3,7,25,29-tetraphenyl-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;3,10,25,32-tetraphenyl-5,10,27,32-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.09,17.011,16.028,40.031,39.033,38.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,9(17),11,13,15,19(46),20,22,25,28(40),29,31(39),33,35,37,41(45),42-henicosaene;3,13,25,35-tetraphenyl-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;3,16,25,38-tetraphenyl-5,16,27,38-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.09,17.010,15.028,40.031,39.032,37.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,9(17),10,12,14,19(46),20,22,25,28(40),29,31(39),32,34,36,41(45),42-henicosaene

C264H152N16 — CID 159222947

IUPAC3,7,25,29-tetraphenyl-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;3,10,25,32-tetraphenyl-5,10,27,32-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.09,17.011,16.028,40.031,39.033,38.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,9(17),11,13,15,19(46),20,22,25,28(40),29,31(39),33,35,37,41(45),42-henicosaene;3,13,25,35-tetraphenyl-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;3,16,25,38-tetraphenyl-5,16,27,38-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.09,17.010,15.028,40.031,39.032,37.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,9(17),10,12,14,19(46),20,22,25,28(40),29,31(39),32,34,36,41(45),42-henicosaene
SMILESc1ccc(-c2c3c4c5c(cc6c7ccccc7n(c3c(-c3ccccc3)c3c7c8c(cc9c%10ccccc%10n(c23)c97)c2ccccc2n8-c2ccccc2)c64)c2ccccc2n5-c2ccccc2)cc1.c1ccc(-c2c3c4c5c6ccccc6n(-c6ccccc6)c5cc5c6ccccc6n(c3c(-c3ccccc3)c3c6c7c8ccccc8n(-c8ccccc8)c7cc7c8ccccc8n(c23)c76)c54)cc1.c1ccc(-c2c3c4cccc5c6c7c(ccc6n(c3c(-c3ccccc3)c3c6cccc8c9c%10c(ccc9n(c23)c68)c2ccccc2n%10-c2ccccc2)c45)c2ccccc2n7-c2ccccc2)cc1.c1ccc(-c2c3c4cccc5c6c7c8ccccc8n(-c8ccccc8)c7ccc6n(c3c(-c3ccccc3)c3c6cccc7c8c9c%10ccccc%10n(-c%10ccccc%10)c9ccc8n(c23)c67)c45)cc1
InChIInChI=1S/4C66H38N4/c1-5-21-39(22-6-1)55-59-61-57-45-31-15-19-35-51(45)67(41-25-9-3-10-26-41)53(57)37-47-44-30-14-18-34-50(44)70(63(47)61)66(59)56(40-23-7-2-8-24-40)60-62-58-46-32-16-20-36-52(46)68(42-27-11-4-12-28-42)54(58)38-48-43-29-13-17-33-49(43)69(64(48)62)65(55)60;1-5-21-39(22-6-1)55-57-59-61-47(43-29-13-17-33-51(43)67(61)41-25-9-3-10-26-41)37-49-46-32-16-20-36-54(46)70(63(49)59)66(57)56(40-23-7-2-8-24-40)58-60-62-48(38-50-45-31-15-19-35-53(45)69(64(50)60)65(55)58)44-30-14-18-34-52(44)68(62)42-27-11-4-12-28-42;1-5-19-39(20-6-1)55-59-49-31-17-29-47-58-54(38-36-46-44-28-14-16-34-52(44)68(64(46)58)42-25-11-4-12-26-42)70(61(47)49)66(59)56(40-21-7-2-8-22-40)60-50-32-18-30-48-57-53(69(62(48)50)65(55)60)37-35-45-43-27-13-15-33-51(43)67(63(45)57)41-23-9-3-10-24-41;1-5-19-39(20-6-1)55-61-47-31-17-29-45-60-54(38-36-52-58(60)44-28-14-16-34-50(44)68(52)42-25-11-4-12-26-42)70(63(45)47)66(61)56(40-21-7-2-8-22-40)62-48-32-18-30-46-59-53(69(64(46)48)65(55)62)37-35-51-57(59)43-27-13-15-33-49(43)67(51)41-23-9-3-10-24-41/h4*1-38H
InChIKeyKRXTUQLBWBQIDO-UHFFFAOYSA-N
MW3548.23 g/mol
LogP70.06
Rot. Bonds16

About 3,7,25,29-tetraphenyl-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;3,10,25,32-tetraphenyl-5,10,27,32-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.09,17.011,16.028,40.031,39.033,38.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,9(17),11,13,15,19(46),20,22,25,28(40),29,31(39),33,35,37,41(45),42-henicosaene;3,13,25,35-tetraphenyl-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;3,16,25,38-tetraphenyl-5,16,27,38-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.09,17.010,15.028,40.031,39.032,37.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,9(17),10,12,14,19(46),20,22,25,28(40),29,31(39),32,34,36,41(45),42-henicosaene

