10-(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(26),3,6(18),7(15),9(14),10,12,16,19(46),20,22,24,28(40),29(37),31,33,35,38,41(45),42-henicosaen-11-yl)-3,25-di(propan-2-yl)-13,35-dioxa-1,23-diazatridecacyclo[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-2,4(24),5(46),6(14),7(12),8,10,15,17,19,21,25,27(45),28(36),29,31,33,37,39,41,43-henicosaene

C90H50N4O4 — CID 167295461

About 10-(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(26),3,6(18),7(15),9(14),10,12,16,19(46),20,22,24,28(40),29(37),31,33,35,38,41(45),42-henicosaen-11-yl)-3,25-di(propan-2-yl)-13,35-dioxa-1,23-diazatridecacyclo[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-2,4(24),5(46),6(14),7(12),8,10,15,17,19,21,25,27(45),28(36),29,31,33,37,39,41,43-henicosaene

10-(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(26),3,6(18),7(15),9(14),10,12,16,19(46),20,22,24,28(40),29(37),31,33,35,38,41(45),42-henicosaen-11-yl)-3,25-di(propan-2-yl)-13,35-dioxa-1,23-diazatridecacyclo[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-2,4(24),5(46),6(14),7(12),8,10,15,17,19,21,25,27(45),28(36),29,31,33,37,39,41,43-henicosaene (PubChem CID 167295461) has the molecular formula C90H50N4O4 and a molecular weight of 1251.41 g/mol. Its IUPAC name is 10-(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(26),3,6(18),7(15),9(14),10,12,16,19(46),20,22,24,28(40),29(37),31,33,35,38,41(45),42-henicosaen-11-yl)-3,25-di(propan-2-yl)-13,35-dioxa-1,23-diazatridecacyclo[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-2,4(24),5(46),6(14),7(12),8,10,15,17,19,21,25,27(45),28(36),29,31,33,37,39,41,43-henicosaene.

Molecular Properties

• Compound Name: 10-(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(26),3,6(18),7(15),9(14),10,12,16,19(46),20,22,24,28(40),29(37),31,33,35,38,41(45),42-henicosaen-11-yl)-3,25-di(propan-2-yl)-13,35-dioxa-1,23-diazatridecacyclo[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-2,4(24),5(46),6(14),7(12),8,10,15,17,19,21,25,27(45),28(36),29,31,33,37,39,41,43-henicosaene
• PubChem CID: 167295461
• Molecular Formula: C90H50N4O4
• Molecular Weight: 1251.41 g/mol
• Exact Mass: 1250.38
• IUPAC Name: 10-(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(26),3,6(18),7(15),9(14),10,12,16,19(46),20,22,24,28(40),29(37),31,33,35,38,41(45),42-henicosaen-11-yl)-3,25-di(propan-2-yl)-13,35-dioxa-1,23-diazatridecacyclo[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-2,4(24),5(46),6(14),7(12),8,10,15,17,19,21,25,27(45),28(36),29,31,33,37,39,41,43-henicosaene
• SMILES: CC(C)c1c2c3c4c(cc5c6ccccc6n(c2c(C(C)C)c2c6c7c(cc8c9ccccc9n(c12)c86)oc1ccccc17)c53)oc1cc(-c2ccc3c(c2)oc2c3ccc3c5cccc6c7cc8c(cc7n(c65)c32)c2cccc3c5ccc6c7ccccc7oc6c5n8c23)ccc14
• InChI: InChI=1S/C90H50N4O4/c1-41(2)73-77-79-75-57-18-8-12-26-68(57)95-71(75)39-61-45-15-5-9-23-63(45)91(83(61)79)87(77)74(42(3)4)78-80-76-58-30-28-44(36-70(58)96-72(76)40-62-46-16-6-10-24-64(46)92(84(62)80)88(73)78)43-27-29-48-56-34-32-54-50-20-14-22-52-60-37-65-59(38-66(60)94(82(50)52)86(54)90(56)98-69(48)35-43)51-21-13-19-49-53-31-33-55-47-17-7-11-25-67(47)97-89(55)85(53)93(65)81(49)51/h5-42H,1-4H3
• InChIKey: FDHDMBNSKZUTHK-UHFFFAOYSA-N
• XLogP: 25.80
• TPSA: 70.20 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1251.41
LogP ≤ 5	25.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 10-(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(26),3,6(18),7(15),9(14),10,12,16,19(46),20,22,24,28(40),29(37),31,33,35,38,41(45),42-henicosaen-11-yl)-3,25-di(propan-2-yl)-13,35-dioxa-1,23-diazatridecacyclo[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-2,4(24),5(46),6(14),7(12),8,10,15,17,19,21,25,27(45),28(36),29,31,33,37,39,41,43-henicosaene?

