioxa-5,27-diazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.08,16.09,14.028,40.030,38.031,36.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,9,11,13,16,19(46),20,22,25,28(40),29,31,33,35,38,41(45),42-henicosaene;7,29-diphenyl-1,7,23,29-tetrazatridecacyclo[25.17.1.15,16.02,26.04,24.06,14.08,13.017,22.028,36.030,35.038,45.039,44.023,46]hexatetraconta-2(26),3,5,8,10,12,14,16(46),17,19,21,24,27,30,32,34,36,38(45),39,41,43-henicosaene;13,35-diphenyl-1,13,23,35-tetrazatridecacyclo[25.17.1.15,16.02,26.04,24.06,14.07,12.017,22.028,36.029,34.038,45.039,44.023,46]hexatetraconta-2(26),3,5(46),6(14),7,9,11,15,17,19,21,24,27(45),28(36),29,31,33,37,39,41,43-henicosaene (PubChem CID 157139181) has the molecular formula C324H172N16O8 and a molecular weight of 4417.04 g/mol. Its IUPAC name is 3,25-diphenyl-8,30-dioxa-5,27-diazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.07,15.09,14.028,40.029,37.031,36.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7(15),9,11,13,16,19(46),20,22,25,28(40),29(37),31,33,35,38,41(45),42-henicosaene;3,25-diphenyl-9,31-dioxa-5,27-diazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.08,16.010,15.028,40.030,38.032,37.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,10,12,14,16,19(46),20,22,25,28(40),29,32,34,36,38,41(45),42-henicosaene;3,25-diphenyl-14,36-dioxa-5,27-diazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.07,15.08,13.028,40.029,37.030,35.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7(15),8,10,12,16,19(46),20,22,25,28(40),29(37),30,32,34,38,41(45),42-henicosaene;3,25-diphenyl-15,37-dioxa-5,27-diazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.08,16.09,14.028,40.030,38.031,36.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,9,11,13,16,19(46),20,22,25,28(40),29,31,33,35,38,41(45),42-henicosaene;7,29-diphenyl-1,7,23,29-tetrazatridecacyclo[25.17.1.15,16.02,26.04,24.06,14.08,13.017,22.028,36.030,35.038,45.039,44.023,46]hexatetraconta-2(26),3,5,8,10,12,14,16(46),17,19,21,24,27,30,32,34,36,38(45),39,41,43-henicosaene;13,35-diphenyl-1,13,23,35-tetrazatridecacyclo[25.17.1.15,16.02,26.04,24.06,14.07,12.017,22.028,36.029,34.038,45.039,44.023,46]hexatetraconta-2(26),3,5(46),6(14),7,9,11,15,17,19,21,24,27(45),28(36),29,31,33,37,39,41,43-henicosaene.

Molecular Properties

Compound Name3,25-diphenyl-8,30-dioxa-5,27-diazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.07,15.09,14.028,40.029,37.031,36.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7(15),9,11,13,16,19(46),20,22,25,28(40),29(37),31,33,35,38,41(45),42-henicosaene;3,25-diphenyl-9,31-dioxa-5,27-diazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.08,16.010,15.028,40.030,38.032,37.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,10,12,14,16,19(46),20,22,25,28(40),29,32,34,36,38,41(45),42-henicosaene;3,25-diphenyl-14,36-dioxa-5,27-diazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.07,15.08,13.028,40.029,37.030,35.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7(15),8,10,12,16,19(46),20,22,25,28(40),29(37),30,32,34,38,41(45),42-henicosaene;3,25-diphenyl-15,37-dioxa-5,27-diazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.08,16.09,14.028,40.030,38.031,36.