53,60-dioxa-1,3,9,11,17,26,32,34,40,42-decazapentadecacyclo[40.8.2.220,23.12,5.14,8.112,16.127,31.132,35.138,41.017,21.022,26.045,52.048,51.011,59.039,54]hexaconta-2,4,6,8(59),9,12,14,16(58),18,20,22,24,27(55),28,30,33,35(54),36,38,40,43,45(52),46,48(51),49,56-hexacosaene

C48H26N10O2 — CID 122694699

About 53,60-dioxa-1,3,9,11,17,26,32,34,40,42-decazapentadecacyclo[40.8.2.220,23.12,5.14,8.112,16.127,31.132,35.138,41.017,21.022,26.045,52.048,51.011,59.039,54]hexaconta-2,4,6,8(59),9,12,14,16(58),18,20,22,24,27(55),28,30,33,35(54),36,38,40,43,45(52),46,48(51),49,56-hexacosaene

53,60-dioxa-1,3,9,11,17,26,32,34,40,42-decazapentadecacyclo[40.8.2.220,23.12,5.14,8.112,16.127,31.132,35.138,41.017,21.022,26.045,52.048,51.011,59.039,54]hexaconta-2,4,6,8(59),9,12,14,16(58),18,20,22,24,27(55),28,30,33,35(54),36,38,40,43,45(52),46,48(51),49,56-hexacosaene (PubChem CID 122694699) has the molecular formula C48H26N10O2 and a molecular weight of 774.80 g/mol. Its IUPAC name is 53,60-dioxa-1,3,9,11,17,26,32,34,40,42-decazapentadecacyclo[40.8.2.220,23.12,5.14,8.112,16.127,31.132,35.138,41.017,21.022,26.045,52.048,51.011,59.039,54]hexaconta-2,4,6,8(59),9,12,14,16(58),18,20,22,24,27(55),28,30,33,35(54),36,38,40,43,45(52),46,48(51),49,56-hexacosaene.

Molecular Properties

• Compound Name: 53,60-dioxa-1,3,9,11,17,26,32,34,40,42-decazapentadecacyclo[40.8.2.220,23.12,5.14,8.112,16.127,31.132,35.138,41.017,21.022,26.045,52.048,51.011,59.039,54]hexaconta-2,4,6,8(59),9,12,14,16(58),18,20,22,24,27(55),28,30,33,35(54),36,38,40,43,45(52),46,48(51),49,56-hexacosaene
• PubChem CID: 122694699
• Molecular Formula: C48H26N10O2
• Molecular Weight: 774.80 g/mol
• Exact Mass: 774.22
• IUPAC Name: 53,60-dioxa-1,3,9,11,17,26,32,34,40,42-decazapentadecacyclo[40.8.2.220,23.12,5.14,8.112,16.127,31.132,35.138,41.017,21.022,26.045,52.048,51.011,59.039,54]hexaconta-2,4,6,8(59),9,12,14,16(58),18,20,22,24,27(55),28,30,33,35(54),36,38,40,43,45(52),46,48(51),49,56-hexacosaene
• SMILES: c1cc2cc(c1)n1ccc3ccc4ccn(c5cccc(c5)n5cnc6ccc7oc(nc7c65)n5ccc6ccc7ccn(c8nc9c(ccc%10ncn2c%109)o8)c7c65)c4c31
• InChI: InChI=1S/C48H26N10O2/c1-3-31-23-33(5-1)57-25-49-35-11-13-37-39(45(35)57)51-47(59-37)55-21-17-29-9-10-30-18-22-56(44(30)43(29)55)48-52-40-38(60-48)14-12-36-46(40)58(26-50-36)34-6-2-4-32(24-34)54-20-16-28-8-7-27-15-19-53(31)41(27)42(28)54/h1-26H
• InChIKey: MQWOUYNUJQPVAG-UHFFFAOYSA-N
• XLogP: 10.88
• TPSA: 104.30 Ų
• H-Bond Acceptors: 12
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	774.80
LogP ≤ 5	10.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 53,60-dioxa-1,3,9,11,17,26,32,34,40,42-decazapentadecacyclo[40.8.2.220,23.12,5.14,8.112,16.127,31.132,35.138,41.017,21.022,26.045,52.048,51.011,59.039,54]hexaconta-2,4,6,8(59),9,12,14,16(58),18,20,22,24,27(55),28,30,33,35(54),36,38,40,43,45(52),46,48(51),49,56-hexacosaene?

