23,48-ditert-butyl-8,33-dioxa-3,17,19,28,42,44-hexazapentadecacyclo[25.23.1.12,19.03,18.04,16.07,15.09,14.020,25.028,43.029,41.032,40.034,39.044,51.045,50.026,52]dopentaconta-1,4(16),5,7(15),9,11,13,17,20(25),21,23,26(52),27(51),29(41),30,32(40),34,36,38,42,45(50),46,48-tricosaene

C52H36N6O2 — CID 163929722

About 23,48-ditert-butyl-8,33-dioxa-3,17,19,28,42,44-hexazapentadecacyclo[25.23.1.12,19.03,18.04,16.07,15.09,14.020,25.028,43.029,41.032,40.034,39.044,51.045,50.026,52]dopentaconta-1,4(16),5,7(15),9,11,13,17,20(25),21,23,26(52),27(51),29(41),30,32(40),34,36,38,42,45(50),46,48-tricosaene

23,48-ditert-butyl-8,33-dioxa-3,17,19,28,42,44-hexazapentadecacyclo[25.23.1.12,19.03,18.04,16.07,15.09,14.020,25.028,43.029,41.032,40.034,39.044,51.045,50.026,52]dopentaconta-1,4(16),5,7(15),9,11,13,17,20(25),21,23,26(52),27(51),29(41),30,32(40),34,36,38,42,45(50),46,48-tricosaene (PubChem CID 163929722) has the molecular formula C52H36N6O2 and a molecular weight of 776.90 g/mol. Its IUPAC name is 23,48-ditert-butyl-8,33-dioxa-3,17,19,28,42,44-hexazapentadecacyclo[25.23.1.12,19.03,18.04,16.07,15.09,14.020,25.028,43.029,41.032,40.034,39.044,51.045,50.026,52]dopentaconta-1,4(16),5,7(15),9,11,13,17,20(25),21,23,26(52),27(51),29(41),30,32(40),34,36,38,42,45(50),46,48-tricosaene.

Molecular Properties

• Compound Name: 23,48-ditert-butyl-8,33-dioxa-3,17,19,28,42,44-hexazapentadecacyclo[25.23.1.12,19.03,18.04,16.07,15.09,14.020,25.028,43.029,41.032,40.034,39.044,51.045,50.026,52]dopentaconta-1,4(16),5,7(15),9,11,13,17,20(25),21,23,26(52),27(51),29(41),30,32(40),34,36,38,42,45(50),46,48-tricosaene
• PubChem CID: 163929722
• Molecular Formula: C52H36N6O2
• Molecular Weight: 776.90 g/mol
• Exact Mass: 776.29
• IUPAC Name: 23,48-ditert-butyl-8,33-dioxa-3,17,19,28,42,44-hexazapentadecacyclo[25.23.1.12,19.03,18.04,16.07,15.09,14.020,25.028,43.029,41.032,40.034,39.044,51.045,50.026,52]dopentaconta-1,4(16),5,7(15),9,11,13,17,20(25),21,23,26(52),27(51),29(41),30,32(40),34,36,38,42,45(50),46,48-tricosaene
• SMILES: CC(C)(C)c1ccc2c(c1)c1c3c(c4c5cc(C(C)(C)C)ccc5n5c4c1n1c4ccc6oc7ccccc7c6c4nc51)n1c4ccc5oc6ccccc6c5c4nc1n23
• InChI: InChI=1S/C52H36N6O2/c1-51(2,3)25-15-17-31-29(23-25)41-45-48(58-34-20-22-38-40(44(34)53-49(58)55(31)45)28-12-8-10-14-36(28)60-38)42-30-24-26(52(4,5)6)16-18-32(30)56-46(42)47(41)57-33-19-21-37-39(43(33)54-50(56)57)27-11-7-9-13-35(27)59-37/h7-24H,1-6H3
• InChIKey: RHRAKCHKMJDFKP-UHFFFAOYSA-N
• XLogP: 13.68
• TPSA: 69.70 Ų
• H-Bond Acceptors: 8
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	776.90
LogP ≤ 5	13.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 23,48-ditert-butyl-8,33-dioxa-3,17,19,28,42,44-hexazapentadecacyclo[25.23.1.12,19.03,18.04,16.07,15.09,14.020,25.028,43.029,41.032,40.034,39.044,51.045,50.026,52]dopentaconta-1,4(16),5,7(15),9,11,13,17,20(25),21,23,26(52),27(51),29(41),30,32(40),34,36,38,42,45(50),46,48-tricosaene?