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,9,11,13,16,19(46),20,22,25,28(40),29,31,33,35,38,41(45),42-henicosaene;7,29-diphenyl-1,7,23,29-tetrazatridecacyclo[25.17.1.15,16.02,26.04,24.06,14.08,13.017,22.028,36.030,35.038,45.039,44.023,46]hexatetraconta-2(26),3,5,8,10,12,14,16(46),17,19,21,24,27,30,32,34,36,38(45),39,41,43-henicosaene;13,35-diphenyl-1,13,23,35-tetrazatridecacyclo[25.17.1.15,16.02,26.04,24.06,14.07,12.017,22.028,36.029,34.038,45.039,44.023,46]hexatetraconta-2(26),3,5(46),6(14),7,9,11,15,17,19,21,24,27(45),28(36),29,31,33,37,39,41,43-henicosaene
PubChem CID157139181
Molecular FormulaC324H172N16O8
Molecular Weight4417.04 g/mol
Exact Mass4413.35
IUPAC Name3,25-diphenyl-8,30-dioxa-5,27-diazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.07,15.09,14.028,40.029,37.031,36.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7(15),9,11,13,16,19(46),20,22,25,28(40),29(37),31,33,35,38,41(45),42-henicosaene;3,25-diphenyl-9,31-dioxa-5,27-diazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.08,16.010,15.028,40.030,38.032,37.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,10,12,14,16,19(46),20,22,25,28(40),29,32,34,36,38,41(45),42-henicosaene;3,25-diphenyl-14,36-dioxa-5,27-diazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.07,15.08,13.028,40.029,37.030,35.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7(15),8,10,12,16,19(46),20,22,25,28(40),29(37),30,32,34,38,41(45),42-henicosaene;3,25-diphenyl-15,37-dioxa-5,27-diazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.08,16.09,14.028,40.030,38.031,36.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,9,11,13,16,19(46),20,22,25,28(40),29,31,33,35,38,41(45),42-henicosaene;7,29-diphenyl-1,7,23,29-tetrazatridecacyclo[25.17.1.15,16.02,26.04,24.06,14.08,13.017,22.028,36.030,35.038,45.039,44.023,46]hexatetraconta-2(26),3,5,8,10,12,14,16(46),17,19,21,24,27,30,32,34,36,38(45),39,41,43-henicosaene;13,35-diphenyl-1,13,23,35-tetrazatridecacyclo[25.17.1.15,16.02,26.04,24.06,14.07,12.017,22.028,36.029,34.038,45.039,44.023,46]hexatetraconta-2(26),3,5(46),6(14),7,9,11,15,17,19,21,24,27(45),28(36),29,31,33,37,39,41,43-henicosaene
SMILESc1ccc(-c2c3c4cccc5c6cc7c(cc6n(c3c(-c3ccccc3)c3c6cccc8c9cc%10c(cc9n(c23)c86)oc2ccccc2%10)c54)oc2ccccc27)cc1.c1ccc(-c2c3c4cccc5c6cc7oc8ccccc8c7cc6n(c3c(-c3ccccc3)c3c6cccc7c8cc9oc%10ccccc%10c9cc8n(c23)c76)c54)cc1.c1ccc(-c2c3c4cccc5c6ccc7c8ccccc8oc7c6n(c3c(-c3ccccc3)c3c6cccc7c8ccc9c%10ccccc%10oc9c8n(c23)c76)c54)cc1.c1ccc(-c2c3c4cccc5c6ccc7oc8ccccc8c7c6n(c3c(-c3ccccc3)c3c6cccc7c8ccc9oc%10ccccc%10c9c8n(c23)c76)c54)cc1.c1ccc(-n2c3ccccc3c3c4c5cc6c(cc5n5c7ccccc7c(cc32)c45)c2c3c4ccccc4n(-c4ccccc4)c3cc3c4ccccc4n6c32)cc1.c1ccc(-n2c3ccccc3c3cc4c5ccccc5n5c6cc7c8c9c(cc%10c%11ccccc%11n(c7cc6c(c32)c45)c%108)c2ccccc2n9-c2ccccc2)cc1