3,7,25,29-tetraphenyl-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;3,10,25,32-tetraphenyl-5,10,27,32-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.09,17.011,16.028,40.031,39.033,38.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,9(17),11,13,15,19(46),20,22,25,28(40),29,31(39),33,35,37,41(45),42-henicosaene;3,13,25,35-tetraphenyl-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;3,16,25,38-tetraphenyl-5,16,27,38-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.09,17.010,15.028,40.031,39.032,37.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,9(17),10,12,14,19(46),20,22,25,28(40),29,31(39),32,34,36,41(45),42-henicosaene (PubChem CID 159222947) has the molecular formula C264H152N16 and a molecular weight of 3548.23 g/mol. Its IUPAC name is 3,7,25,29-tetraphenyl-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;3,10,25,32-tetraphenyl-5,10,27,32-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.09,17.011,16.028,40.031,39.033,38.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,9(17),11,13,15,19(46),20,22,25,28(40),29,31(39),33,35,37,41(45),42-henicosaene;3,13,25,35-tetraphenyl-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;3,16,25,38-tetraphenyl-5,16,27,38-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.09,17.010,15.028,40.031,39.032,37.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,9(17),10,12,14,19(46),20,22,25,28(40),29,31(39),32,34,36,41(45),42-henicosaene.

Molecular Properties

Compound Name3,7,25,29-tetraphenyl-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;3,10,25,32-tetraphenyl-5,10,27,32-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.09,17.011,16.028,40.031,39.033,38.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,9(17),11,13,15,19(46),20,22,25,28(40),29,31(39),33,35,37,41(45),42-henicosaene;3,13,25,35-tetraphenyl-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;3,16,25,38-tetraphenyl-5,16,27,38-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.09,17.010,15.028,40.031,39.032,37.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,9(17),10,12,14,19(46),20,22,25,28(40),29,31(39),32,34,36,41(45),42-henicosaene
PubChem CID159222947
Molecular FormulaC264H152N16
Molecular Weight3548.23 g/mol
Exact Mass3545.24
IUPAC Name3,7,25,29-tetraphenyl-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;3,10,25,32-tetraphenyl-5,10,27,32-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.09,17.011,16.028,40.031,39.033,38.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,9(17),11,13,15,19(46),20,22,25,28(40),29,31(39),33,35,37,41(45),42-henicosaene;3,13,25,35-tetraphenyl-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;3,16,25,38-tetraphenyl-5,16,27,38-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.09,17.010,15.028,40.031,39.032,37.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,9(17),10,12,14,19(46),20,22,25,28(40),29,31(39),32,34,36,41(45),42-henicosaene
