51,60-dioxa-1,3,9,11,16,25,30,32,38,40-decazapentadecacyclo[38.8.2.212,15.219,22.226,29.12,5.14,8.130,33.136,39.016,20.021,25.043,50.046,49.011,59.037,52]hexaconta-2,4,6,8(59),9,12,14,17,19,21,23,26(54),27,29(53),31,33(52),34,36,38,41,43(50),44,46(49),47,55,57-hexacosaene

C48H26N10O2 — CID 122694701

About 51,60-dioxa-1,3,9,11,16,25,30,32,38,40-decazapentadecacyclo[38.8.2.212,15.219,22.226,29.12,5.14,8.130,33.136,39.016,20.021,25.043,50.046,49.011,59.037,52]hexaconta-2,4,6,8(59),9,12,14,17,19,21,23,26(54),27,29(53),31,33(52),34,36,38,41,43(50),44,46(49),47,55,57-hexacosaene

51,60-dioxa-1,3,9,11,16,25,30,32,38,40-decazapentadecacyclo[38.8.2.212,15.219,22.226,29.12,5.14,8.130,33.136,39.016,20.021,25.043,50.046,49.011,59.037,52]hexaconta-2,4,6,8(59),9,12,14,17,19,21,23,26(54),27,29(53),31,33(52),34,36,38,41,43(50),44,46(49),47,55,57-hexacosaene (PubChem CID 122694701) has the molecular formula C48H26N10O2 and a molecular weight of 774.80 g/mol. Its IUPAC name is 51,60-dioxa-1,3,9,11,16,25,30,32,38,40-decazapentadecacyclo[38.8.2.212,15.219,22.226,29.12,5.14,8.130,33.136,39.016,20.021,25.043,50.046,49.011,59.037,52]hexaconta-2,4,6,8(59),9,12,14,17,19,21,23,26(54),27,29(53),31,33(52),34,36,38,41,43(50),44,46(49),47,55,57-hexacosaene.

Molecular Properties

• Compound Name: 51,60-dioxa-1,3,9,11,16,25,30,32,38,40-decazapentadecacyclo[38.8.2.212,15.219,22.226,29.12,5.14,8.130,33.136,39.016,20.021,25.043,50.046,49.011,59.037,52]hexaconta-2,4,6,8(59),9,12,14,17,19,21,23,26(54),27,29(53),31,33(52),34,36,38,41,43(50),44,46(49),47,55,57-hexacosaene
• PubChem CID: 122694701
• Molecular Formula: C48H26N10O2
• Molecular Weight: 774.80 g/mol
• Exact Mass: 774.22
• IUPAC Name: 51,60-dioxa-1,3,9,11,16,25,30,32,38,40-decazapentadecacyclo[38.8.2.212,15.219,22.226,29.12,5.14,8.130,33.136,39.016,20.021,25.043,50.046,49.011,59.037,52]hexaconta-2,4,6,8(59),9,12,14,17,19,21,23,26(54),27,29(53),31,33(52),34,36,38,41,43(50),44,46(49),47,55,57-hexacosaene
• SMILES: c1cc2ccc1-n1cnc3ccc4oc(nc4c31)-n1ccc3ccc4ccn(c4c31)-c1nc3c(ccc4ncn(c43)-c3ccc(cc3)-n3ccc4ccc5ccn-2c5c43)o1
• InChI: InChI=1S/C48H26N10O2/c1-2-28-18-22-54-32-7-11-34(12-8-32)58-26-50-36-14-16-38-40(46(36)58)52-48(60-38)56-24-20-30-4-3-29-19-23-55(43(29)44(30)56)47-51-39-37(59-47)15-13-35-45(39)57(25-49-35)33-9-5-31(6-10-33)53-21-17-27(1)41(53)42(28)54/h1-26H
• InChIKey: FBFWRJUOJYUYJK-UHFFFAOYSA-N
• XLogP: 10.74
• TPSA: 107.42 Ų
• H-Bond Acceptors: 12
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	774.80
LogP ≤ 5	10.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 51,60-dioxa-1,3,9,11,16,25,30,32,38,40-decazapentadecacyclo[38.8.2.212,15.219,22.226,29.12,5.14,8.130,33.136,39.016,20.021,25.043,50.046,49.011,59.037,52]hexaconta-2,4,6,8(59),9,12,14,17,19,21,23,26(54),27,29(53),31,33(52),34,36,38,41,43(50),44,46(49),47,55,57-hexacosaene?