InChIInChI=1S/2C54H30N4.4C54H28N2O2/c1-3-15-31(16-4-1)55-43-25-13-9-21-35(43)49-47(55)27-37-33-19-7-11-23-41(33)57-45-30-40-46(29-39(45)51(49)53(37)57)58-42-24-12-8-20-34(42)38-28-48-50(52(40)54(38)58)36-22-10-14-26-44(36)56(48)32-17-5-2-6-18-32;1-3-15-31(16-4-1)55-43-23-11-7-19-33(43)37-27-39-35-21-9-13-25-45(35)57-47-30-42-48(29-41(47)49(51(37)55)53(39)57)58-46-26-14-10-22-36(46)40-28-38-34-20-8-12-24-44(34)56(32-17-5-2-6-18-32)52(38)50(42)54(40)58;1-3-13-29(14-4-1)47-49-35-21-11-19-33-38-28-46-40(32-18-8-10-24-44(32)58-46)26-42(38)56(51(33)35)54(49)48(30-15-5-2-6-16-30)50-36-22-12-20-34-37-27-45-39(31-17-7-9-23-43(31)57-45)25-41(37)55(52(34)36)53(47)50;1-3-13-29(14-4-1)47-49-35-21-11-19-33-38-26-40-32-18-8-10-24-44(32)58-46(40)28-42(38)56(51(33)35)54(49)48(30-15-5-2-6-16-30)50-36-22-12-20-34-37-25-39-31-17-7-9-23-43(31)57-45(39)27-41(37)55(52(34)36)53(47)50;1-3-13-29(14-4-1)43-47-37-21-11-19-31-34-26-28-42-46(36-18-8-10-24-40(36)58-42)52(34)56(49(31)37)54(47)44(30-15-5-2-6-16-30)48-38-22-12-20-32-33-25-27-41-45(35-17-7-9-23-39(35)57-41)51(33)55(50(32)38)53(43)48;1-3-13-29(14-4-1)43-45-39-21-11-19-33-36-26-28-38-32-18-8-10-24-42(32)58-54(38)50(36)56(47(33)39)52(45)44(30-15-5-2-6-16-30)46-40-22-12-20-34-35-25-27-37-31-17-7-9-23-41(31)57-53(37)49(35)55(48(34)40)51(43)46/h2*1-30H;4*1-28H
InChIKeyAJZIECMXPLUTHA-UHFFFAOYSA-N
XLogP88.84
TPSA177.76 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds12
Heavy Atoms348
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004417.04
LogP ≤ 588.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze 3,25-diphenyl-8,30-dioxa-5,27-diazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.07,15.09,14.028,40.029,37.031,36.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7(15),9,11,13,16,19(46),20,22,25,28(40),29(37),31,33,35,38,41(45),42-henicosaene;3,25-diphenyl-9,31-dioxa-5,27-diazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.08,16.010,15.028,40.030,38.032,37.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,10,12,14,16,19(46),20,22,25,28(40),29,32,34,36,38,41(45),42-henicosaene;3,25-diphenyl-14,36-dioxa-5,27-diazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.07,15.08,13.028,40.029,37.030,35.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7(15),8,10,12,16,19(46),20,22,25,28(40),29(37),30,32,34,38,41(45),42-henicosaene;3,25-diphenyl-15,37-dioxa-5,27-diazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.08,16.09,14.028,40.030,38.031,36.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,9,11,13,16,19(46),20,22,25,28(40),29,31,33,35,38,41(45),42-henicosaene;7,29-diphenyl-1,7,23,29-tetrazatridecacyclo[25.17.1.15,16.02,26.04,24.06,14.08,13.017,22.028,36.030,35.038,45.039,44.023,46]hexatetraconta-2(26),3,5,8,10,12,14,16(46),17,19,21,24,27,30,32,34,36,38(45),39,41,43-henicosaene;13,35-diphenyl-1,13,23,35-tetrazatridecacyclo[25.17.1.15,16.02,26.04,24.06,14.07,12.017,22.028,36.029,34.038,45.039,44.023,46]hexatetraconta-2(26),3,5(46),6(14),7,9,11,15,17,19,21,24,27(45),28(36),29,31,33,37,39,41,43-henicosaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,14,23-Trifluoro-9,18-diphenyl-21-oxa-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3(8),4,6,10,12(17),13,15,19,22(27),23,25-dodecaene
CID 118634490
N-(4-fluorophenyl)-N-naphthalen-1-yl-29-(3-naphthalen-1-ylphenyl)-9,24-dioxa-29-azaoctacyclo[24.2.1.02,10.03,8.012,28.015,27.017,25.018,23]nonacosa-1(28),2(10),3(8),4,6,11,13,15,17(25),18,20,22,26-tridecaen-7-amine
CID 130381860