SMILESc1ccc(-c2c3c4c5c(cc6c7ccccc7n(c3c(-c3ccccc3)c3c7c8c(cc9c%10ccccc%10n(c23)c97)c2ccccc2n8-c2ccccc2)c64)c2ccccc2n5-c2ccccc2)cc1.c1ccc(-c2c3c4c5c6ccccc6n(-c6ccccc6)c5cc5c6ccccc6n(c3c(-c3ccccc3)c3c6c7c8ccccc8n(-c8ccccc8)c7cc7c8ccccc8n(c23)c76)c54)cc1.c1ccc(-c2c3c4cccc5c6c7c(ccc6n(c3c(-c3ccccc3)c3c6cccc8c9c%10c(ccc9n(c23)c68)c2ccccc2n%10-c2ccccc2)c45)c2ccccc2n7-c2ccccc2)cc1.c1ccc(-c2c3c4cccc5c6c7c8ccccc8n(-c8ccccc8)c7ccc6n(c3c(-c3ccccc3)c3c6cccc7c8c9c%10ccccc%10n(-c%10ccccc%10)c9ccc8n(c23)c67)c45)cc1
InChIInChI=1S/4C66H38N4/c1-5-21-39(22-6-1)55-59-61-57-45-31-15-19-35-51(45)67(41-25-9-3-10-26-41)53(57)37-47-44-30-14-18-34-50(44)70(63(47)61)66(59)56(40-23-7-2-8-24-40)60-62-58-46-32-16-20-36-52(46)68(42-27-11-4-12-28-42)54(58)38-48-43-29-13-17-33-49(43)69(64(48)62)65(55)60;1-5-21-39(22-6-1)55-57-59-61-47(43-29-13-17-33-51(43)67(61)41-25-9-3-10-26-41)37-49-46-32-16-20-36-54(46)70(63(49)59)66(57)56(40-23-7-2-8-24-40)58-60-62-48(38-50-45-31-15-19-35-53(45)69(64(50)60)65(55)58)44-30-14-18-34-52(44)68(62)42-27-11-4-12-28-42;1-5-19-39(20-6-1)55-59-49-31-17-29-47-58-54(38-36-46-44-28-14-16-34-52(44)68(64(46)58)42-25-11-4-12-26-42)70(61(47)49)66(59)56(40-21-7-2-8-22-40)60-50-32-18-30-48-57-53(69(62(48)50)65(55)60)37-35-45-43-27-13-15-33-51(43)67(63(45)57)41-23-9-3-10-24-41;1-5-19-39(20-6-1)55-61-47-31-17-29-45-60-54(38-36-52-58(60)44-28-14-16-34-50(44)68(52)42-25-11-4-12-26-42)70(63(45)47)66(61)56(40-21-7-2-8-22-40)62-48-32-18-30-46-59-53(69(64(46)48)65(55)62)37-35-51-57(59)43-27-13-15-33-49(43)67(51)41-23-9-3-10-24-41/h4*1-38H
InChIKeyKRXTUQLBWBQIDO-UHFFFAOYSA-N
XLogP70.06
TPSA74.72 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds16
Heavy Atoms280
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003548.23
LogP ≤ 570.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 3,7,25,29-tetraphenyl-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;3,10,25,32-tetraphenyl-5,10,27,32-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.09,17.011,16.028,40.031,39.033,38.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,9(17),11,13,15,19(46),20,22,25,28(40),29,31(39),33,35,37,41(45),42-henicosaene;3,13,25,35-tetraphenyl-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;3,16,25,38-tetraphenyl-5,16,27,38-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.09,17.010,15.028,40.031,39.032,37.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,9(17),10,12,14,19(46),20,22,25,28(40),29,31(39),32,34,36,41(45),42-henicosaene with MolForge

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Related Compounds

3,7,25,29-tetraphenyl-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;3,10,25,32-tetraphenyl-5,10,27,32-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.09,17.011,16.028,40.031,39.033,38.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,9(17),11,13,15,19(46),20,22,25,28(40),29,31(39),33,35,37,41(45),42-henicosaene;3,13,25,35-tetraphenyl-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;3,14,25,36-tetraphenyl-5,14,27,36-tetrazatridecacyclo[25.17.1.15,12.02,26.04,24.06,11.013,21.015,20.028,33.034,45.035,43.037,42.023,46]hexatetraconta-1(45),2,4(24),6,8,10,12,15,17,19,21,23(46),25,28,30,32,34,37,39,41,43-henicosaene;3,20,25,42-tetraphenyl-5,20,27,42-tetrazatridecacyclo[25.17.1.15,12.02,26.04,24.06,11.013,21.014,19.028,33.034,45.035,43.036,41.023,46]hexatetraconta-1(44),2,4(24),6,8,10,12(46),13(21),14,16,18,22,25,28,30,32,34(45),35(43),36,38,40-henicosaene
CID 157150916