The IUPAC name of 53,60-dioxa-1,3,9,11,17,26,32,34,40,42-decazapentadecacyclo[40.8.2.220,23.12,5.14,8.112,16.127,31.132,35.138,41.017,21.022,26.045,52.048,51.011,59.039,54]hexaconta-2,4,6,8(59),9,12,14,16(58),18,20,22,24,27(55),28,30,33,35(54),36,38,40,43,45(52),46,48(51),49,56-hexacosaene (CID 122694699) is 53,60-dioxa-1,3,9,11,17,26,32,34,40,42-decazapentadecacyclo[40.8.2.220,23.12,5.14,8.112,16.127,31.132,35.138,41.017,21.022,26.045,52.048,51.011,59.039,54]hexaconta-2,4,6,8(59),9,12,14,16(58),18,20,22,24,27(55),28,30,33,35(54),36,38,40,43,45(52),46,48(51),49,56-hexacosaene.

What is the SMILES notation for 53,60-dioxa-1,3,9,11,17,26,32,34,40,42-decazapentadecacyclo[40.8.2.220,23.12,5.14,8.112,16.127,31.132,35.138,41.017,21.022,26.045,52.048,51.011,59.039,54]hexaconta-2,4,6,8(59),9,12,14,16(58),18,20,22,24,27(55),28,30,33,35(54),36,38,40,43,45(52),46,48(51),49,56-hexacosaene?

The canonical SMILES for 53,60-dioxa-1,3,9,11,17,26,32,34,40,42-decazapentadecacyclo[40.8.2.220,23.12,5.14,8.112,16.127,31.132,35.138,41.017,21.022,26.045,52.048,51.011,59.039,54]hexaconta-2,4,6,8(59),9,12,14,16(58),18,20,22,24,27(55),28,30,33,35(54),36,38,40,43,45(52),46,48(51),49,56-hexacosaene is c1cc2cc(c1)n1ccc3ccc4ccn(c5cccc(c5)n5cnc6ccc7oc(nc7c65)n5ccc6ccc7ccn(c8nc9c(ccc%10ncn2c%109)o8)c7c65)c4c31.

What is the InChIKey of 53,60-dioxa-1,3,9,11,17,26,32,34,40,42-decazapentadecacyclo[40.8.2.220,23.12,5.14,8.112,16.127,31.132,35.138,41.017,21.022,26.045,52.048,51.011,59.039,54]hexaconta-2,4,6,8(59),9,12,14,16(58),18,20,22,24,27(55),28,30,33,35(54),36,38,40,43,45(52),46,48(51),49,56-hexacosaene?

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

What are the key properties of 53,60-dioxa-1,3,9,11,17,26,32,34,40,42-decazapentadecacyclo[40.8.2.220,23.12,5.14,8.112,16.127,31.132,35.138,41.017,21.022,26.045,52.048,51.011,59.039,54]hexaconta-2,4,6,8(59),9,12,14,16(58),18,20,22,24,27(55),28,30,33,35(54),36,38,40,43,45(52),46,48(51),49,56-hexacosaene?

53,60-dioxa-1,3,9,11,17,26,32,34,40,42-decazapentadecacyclo[40.8.2.220,23.12,5.14,8.112,16.127,31.132,35.138,41.017,21.022,26.045,52.048,51.011,59.039,54]hexaconta-2,4,6,8(59),9,12,14,16(58),18,20,22,24,27(55),28,30,33,35(54),36,38,40,43,45(52),46,48(51),49,56-hexacosaene has a molecular weight of 774.80 g/mol, XLogP of 10.88, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 53,60-dioxa-1,3,9,11,17,26,32,34,40,42-decazapentadecacyclo[40.8.2.220,23.12,5.14,8.112,16.127,31.132,35.138,41.017,21.022,26.045,52.048,51.011,59.039,54]hexaconta-2,4,6,8(59),9,12,14,16(58),18,20,22,24,27(55),28,30,33,35(54),36,38,40,43,45(52),46,48(51),49,56-hexacosaene is sourced from PubChem (CID 122694699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).