2-([1]Benzofuro[3,2-a]carbazol-12-yl)-6-[4-[12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-2-cyano-4-[2-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazol-9-yl]-[1]benzofuro[3,2-a]carbazol-12-yl]-3-[2-(trifluoromethyl)phenyl]benzonitrile
CID 137386371
12-[3-([1]Benzofuro[2,3-a]carbazol-12-yl)-2,5-dicyclohexyl-4,6-bis[2-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole
CID 139552723
12-[3-([1]Benzofuro[2,3-a]carbazol-12-yl)-2,5-diethyl-4,6-bis[2-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole
CID 139552724
5-[3-([1]Benzofuro[3,2-c]carbazol-5-yl)-2,5-bis(2-carbazol-9-ylpropan-2-yl)-4,6-bis(4-fluorophenyl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 139552777
5-[3-([1]Benzofuro[3,2-c]carbazol-5-yl)-2,5-bis(2-carbazol-9-ylpropan-2-yl)-4,6-bis[3-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 139552826
12-[3-([1]Benzofuro[3,2-a]carbazol-12-yl)-2,5-bis(2-carbazol-9-ylpropan-2-yl)-4,6-bis[2-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-a]carbazole
CID 139552853
12-[3-([1]Benzofuro[2,3-a]carbazol-12-yl)-2-(2-carbazol-9-ylpropan-2-yl)-4,6-bis[2-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole
CID 139552854
5-[3-([1]Benzofuro[3,2-c]carbazol-5-yl)-2,5-bis(2-carbazol-9-ylpropan-2-yl)-4,6-bis(2-fluorophenyl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 139552870
12-[4-([1]Benzofuro[3,2-a]carbazol-12-yl)-2,6-bis(2-carbazol-9-ylpropan-2-yl)-3,5-bis(2-fluorophenyl)phenyl]-[1]benzofuro[3,2-a]carbazole
CID 139552962
12-[5-([1]Benzofuro[2,3-a]carbazol-12-yl)-2,4-bis(2-fluorophenyl)-3,6-dimethylphenyl]-[1]benzofuro[2,3-a]carbazole
CID 139553231

Frequently Asked Questions

What is the IUPAC name of 3,25-diphenyl-8,30-dioxa-5,27-diazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.07,15.09,14.028,40.029,37.031,36.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7(15),9,11,13,16,19(46),20,22,25,28(40),29(37),31,33,35,38,41(45),42-henicosaene;3,25-diphenyl-9,31-dioxa-5,27-diazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.08,16.010,15.028,40.030,38.032,37.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,10,12,14,16,19(46),20,22,25,28(40),29,32,34,36,38,41(45),42-henicosaene;3,25-diphenyl-14,36-dioxa-5,27-diazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.07,15.08,13.028,40.029,37.030,35.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7(15),8,10,12,16,19(46),20,22,25,28(40),29(37),30,32,34,38,41(45),42-henicosaene;3,25-diphenyl-15,37-dioxa-5,27-diazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.08,16.09,14.028,40.030,38.031,36.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,9,11,13,16,19(46),20,22,25,28(40),29,31,33,35,38,41(45),42-henicosaene;7,29-diphenyl-1,7,23,29-tetrazatridecacyclo[25.17.1.15,16.02,26.04,24.06,14.08,13.017,22.028,36.030,35.038,45.039,44.023,46]hexatetraconta-2(26),3,5,8,10,12,14,16(46),17,19,21,24,27,30,32,34,36,38(45),39,41,43-henicosaene;13,35-diphenyl-1,13,23,35-tetrazatridecacyclo[25.17.1.15,16.02,26.04,24.06,14.07,12.017,22.028,36.029,34.038,45.039,44.023,46]hexatetraconta-2(26),3,5(46),6(14),7,9,11,15,17,19,21,24,27(45),28(36),29,31,33,37,39,41,43-henicosaene?