9,15-diphenyl-9,15,26,30-tetrazatridecacyclo[24.18.1.130,37.02,10.03,8.012,45.013,25.014,22.016,21.027,44.029,42.031,36.041,46]hexatetraconta-1(45),2(10),3,5,7,11,13(25),14(22),16,18,20,23,27(44),28,31,33,35,37(46),38,40,42-henicosaene;12,23-diphenyl-1,12,23,41-tetrazatridecacyclo[24.18.1.130,34.02,14.05,13.06,11.015,45.016,24.017,22.027,44.029,42.035,40.041,46]hexatetraconta-2(14),3,5(13),6,8,10,15(45),16(24),17,19,21,25,27(44),28,30,32,34(46),35,37,39,42-henicosaene;13,38-diphenyl-13,23,27,38-tetrazatridecacyclo[25.17.1.15,16.02,26.04,24.06,14.07,12.017,22.028,40.031,39.032,37.041,45.023,46]hexatetraconta-1(45),2,4(24),5(46),6(14),7,9,11,15,17,19,21,25,28(40),29,31(39),32,34,36,41,43-henicosaene;16,30-diphenyl-1,5,16,30-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.09,17.010,15.029,37.031,36.038,45.039,44.023,46]hexatetraconta-2(26),3,6(18),7,9(17),10,12,14,19,21,23(46),24,27,29(37),31,33,35,38(45),39,41,43-henicosaene;16,34-diphenyl-1,5,16,34-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.09,17.010,15.031,45.032,44.033,41.035,40.023,46]hexatetraconta-2(26),3,6(18),7,9(17),10,12,14,19,21,23(46),24,27(45),28,30,32(44),33(41),35,37,39,42-henicosaene
CID 163902636
14-phenyl-5,14,27,41-tetrazapentadecacyclo[25.22.1.15,19.130,34.02,26.04,24.06,18.07,15.08,13.028,45.029,42.035,40.046,50.023,52.041,51]dopentaconta-1(49),2,4(24),6(18),7(15),8,10,12,16,19(52),20,22,25,28(45),29(42),30,32,34(51),35,37,39,43,46(50),47-tetracosaene
CID 155308708
3,15,25,37-tetraphenyl-5,15,27,37-tetrazatridecacyclo[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
CID 146512315
3,30-diphenyl-5,21,32,48-tetrazaheptadecacyclo[30.22.1.15,24.110,14.137,41.02,31.04,29.06,23.09,22.015,20.033,50.036,49.042,47.051,55.021,58.028,57.048,56]octapentaconta-1(54),2,4(29),6(23),7,9(22),10,12,14(58),15,17,19,24(57),25,27,30,33(50),34,36(49),37,39,41(56),42,44,46,51(55),52-heptacosaene;5,8,32,35-tetrazaheptadecacyclo[30.22.1.15,24.18,15.135,42.02,31.04,29.06,23.07,20.09,14.033,50.034,47.036,41.051,55.019,58.028,57.046,56]octapentaconta-1(54),2,4(29),6(23),7(20),9,11,13,15(58),16,18,21,24(57),25,27,30,33(50),34(47),36,38,40,42(56),43,45,48,51(55),52-heptacosaene;5,9,32,48-tetrazaheptadecacyclo[30.22.1.15,24.19,16.137,41.02,31.04,29.06,23.08,21.010,15.033,50.036,49.042,47.051,55.020,58.028,57.048,56]octapentaconta-1(55),2(31),3,6(23),7,10,12,14,16(58),17,19,21,24(57),25,27,29,33(50),34,36(49),37,39,41(56),42,44,46,51,53-heptacosaene;5,19,32,46-tetrazaheptadecacyclo[30.22.1.15,24.18,12.135,39.02,31.04,29.06,23.07,20.013,18.033,50.034,47.040,45.051,55.019,58.028,57.046,56]octapentaconta-1(54),2,4(29),6(23),7(20),8,10,12(58),13,15,17,21,24(57),25,27,30,33(50),34(47),35,37,39(56),40,42,44,48,51(55),52-heptacosaene;5,20,32,47-tetrazaheptadecacyclo[30.22.1.15,24.19,13.136,40.02,31.04,29.06,23.08,21.014,19.033,50.035,48.041,46.051,55.020,58.028,57.047,56]octapentaconta-1(54),2,4(29),6,8(21),9,11,13(58),14,16,18,22,24(57),25,27,30,33,35(48),36,38,40(56),41,43,45,49,51(55),52-heptacosaene
CID 158190062
16,38-diphenyl-5,16,27,38-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.09,17.010,15.028,40.031,39.032,37.041,45.023,46]hexatetraconta-1(45),2,4(24),6(18),7,9(17),10,12,14,19,21,23(46),25,28(40),29,31(39),32,34,36,41,43-henicosaene
CID 146512233
