14,27-dimethyl-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),9,12,14,17,19,21,23,26,28,31,33(52),34,36,38,41,43(50),44,46(49),47,53,55,57-hexacosaene

C50H30N10O2 — CID 122694705

About 14,27-dimethyl-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),9,12,14,17,19,21,23,26,28,31,33(52),34,36,38,41,43(50),44,46(49),47,53,55,57-hexacosaene

14,27-dimethyl-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),9,12,14,17,19,21,23,26,28,31,33(52),34,36,38,41,43(50),44,46(49),47,53,55,57-hexacosaene (PubChem CID 122694705) has the molecular formula C50H30N10O2 and a molecular weight of 802.86 g/mol. Its IUPAC name is 14,27-dimethyl-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),9,12,14,17,19,21,23,26,28,31,33(52),34,36,38,41,43(50),44,46(49),47,53,55,57-hexacosaene.

Molecular Properties

• Compound Name: 14,27-dimethyl-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),9,12,14,17,19,21,23,26,28,31,33(52),34,36,38,41,43(50),44,46(49),47,53,55,57-hexacosaene
• PubChem CID: 122694705
• Molecular Formula: C50H30N10O2
• Molecular Weight: 802.86 g/mol
• Exact Mass: 802.26
• IUPAC Name: 14,27-dimethyl-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),9,12,14,17,19,21,23,26,28,31,33(52),34,36,38,41,43(50),44,46(49),47,53,55,57-hexacosaene
• SMILES: Cc1cc2ccc1-n1ccc3ccc4ccn(c4c31)-c1ccc(cc1C)-n1cnc3ccc4oc(nc4c31)-n1ccc3ccc4ccn(c4c31)-c1nc3c(ccc4ncn-2c43)o1
• InChI: InChI=1S/C50H30N10O2/c1-27-23-33-7-11-37(27)55-19-15-29-3-4-30-16-20-56(44(30)43(29)55)38-12-8-34(24-28(38)2)60-26-52-36-10-14-40-42(48(36)60)54-50(62-40)58-22-18-32-6-5-31-17-21-57(45(31)46(32)58)49-53-41-39(61-49)13-9-35-47(41)59(33)25-51-35/h3-26H,1-2H3
• InChIKey: RDNRZMPRHITVKP-UHFFFAOYSA-N
• XLogP: 11.35
• TPSA: 107.42 Ų
• H-Bond Acceptors: 12
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	802.86
LogP ≤ 5	11.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 14,27-dimethyl-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),9,12,14,17,19,21,23,26,28,31,33(52),34,36,38,41,43(50),44,46(49),47,53,55,57-hexacosaene?

The IUPAC name of 14,27-dimethyl-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),9,12,14,17,19,21,23,26,28,31,33(52),34,36,38,41,43(50),44,46(49),47,53,55,57-hexacosaene (CID 122694705) is 14,27-dimethyl-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),9,12,14,17,19,21,23,26,28,31,33(52),34,36,38,41,43(50),44,46(49),47,53,55,57-hexacosaene.

What is the SMILES notation for 14,27-dimethyl-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),9,12,14,17,19,21,23,26,28,31,33(52),34,36,38,41,43(50),44,46(49),47,53,55,57-hexacosaene?

The canonical SMILES for 14,27-dimethyl-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),9,12,14,17,19,21,23,26,28,31,33(52),34,36,38,41,43(50),44,46(49),47,53,55,57-hexacosaene is Cc1cc2ccc1-n1ccc3ccc4ccn(c4c31)-c1ccc(cc1C)-n1cnc3ccc4oc(nc4c31)-n1ccc3ccc4ccn(c4c31)-c1nc3c(ccc4ncn-2c43)o1.

What is the InChIKey of 14,27-dimethyl-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),9,12,14,17,19,21,23,26,28,31,33(52),34,36,38,41,43(50),44,46(49),47,53,55,57-hexacosaene?

The InChIKey is RDNRZMPRHITVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30N10O2/c1-27-23-33-7-11-37(27)55-19-15-29-3-4-30-16-20-56(44(30)43(29)55)38-12-8-34(24-28(38)2)60-26-52-36-10-14-40-42(48(36)60)54-50(62-40)58-22-18-32-6-5-31-17-21-57(45(31)46(32)58)49-53-41-39(61-49)13-9-35-47(41)59(33)25-51-35/h3-26H,1-2H3.

What are the key properties of 14,27-dimethyl-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),9,12,14,17,19,21,23,26,28,31,33(52),34,36,38,41,43(50),44,46(49),47,53,55,57-hexacosaene?

14,27-dimethyl-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),9,12,14,17,19,21,23,26,28,31,33(52),34,36,38,41,43(50),44,46(49),47,53,55,57-hexacosaene has a molecular weight of 802.86 g/mol, XLogP of 11.35, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 14,27-dimethyl-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),9,12,14,17,19,21,23,26,28,31,33(52),34,36,38,41,43(50),44,46(49),47,53,55,57-hexacosaene is sourced from PubChem (CID 122694705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).