The IUPAC name of 3,25-diphenyl-8,30-dioxa-5,27-diazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.07,15.09,14.028,40.029,37.031,36.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7(15),9,11,13,16,19(46),20,22,25,28(40),29(37),31,33,35,38,41(45),42-henicosaene;3,25-diphenyl-9,31-dioxa-5,27-diazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.08,16.010,15.028,40.030,38.032,37.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,10,12,14,16,19(46),20,22,25,28(40),29,32,34,36,38,41(45),42-henicosaene;3,25-diphenyl-14,36-dioxa-5,27-diazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.07,15.08,13.028,40.029,37.030,35.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7(15),8,10,12,16,19(46),20,22,25,28(40),29(37),30,32,34,38,41(45),42-henicosaene;3,25-diphenyl-15,37-dioxa-5,27-diazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.08,16.09,14.028,40.030,38.031,36.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,9,11,13,16,19(46),20,22,25,28(40),29,31,33,35,38,41(45),42-henicosaene;7,29-diphenyl-1,7,23,29-tetrazatridecacyclo[25.17.1.15,16.02,26.04,24.06,14.08,13.017,22.028,36.030,35.038,45.039,44.023,46]hexatetraconta-2(26),3,5,8,10,12,14,16(46),17,19,21,24,27,30,32,34,36,38(45),39,41,43-henicosaene;13,35-diphenyl-1,13,23,35-tetrazatridecacyclo[25.17.1.15,16.02,26.04,24.06,14.07,12.017,22.028,36.029,34.038,45.039,44.023,46]hexatetraconta-2(26),3,5(46),6(14),7,9,11,15,17,19,21,24,27(45),28(36),29,31,33,37,39,41,43-henicosaene (CID 157139181) is 3,25-diphenyl-8,30-dioxa-5,27-diazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.07,15.09,14.028,40.029,37.031,36.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7(15),9,11,13,16,19(46),20,22,25,28(40),29(37),31,33,35,38,41(45),42-henicosaene;3,25-diphenyl-9,31-dioxa-5,27-diazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.08,16.010,15.028,40.030,38.032,37.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,10,12,14,16,19(46),20,22,25,28(40),29,32,34,36,38,41(45),42-henicosaene;3,25-diphenyl-14,36-dioxa-5,27-diazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.07,15.08,13.028,40.029,37.030,35.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7(15),8,10,12,16,19(46),20,22,25,28(40),29(37),30,32,34,38,41(45),42-henicosaene;3,25-diphenyl-15,37-dioxa-5,27-diazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.08,16.09,14.028,40.030,38.031,36.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,9,11,13,16,19(46),20,22,25,28(40),29,31,33,35,38,41(45),42-henicosaene;7,29-diphenyl-1,7,23,29-tetrazatridecacyclo[25.17.1.15,16.02,26.04,24.06,14.08,13.017,22.028,36.030,35.038,45.039,44.023,46]hexatetraconta-2(26),3,5,8,10,12,14,16(46),17,19,21,24,27,30,32,34,36,38(45),39,41,43-henicosaene;13,35-diphenyl-1,13,23,35-tetrazatridecacyclo[25.17.1.15,16.02,26.04,24.06,14.07,12.017,22.028,36.029,34.038,45.039,44.023,46]hexatetraconta-2(26),3,5(46),6(14),7,9,11,15,17,19,21,24,27(45),28(36),29,31,33,37,39,41,43-henicosaene.
What is the SMILES notation for 3,25-diphenyl-8,30-dioxa-5,27-diazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.07,15.09,14.028,40.029,37.031,36.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7(15),9,11,13,16,19(46),20,22,25,28(40),29(37),31,33,35,38,41(45),42-henicosaene;3,25-diphenyl-9,31-dioxa-5,27-diazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.08,16.010,15.028,40.030,38.032,37.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,10,12,14,16,19(46),20,22,25,28(40),29,32,34,36,38,41(45),42-henicosaene;3,25-diphenyl-14,36-dioxa-5,27-diazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.07,15.08,13.028,40.029,37.030,35.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7(15),8,10,12,16,19(46),20,22,25,28(40),29(37),30,32,34,38,41(45),42-henicosaene;3,25-diphenyl-15,37-dioxa-5,27-diazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.08,16.09,14.028,40.030,38.031,36.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,9,11,13,16,19(46),20,22,25,28(40),29,31,33,35,38,41(45),42-henicosaene;7,29-diphenyl-1,7,23,29-tetrazatridecacyclo[25.17.1.15,16.02,26.04,24.06,14.08,13.017,22.028,36.030,35.038,45.039,44.023,46]hexatetraconta-2(26),3,5,8,10,12,14,16(46),17,19,21,24,27,30,32,34,36,38(45),39,41,43-henicosaene;13,35-diphenyl-1,13,23,35-tetrazatridecacyclo[25.17.1.15,16.02,26.04,24.06,14.07,12.017,22.028,36.029,34.038,45.039,44.023,46]hexatetraconta-2(26),3,5(46),6(14),7,9,11,15,17,19,21,24,27(45),28(36),29,31,33,37,39,41,43-henicosaene?