7,29-diphenyl-3,25-di(propan-2-yl)-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-3,25-di(propan-2-yl)-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;14,36-diphenyl-3,25-di(propan-2-yl)-5,14,27,36-tetrazatridecacyclo[25.17.1.15,12.02,26.04,24.06,11.013,21.015,20.028,33.034,45.035,43.037,42.023,46]hexatetraconta-1(45),2,4(24),6,8,10,12,15,17,19,21,23(46),25,28,30,32,34,37,39,41,43-henicosaene;20,42-diphenyl-3,25-di(propan-2-yl)-5,20,27,42-tetrazatridecacyclo[25.17.1.15,12.02,26.04,24.06,11.013,21.014,19.028,33.034,45.035,43.036,41.023,46]hexatetraconta-1(44),2,4(24),6,8,10,12(46),13(21),14,16,18,22,25,28,30,32,34(45),35(43),36,38,40-henicosaene;8,30-diphenyl-5,8,27,30-tetrazatridecacyclo[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
CID 162207258
9-phenyl-31-[3-[3-(42-phenyl-5,20,27,42-tetrazatridecacyclo[25.17.1.15,12.02,26.04,24.06,11.013,21.014,19.028,33.034,45.035,43.036,41.023,46]hexatetraconta-1(44),2,4(24),6,8,10,12(46),13(21),14,16,18,22,25,28,30,32,34(45),35(43),36,38,40-henicosaen-20-yl)phenyl]phenyl]-5,9,27,31-tetrazatridecacyclo[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
CID 167304313
9,24-ditert-butyl-13,28-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(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene;3,25-diphenyl-16,38-bis(3-phenylphenyl)-5,16,27,38-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.09,17.010,15.028,40.031,39.032,37.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,9(17),10,12,14,19(46),20,22,25,28(40),29,31(39),32,34,36,41(45),42-henicosaene;3,16,25,38-tetraphenyl-5,16,27,38-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.09,17.010,15.028,40.031,39.032,37.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,9(17),10,12,14,19(46),20,22,25,28(40),29,31(39),32,34,36,41(45),42-henicosaene
CID 167531458
13-N,28-N-diphenyl-13-N,28-N-bis(4-propan-2-ylphenyl)-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;10-N,10-N,25-N,25-N,3,18-hexakis-phenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-10,25-diamine;13-N,13-N,28-N,28-N-tetraphenyl-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;3,16,25,38-tetraphenyl-5,16,27,38-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.09,17.010,15.028,40.031,39.032,37.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,9(17),10,12,14,19(46),20,22,25,28(40),29,31(39),32,34,36,41(45),42-henicosaene
CID 163630567
5,12-diphenylindolo[3,2-c]carbazole
CID 22105108
16,38-di(dibenzofuran-2-yl)-3,25-diphenyl-5,16,27,38-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.09,17.010,15.028,40.031,39.032,37.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,9(17),10,12,14,19(46),20,22,25,28(40),29,31(39),32,34,36,41(45),42-henicosaene
CID 146497436

Frequently Asked Questions

What is the IUPAC name of 3,7,25,29-tetraphenyl-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;3,10,25,32-tetraphenyl-5,10,27,32-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.09,17.011,16.028,40.031,39.033,38.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,9(17),11,13,15,19(46),20,22,25,28(40),29,31(39),33,35,37,41(45),42-henicosaene;3,13,25,35-tetraphenyl-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;3,16,25,38-tetraphenyl-5,16,27,38-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.09,17.010,15.028,40.031,39.032,37.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,9(17),10,12,14,19(46),20,22,25,28(40),29,31(39),32,34,36,41(45),42-henicosaene?