The IUPAC name of 23,48-ditert-butyl-8,33-dioxa-3,17,19,28,42,44-hexazapentadecacyclo[25.23.1.12,19.03,18.04,16.07,15.09,14.020,25.028,43.029,41.032,40.034,39.044,51.045,50.026,52]dopentaconta-1,4(16),5,7(15),9,11,13,17,20(25),21,23,26(52),27(51),29(41),30,32(40),34,36,38,42,45(50),46,48-tricosaene (CID 163929722) is 23,48-ditert-butyl-8,33-dioxa-3,17,19,28,42,44-hexazapentadecacyclo[25.23.1.12,19.03,18.04,16.07,15.09,14.020,25.028,43.029,41.032,40.034,39.044,51.045,50.026,52]dopentaconta-1,4(16),5,7(15),9,11,13,17,20(25),21,23,26(52),27(51),29(41),30,32(40),34,36,38,42,45(50),46,48-tricosaene.

What is the SMILES notation for 23,48-ditert-butyl-8,33-dioxa-3,17,19,28,42,44-hexazapentadecacyclo[25.23.1.12,19.03,18.04,16.07,15.09,14.020,25.028,43.029,41.032,40.034,39.044,51.045,50.026,52]dopentaconta-1,4(16),5,7(15),9,11,13,17,20(25),21,23,26(52),27(51),29(41),30,32(40),34,36,38,42,45(50),46,48-tricosaene?

The canonical SMILES for 23,48-ditert-butyl-8,33-dioxa-3,17,19,28,42,44-hexazapentadecacyclo[25.23.1.12,19.03,18.04,16.07,15.09,14.020,25.028,43.029,41.032,40.034,39.044,51.045,50.026,52]dopentaconta-1,4(16),5,7(15),9,11,13,17,20(25),21,23,26(52),27(51),29(41),30,32(40),34,36,38,42,45(50),46,48-tricosaene is CC(C)(C)c1ccc2c(c1)c1c3c(c4c5cc(C(C)(C)C)ccc5n5c4c1n1c4ccc6oc7ccccc7c6c4nc51)n1c4ccc5oc6ccccc6c5c4nc1n23.

What is the InChIKey of 23,48-ditert-butyl-8,33-dioxa-3,17,19,28,42,44-hexazapentadecacyclo[25.23.1.12,19.03,18.04,16.07,15.09,14.020,25.028,43.029,41.032,40.034,39.044,51.045,50.026,52]dopentaconta-1,4(16),5,7(15),9,11,13,17,20(25),21,23,26(52),27(51),29(41),30,32(40),34,36,38,42,45(50),46,48-tricosaene?

The InChIKey is RHRAKCHKMJDFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36N6O2/c1-51(2,3)25-15-17-31-29(23-25)41-45-48(58-34-20-22-38-40(44(34)53-49(58)55(31)45)28-12-8-10-14-36(28)60-38)42-30-24-26(52(4,5)6)16-18-32(30)56-46(42)47(41)57-33-19-21-37-39(43(33)54-50(56)57)27-11-7-9-13-35(27)59-37/h7-24H,1-6H3.

What are the key properties of 23,48-ditert-butyl-8,33-dioxa-3,17,19,28,42,44-hexazapentadecacyclo[25.23.1.12,19.03,18.04,16.07,15.09,14.020,25.028,43.029,41.032,40.034,39.044,51.045,50.026,52]dopentaconta-1,4(16),5,7(15),9,11,13,17,20(25),21,23,26(52),27(51),29(41),30,32(40),34,36,38,42,45(50),46,48-tricosaene?

23,48-ditert-butyl-8,33-dioxa-3,17,19,28,42,44-hexazapentadecacyclo[25.23.1.12,19.03,18.04,16.07,15.09,14.020,25.028,43.029,41.032,40.034,39.044,51.045,50.026,52]dopentaconta-1,4(16),5,7(15),9,11,13,17,20(25),21,23,26(52),27(51),29(41),30,32(40),34,36,38,42,45(50),46,48-tricosaene has a molecular weight of 776.90 g/mol, XLogP of 13.68, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 23,48-ditert-butyl-8,33-dioxa-3,17,19,28,42,44-hexazapentadecacyclo[25.23.1.12,19.03,18.04,16.07,15.09,14.020,25.028,43.029,41.032,40.034,39.044,51.045,50.026,52]dopentaconta-1,4(16),5,7(15),9,11,13,17,20(25),21,23,26(52),27(51),29(41),30,32(40),34,36,38,42,45(50),46,48-tricosaene is sourced from PubChem (CID 163929722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).