The canonical SMILES for 3,25-diphenyl-8,30-dioxa-5,27-diazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.07,15.09,14.028,40.029,37.031,36.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7(15),9,11,13,16,19(46),20,22,25,28(40),29(37),31,33,35,38,41(45),42-henicosaene;3,25-diphenyl-9,31-dioxa-5,27-diazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.08,16.010,15.028,40.030,38.032,37.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,10,12,14,16,19(46),20,22,25,28(40),29,32,34,36,38,41(45),42-henicosaene;3,25-diphenyl-14,36-dioxa-5,27-diazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.07,15.08,13.028,40.029,37.030,35.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7(15),8,10,12,16,19(46),20,22,25,28(40),29(37),30,32,34,38,41(45),42-henicosaene;3,25-diphenyl-15,37-dioxa-5,27-diazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.08,16.09,14.028,40.030,38.031,36.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,9,11,13,16,19(46),20,22,25,28(40),29,31,33,35,38,41(45),42-henicosaene;7,29-diphenyl-1,7,23,29-tetrazatridecacyclo[25.17.1.15,16.02,26.04,24.06,14.08,13.017,22.028,36.030,35.038,45.039,44.023,46]hexatetraconta-2(26),3,5,8,10,12,14,16(46),17,19,21,24,27,30,32,34,36,38(45),39,41,43-henicosaene;13,35-diphenyl-1,13,23,35-tetrazatridecacyclo[25.17.1.15,16.02,26.04,24.06,14.07,12.017,22.028,36.029,34.038,45.039,44.023,46]hexatetraconta-2(26),3,5(46),6(14),7,9,11,15,17,19,21,24,27(45),28(36),29,31,33,37,39,41,43-henicosaene is c1ccc(-c2c3c4cccc5c6cc7c(cc6n(c3c(-c3ccccc3)c3c6cccc8c9cc%10c(cc9n(c23)c86)oc2ccccc2%10)c54)oc2ccccc27)cc1.c1ccc(-c2c3c4cccc5c6cc7oc8ccccc8c7cc6n(c3c(-c3ccccc3)c3c6cccc7c8cc9oc%10ccccc%10c9cc8n(c23)c76)c54)cc1.c1ccc(-c2c3c4cccc5c6ccc7c8ccccc8oc7c6n(c3c(-c3ccccc3)c3c6cccc7c8ccc9c%10ccccc%10oc9c8n(c23)c76)c54)cc1.c1ccc(-c2c3c4cccc5c6ccc7oc8ccccc8c7c6n(c3c(-c3ccccc3)c3c6cccc7c8ccc9oc%10ccccc%10c9c8n(c23)c76)c54)cc1.c1ccc(-n2c3ccccc3c3c4c5cc6c(cc5n5c7ccccc7c(cc32)c45)c2c3c4ccccc4n(-c4ccccc4)c3cc3c4ccccc4n6c32)cc1.c1ccc(-n2c3ccccc3c3cc4c5ccccc5n5c6cc7c8c9c(cc%10c%11ccccc%11n(c7cc6c(c32)c45)c%108)c2ccccc2n9-c2ccccc2)cc1.