The IUPAC name of 3,7,25,29-tetraphenyl-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;3,10,25,32-tetraphenyl-5,10,27,32-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.09,17.011,16.028,40.031,39.033,38.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,9(17),11,13,15,19(46),20,22,25,28(40),29,31(39),33,35,37,41(45),42-henicosaene;3,13,25,35-tetraphenyl-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;3,16,25,38-tetraphenyl-5,16,27,38-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.09,17.010,15.028,40.031,39.032,37.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,9(17),10,12,14,19(46),20,22,25,28(40),29,31(39),32,34,36,41(45),42-henicosaene (CID 159222947) is 3,7,25,29-tetraphenyl-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;3,10,25,32-tetraphenyl-5,10,27,32-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.09,17.011,16.028,40.031,39.033,38.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,9(17),11,13,15,19(46),20,22,25,28(40),29,31(39),33,35,37,41(45),42-henicosaene;3,13,25,35-tetraphenyl-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;3,16,25,38-tetraphenyl-5,16,27,38-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.09,17.010,15.028,40.031,39.032,37.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,9(17),10,12,14,19(46),20,22,25,28(40),29,31(39),32,34,36,41(45),42-henicosaene.
What is the SMILES notation for 3,7,25,29-tetraphenyl-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;3,10,25,32-tetraphenyl-5,10,27,32-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.09,17.011,16.028,40.031,39.033,38.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,9(17),11,13,15,19(46),20,22,25,28(40),29,31(39),33,35,37,41(45),42-henicosaene;3,13,25,35-tetraphenyl-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;3,16,25,38-tetraphenyl-5,16,27,38-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.09,17.010,15.028,40.031,39.032,37.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,9(17),10,12,14,19(46),20,22,25,28(40),29,31(39),32,34,36,41(45),42-henicosaene?
The canonical SMILES for 3,7,25,29-tetraphenyl-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;3,10,25,32-tetraphenyl-5,10,27,32-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.09,17.011,16.028,40.031,39.033,38.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,9(17),11,13,15,19(46),20,22,25,28(40),29,31(39),33,35,37,41(45),42-henicosaene;3,13,25,35-tetraphenyl-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;3,16,25,38-tetraphenyl-5,16,27,38-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.09,17.010,15.028,40.031,39.032,37.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,9(17),10,12,14,19(46),20,22,25,28(40),29,31(39),32,34,36,41(45),42-henicosaene is c1ccc(-c2c3c4c5c(cc6c7ccccc7n(c3c(-c3ccccc3)c3c7c8c(cc9c%10ccccc%10n(c23)c97)c2ccccc2n8-c2ccccc2)c64)c2ccccc2n5-c2ccccc2)cc1.c1ccc(-c2c3c4c5c6ccccc6n(-c6ccccc6)c5cc5c6ccccc6n(c3c(-c3ccccc3)c3c6c7c8ccccc8n(-c8ccccc8)c7cc7c8ccccc8n(c23)c76)c54)cc1.c1ccc(-c2c3c4cccc5c6c7c(ccc6n(c3c(-c3ccccc3)c3c6cccc8c9c%10c(ccc9n(c23)c68)c2ccccc2n%10-c2ccccc2)c45)c2ccccc2n7-c2ccccc2)cc1.c1ccc(-c2c3c4cccc5c6c7c8ccccc8n(-c8ccccc8)c7ccc6n(c3c(-c3ccccc3)c3c6cccc7c8c9c%10ccccc%10n(-c%10ccccc%10)c9ccc8n(c23)c67)c45)cc1.