The IUPAC name of 51,60-dioxa-1,3,9,11,16,25,30,32,38,40-decazapentadecacyclo[38.8.2.212,15.219,22.226,29.12,5.14,8.130,33.136,39.016,20.021,25.043,50.046,49.011,59.037,52]hexaconta-2,4,6,8(59),9,12,14,17,19,21,23,26(54),27,29(53),31,33(52),34,36,38,41,43(50),44,46(49),47,55,57-hexacosaene (CID 122694701) is 51,60-dioxa-1,3,9,11,16,25,30,32,38,40-decazapentadecacyclo[38.8.2.212,15.219,22.226,29.12,5.14,8.130,33.136,39.016,20.021,25.043,50.046,49.011,59.037,52]hexaconta-2,4,6,8(59),9,12,14,17,19,21,23,26(54),27,29(53),31,33(52),34,36,38,41,43(50),44,46(49),47,55,57-hexacosaene.

What is the SMILES notation for 51,60-dioxa-1,3,9,11,16,25,30,32,38,40-decazapentadecacyclo[38.8.2.212,15.219,22.226,29.12,5.14,8.130,33.136,39.016,20.021,25.043,50.046,49.011,59.037,52]hexaconta-2,4,6,8(59),9,12,14,17,19,21,23,26(54),27,29(53),31,33(52),34,36,38,41,43(50),44,46(49),47,55,57-hexacosaene?

The canonical SMILES for 51,60-dioxa-1,3,9,11,16,25,30,32,38,40-decazapentadecacyclo[38.8.2.212,15.219,22.226,29.12,5.14,8.130,33.136,39.016,20.021,25.043,50.046,49.011,59.037,52]hexaconta-2,4,6,8(59),9,12,14,17,19,21,23,26(54),27,29(53),31,33(52),34,36,38,41,43(50),44,46(49),47,55,57-hexacosaene is c1cc2ccc1-n1cnc3ccc4oc(nc4c31)-n1ccc3ccc4ccn(c4c31)-c1nc3c(ccc4ncn(c43)-c3ccc(cc3)-n3ccc4ccc5ccn-2c5c43)o1.

What is the InChIKey of 51,60-dioxa-1,3,9,11,16,25,30,32,38,40-decazapentadecacyclo[38.8.2.212,15.219,22.226,29.12,5.14,8.130,33.136,39.016,20.021,25.043,50.046,49.011,59.037,52]hexaconta-2,4,6,8(59),9,12,14,17,19,21,23,26(54),27,29(53),31,33(52),34,36,38,41,43(50),44,46(49),47,55,57-hexacosaene?

The InChIKey is FBFWRJUOJYUYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H26N10O2/c1-2-28-18-22-54-32-7-11-34(12-8-32)58-26-50-36-14-16-38-40(46(36)58)52-48(60-38)56-24-20-30-4-3-29-19-23-55(43(29)44(30)56)47-51-39-37(59-47)15-13-35-45(39)57(25-49-35)33-9-5-31(6-10-33)53-21-17-27(1)41(53)42(28)54/h1-26H.

What are the key properties of 51,60-dioxa-1,3,9,11,16,25,30,32,38,40-decazapentadecacyclo[38.8.2.212,15.219,22.226,29.12,5.14,8.130,33.136,39.016,20.021,25.043,50.046,49.011,59.037,52]hexaconta-2,4,6,8(59),9,12,14,17,19,21,23,26(54),27,29(53),31,33(52),34,36,38,41,43(50),44,46(49),47,55,57-hexacosaene?

51,60-dioxa-1,3,9,11,16,25,30,32,38,40-decazapentadecacyclo[38.8.2.212,15.219,22.226,29.12,5.14,8.130,33.136,39.016,20.021,25.043,50.046,49.011,59.037,52]hexaconta-2,4,6,8(59),9,12,14,17,19,21,23,26(54),27,29(53),31,33(52),34,36,38,41,43(50),44,46(49),47,55,57-hexacosaene has a molecular weight of 774.80 g/mol, XLogP of 10.74, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 51,60-dioxa-1,3,9,11,16,25,30,32,38,40-decazapentadecacyclo[38.8.2.212,15.219,22.226,29.12,5.14,8.130,33.136,39.016,20.021,25.043,50.046,49.011,59.037,52]hexaconta-2,4,6,8(59),9,12,14,17,19,21,23,26(54),27,29(53),31,33(52),34,36,38,41,43(50),44,46(49),47,55,57-hexacosaene is sourced from PubChem (CID 122694701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).