What is the InChIKey of 3,25-diphenyl-8,30-dioxa-5,27-diazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.07,15.09,14.028,40.029,37.031,36.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7(15),9,11,13,16,19(46),20,22,25,28(40),29(37),31,33,35,38,41(45),42-henicosaene;3,25-diphenyl-9,31-dioxa-5,27-diazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.08,16.010,15.028,40.030,38.032,37.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,10,12,14,16,19(46),20,22,25,28(40),29,32,34,36,38,41(45),42-henicosaene;3,25-diphenyl-14,36-dioxa-5,27-diazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.07,15.08,13.028,40.029,37.030,35.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7(15),8,10,12,16,19(46),20,22,25,28(40),29(37),30,32,34,38,41(45),42-henicosaene;3,25-diphenyl-15,37-dioxa-5,27-diazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.08,16.09,14.028,40.030,38.031,36.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,9,11,13,16,19(46),20,22,25,28(40),29,31,33,35,38,41(45),42-henicosaene;7,29-diphenyl-1,7,23,29-tetrazatridecacyclo[25.17.1.15,16.02,26.04,24.06,14.08,13.017,22.028,36.030,35.038,45.039,44.023,46]hexatetraconta-2(26),3,5,8,10,12,14,16(46),17,19,21,24,27,30,32,34,36,38(45),39,41,43-henicosaene;13,35-diphenyl-1,13,23,35-tetrazatridecacyclo[25.17.1.15,16.02,26.04,24.06,14.07,12.017,22.028,36.029,34.038,45.039,44.023,46]hexatetraconta-2(26),3,5(46),6(14),7,9,11,15,17,19,21,24,27(45),28(36),29,31,33,37,39,41,43-henicosaene?
The InChIKey is AJZIECMXPLUTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C54H30N4.4C54H28N2O2/c1-3-15-31(16-4-1)55-43-25-13-9-21-35(43)49-47(55)27-37-33-19-7-11-23-41(33)57-45-30-40-46(29-39(45)51(49)53(37)57)58-42-24-12-8-20-34(42)38-28-48-50(52(40)54(38)58)36-22-10-14-26-44(36)56(48)32-17-5-2-6-18-32;1-3-15-31(16-4-1)55-43-23-11-7-19-33(43)37-27-39-35-21-9-13-25-45(35)57-47-30-42-48(29-41(47)49(51(37)55)53(39)57)58-46-26-14-10-22-36(46)40-28-38-34-20-8-12-24-44(34)56(32-17-5-2-6-18-32)52(38)50(42)54(40)58;1-3-13-29(14-4-1)47-49-35-21-11-19-33-38-28-46-40(32-18-8-10-24-44(32)58-46)26-42(38)56(51(33)35)54(49)48(30-15-5-2-6-16-30)50-36-22-12-20-34-37-27-45-39(31-17-7-9-23-43(31)57-45)25-41(37)55(52(34)36)53(47)50;1-3-13-29(14-4-1)47-49-35-21-11-19-33-38-26-40-32-18-8-10-24-44(32)58-46(40)28-42(38)56(51(33)35)54(49)48(30-15-5-2-6-16-30)50-36-22-12-20-34-37-25-39-31-17-7-9-23-43(31)57-45(39)27-41(37)55(52(34)36)53(47)50;1-3-13-29(14-4-1)43-47-37-21-11-19-31-34-26-28-42-46(36-18-8-10-24-40(36)58-42)52(34)56(49(31)37)54(47)44(30-15-5-2-6-16-30)48-38-22-12-20-32-33-25-27-41-45(35-17-7-9-23-39(35)57-41)51(33)55(50(32)38)53(43)48;1-3-13-29(14-4-1)43-45-39-21-11-19-33-36-26-28-38-32-18-8-10-24-42(32)58-54(38)50(36)56(47(33)39)52(45)44(30-15-5-2-6-16-30)46-40-22-12-20-34-35-25-27-37-31-17-7-9-23-41(31)57-53(37)49(35)55(48(34)40)51(43)46/h2*1-30H;4*1-28H.
What are the key properties of 3,25-diphenyl-8,30-dioxa-5,27-diazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.07,15.09,14.028,40.029,37.031,36.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7(15),9,11,13,16,19(46),20,22,25,28(40),29(37),31,33,35,38,41(45),42-henicosaene;3,25-diphenyl-9,31-dioxa-5,27-diazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.08,16.010,15.028,40.030,38.032,37.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,10,12,14,16,19(46),20,22,25,28(40),29,32,34,36,38,41(45),42-henicosaene;3,25-diphenyl-14,36-dioxa-5,27-diazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.07,15.08,13.028,40.029,37.030,35.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7(15),8,10,12,16,19(46),20,22,25,28(40),29(37),30,32,34,38,41(45),42-henicosaene;3,25-diphenyl-15,37-dioxa-5,27-diazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.08,16.09,14.028,40.030,38.031,36.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,9,11,13,16,19(46),20,22,25,28(40),29,31,33,35,38,41(45),42-henicosaene;7,29-diphenyl-1,7,23,29-tetrazatridecacyclo[25.17.1.15,16.02,26.04,24.06,14.08,13.017,22.028,36.030,35.038,45.039,44.023,46]hexatetraconta-2(26),3,5,8,10,12,14,16(46),17,19,21,24,27,30,32,34,36,38(45),39,41,43-henicosaene;13,35-diphenyl-1,13,23,35-tetrazatridecacyclo[25.17.1.15,16.02,26.04,24.06,14.07,12.017,22.028,36.029,34.038,45.039,44.023,46]hexatetraconta-2(26),3,5(46),6(14),7,9,11,15,17,19,21,24,27(45),28(36),29,31,33,37,39,41,43-henicosaene?