What is the InChIKey of 3,7,25,29-tetraphenyl-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;3,10,25,32-tetraphenyl-5,10,27,32-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.09,17.011,16.028,40.031,39.033,38.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,9(17),11,13,15,19(46),20,22,25,28(40),29,31(39),33,35,37,41(45),42-henicosaene;3,13,25,35-tetraphenyl-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;3,16,25,38-tetraphenyl-5,16,27,38-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.09,17.010,15.028,40.031,39.032,37.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,9(17),10,12,14,19(46),20,22,25,28(40),29,31(39),32,34,36,41(45),42-henicosaene?
The InChIKey is KRXTUQLBWBQIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/4C66H38N4/c1-5-21-39(22-6-1)55-59-61-57-45-31-15-19-35-51(45)67(41-25-9-3-10-26-41)53(57)37-47-44-30-14-18-34-50(44)70(63(47)61)66(59)56(40-23-7-2-8-24-40)60-62-58-46-32-16-20-36-52(46)68(42-27-11-4-12-28-42)54(58)38-48-43-29-13-17-33-49(43)69(64(48)62)65(55)60;1-5-21-39(22-6-1)55-57-59-61-47(43-29-13-17-33-51(43)67(61)41-25-9-3-10-26-41)37-49-46-32-16-20-36-54(46)70(63(49)59)66(57)56(40-23-7-2-8-24-40)58-60-62-48(38-50-45-31-15-19-35-53(45)69(64(50)60)65(55)58)44-30-14-18-34-52(44)68(62)42-27-11-4-12-28-42;1-5-19-39(20-6-1)55-59-49-31-17-29-47-58-54(38-36-46-44-28-14-16-34-52(44)68(64(46)58)42-25-11-4-12-26-42)70(61(47)49)66(59)56(40-21-7-2-8-22-40)60-50-32-18-30-48-57-53(69(62(48)50)65(55)60)37-35-45-43-27-13-15-33-51(43)67(63(45)57)41-23-9-3-10-24-41;1-5-19-39(20-6-1)55-61-47-31-17-29-45-60-54(38-36-52-58(60)44-28-14-16-34-50(44)68(52)42-25-11-4-12-26-42)70(63(45)47)66(61)56(40-21-7-2-8-22-40)62-48-32-18-30-46-59-53(69(64(46)48)65(55)62)37-35-51-57(59)43-27-13-15-33-49(43)67(51)41-23-9-3-10-24-41/h4*1-38H.
What are the key properties of 3,7,25,29-tetraphenyl-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;3,10,25,32-tetraphenyl-5,10,27,32-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.09,17.011,16.028,40.031,39.033,38.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,9(17),11,13,15,19(46),20,22,25,28(40),29,31(39),33,35,37,41(45),42-henicosaene;3,13,25,35-tetraphenyl-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;3,16,25,38-tetraphenyl-5,16,27,38-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.09,17.010,15.028,40.031,39.032,37.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,9(17),10,12,14,19(46),20,22,25,28(40),29,31(39),32,34,36,41(45),42-henicosaene?
3,7,25,29-tetraphenyl-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;3,10,25,32-tetraphenyl-5,10,27,32-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.09,17.011,16.028,40.031,39.033,38.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,9(17),11,13,15,19(46),20,22,25,28(40),29,31(39),33,35,37,41(45),42-henicosaene;3,13,25,35-tetraphenyl-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;3,16,25,38-tetraphenyl-5,16,27,38-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.09,17.010,15.028,40.031,39.032,37.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,9(17),10,12,14,19(46),20,22,25,28(40),29,31(39),32,34,36,41(45),42-henicosaene has a molecular weight of 3548.23 g/mol, XLogP of 70.06, 16 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7,25,29-tetraphenyl-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;3,10,25,32-tetraphenyl-5,10,27,32-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.09,17.011,16.028,40.031,39.033,38.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,9(17),11,13,15,19(46),20,22,25,28(40),29,31(39),33,35,37,41(45),42-henicosaene;3,13,25,35-tetraphenyl-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;3,16,25,38-tetraphenyl-5,16,27,38-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.09,17.010,15.028,40.031,39.032,37.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,9(17),10,12,14,19(46),20,22,25,28(40),29,31(39),32,34,36,41(45),42-henicosaene is sourced from PubChem (CID 159222947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).