The IUPAC name of 10-(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(26),3,6(18),7(15),9(14),10,12,16,19(46),20,22,24,28(40),29(37),31,33,35,38,41(45),42-henicosaen-11-yl)-3,25-di(propan-2-yl)-13,35-dioxa-1,23-diazatridecacyclo[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-2,4(24),5(46),6(14),7(12),8,10,15,17,19,21,25,27(45),28(36),29,31,33,37,39,41,43-henicosaene (CID 167295461) is 10-(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(26),3,6(18),7(15),9(14),10,12,16,19(46),20,22,24,28(40),29(37),31,33,35,38,41(45),42-henicosaen-11-yl)-3,25-di(propan-2-yl)-13,35-dioxa-1,23-diazatridecacyclo[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-2,4(24),5(46),6(14),7(12),8,10,15,17,19,21,25,27(45),28(36),29,31,33,37,39,41,43-henicosaene.

What is the SMILES notation for 10-(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(26),3,6(18),7(15),9(14),10,12,16,19(46),20,22,24,28(40),29(37),31,33,35,38,41(45),42-henicosaen-11-yl)-3,25-di(propan-2-yl)-13,35-dioxa-1,23-diazatridecacyclo[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-2,4(24),5(46),6(14),7(12),8,10,15,17,19,21,25,27(45),28(36),29,31,33,37,39,41,43-henicosaene?

The canonical SMILES for 10-(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(26),3,6(18),7(15),9(14),10,12,16,19(46),20,22,24,28(40),29(37),31,33,35,38,41(45),42-henicosaen-11-yl)-3,25-di(propan-2-yl)-13,35-dioxa-1,23-diazatridecacyclo[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-2,4(24),5(46),6(14),7(12),8,10,15,17,19,21,25,27(45),28(36),29,31,33,37,39,41,43-henicosaene is CC(C)c1c2c3c4c(cc5c6ccccc6n(c2c(C(C)C)c2c6c7c(cc8c9ccccc9n(c12)c86)oc1ccccc17)c53)oc1cc(-c2ccc3c(c2)oc2c3ccc3c5cccc6c7cc8c(cc7n(c65)c32)c2cccc3c5ccc6c7ccccc7oc6c5n8c23)ccc14.

What is the InChIKey of 10-(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(26),3,6(18),7(15),9(14),10,12,16,19(46),20,22,24,28(40),29(37),31,33,35,38,41(45),42-henicosaen-11-yl)-3,25-di(propan-2-yl)-13,35-dioxa-1,23-diazatridecacyclo[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-2,4(24),5(46),6(14),7(12),8,10,15,17,19,21,25,27(45),28(36),29,31,33,37,39,41,43-henicosaene?

The InChIKey is FDHDMBNSKZUTHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H50N4O4/c1-41(2)73-77-79-75-57-18-8-12-26-68(57)95-71(75)39-61-45-15-5-9-23-63(45)91(83(61)79)87(77)74(42(3)4)78-80-76-58-30-28-44(36-70(58)96-72(76)40-62-46-16-6-10-24-64(46)92(84(62)80)88(73)78)43-27-29-48-56-34-32-54-50-20-14-22-52-60-37-65-59(38-66(60)94(82(50)52)86(54)90(56)98-69(48)35-43)51-21-13-19-49-53-31-33-55-47-17-7-11-25-67(47)97-89(55)85(53)93(65)81(49)51/h5-42H,1-4H3.

What are the key properties of 10-(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(26),3,6(18),7(15),9(14),10,12,16,19(46),20,22,24,28(40),29(37),31,33,35,38,41(45),42-henicosaen-11-yl)-3,25-di(propan-2-yl)-13,35-dioxa-1,23-diazatridecacyclo[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-2,4(24),5(46),6(14),7(12),8,10,15,17,19,21,25,27(45),28(36),29,31,33,37,39,41,43-henicosaene?

10-(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(26),3,6(18),7(15),9(14),10,12,16,19(46),20,22,24,28(40),29(37),31,33,35,38,41(45),42-henicosaen-11-yl)-3,25-di(propan-2-yl)-13,35-dioxa-1,23-diazatridecacyclo[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-2,4(24),5(46),6(14),7(12),8,10,15,17,19,21,25,27(45),28(36),29,31,33,37,39,41,43-henicosaene has a molecular weight of 1251.41 g/mol, XLogP of 25.80, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 10-(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(26),3,6(18),7(15),9(14),10,12,16,19(46),20,22,24,28(40),29(37),31,33,35,38,41(45),42-henicosaen-11-yl)-3,25-di(propan-2-yl)-13,35-dioxa-1,23-diazatridecacyclo[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-2,4(24),5(46),6(14),7(12),8,10,15,17,19,21,25,27(45),28(36),29,31,33,37,39,41,43-henicosaene is sourced from PubChem (CID 167295461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).