3,25-diphenyl-8,30-dioxa-5,27-diazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.07,15.09,14.028,40.029,37.031,36.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7(15),9,11,13,16,19(46),20,22,25,28(40),29(37),31,33,35,38,41(45),42-henicosaene;3,25-diphenyl-9,31-dioxa-5,27-diazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.08,16.010,15.028,40.030,38.032,37.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,10,12,14,16,19(46),20,22,25,28(40),29,32,34,36,38,41(45),42-henicosaene;3,25-diphenyl-14,36-dioxa-5,27-diazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.07,15.08,13.028,40.029,37.030,35.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7(15),8,10,12,16,19(46),20,22,25,28(40),29(37),30,32,34,38,41(45),42-henicosaene;3,25-diphenyl-15,37-dioxa-5,27-diazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.08,16.09,14.028,40.030,38.031,36.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,9,11,13,16,19(46),20,22,25,28(40),29,31,33,35,38,41(45),42-henicosaene;7,29-diphenyl-1,7,23,29-tetrazatridecacyclo[25.17.1.15,16.02,26.04,24.06,14.08,13.017,22.028,36.030,35.038,45.039,44.023,46]hexatetraconta-2(26),3,5,8,10,12,14,16(46),17,19,21,24,27,30,32,34,36,38(45),39,41,43-henicosaene;13,35-diphenyl-1,13,23,35-tetrazatridecacyclo[25.17.1.15,16.02,26.04,24.06,14.07,12.017,22.028,36.029,34.038,45.039,44.023,46]hexatetraconta-2(26),3,5(46),6(14),7,9,11,15,17,19,21,24,27(45),28(36),29,31,33,37,39,41,43-henicosaene has a molecular weight of 4417.04 g/mol, XLogP of 88.84, 12 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 3,25-diphenyl-8,30-dioxa-5,27-diazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.07,15.09,14.028,40.029,37.031,36.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7(15),9,11,13,16,19(46),20,22,25,28(40),29(37),31,33,35,38,41(45),42-henicosaene;3,25-diphenyl-9,31-dioxa-5,27-diazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.08,16.010,15.028,40.030,38.032,37.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,10,12,14,16,19(46),20,22,25,28(40),29,32,34,36,38,41(45),42-henicosaene;3,25-diphenyl-14,36-dioxa-5,27-diazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.07,15.08,13.028,40.029,37.030,35.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7(15),8,10,12,16,19(46),20,22,25,28(40),29(37),30,32,34,38,41(45),42-henicosaene;3,25-diphenyl-15,37-dioxa-5,27-diazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.08,16.09,14.028,40.030,38.031,36.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,9,11,13,16,19(46),20,22,25,28(40),29,31,33,35,38,41(45),42-henicosaene;7,29-diphenyl-1,7,23,29-tetrazatridecacyclo[25.17.1.15,16.02,26.04,24.06,14.08,13.017,22.028,36.030,35.038,45.039,44.023,46]hexatetraconta-2(26),3,5,8,10,12,14,16(46),17,19,21,24,27,30,32,34,36,38(45),39,41,43-henicosaene;13,35-diphenyl-1,13,23,35-tetrazatridecacyclo[25.17.1.15,16.02,26.04,24.06,14.07,12.017,22.028,36.029,34.038,45.039,44.023,46]hexatetraconta-2(26),3,5(46),6(14),7,9,11,15,17,19,21,24,27(45),28(36),29,31,33,37,39,41,43-henicosaene is sourced from PubChem (CID 157139181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).