2,2,34,34-tetraethyl-18,50-dimethyl-15,21,47,53-tetraoxa-8,18,28,40,50,60,65,66,67,68-decazanonacyclo[60.2.1.13,6.130,33.135,38.09,14.022,27.041,46.054,59]octahexaconta-1(64),3,5,7,9,11,13,22,24,26,28,30,32,35,37,39,41,43,45,54,56,58,60,62-tetracosaene

C64H74N10O4 — CID 139159036

About 2,2,34,34-tetraethyl-18,50-dimethyl-15,21,47,53-tetraoxa-8,18,28,40,50,60,65,66,67,68-decazanonacyclo[60.2.1.13,6.130,33.135,38.09,14.022,27.041,46.054,59]octahexaconta-1(64),3,5,7,9,11,13,22,24,26,28,30,32,35,37,39,41,43,45,54,56,58,60,62-tetracosaene

2,2,34,34-tetraethyl-18,50-dimethyl-15,21,47,53-tetraoxa-8,18,28,40,50,60,65,66,67,68-decazanonacyclo[60.2.1.13,6.130,33.135,38.09,14.022,27.041,46.054,59]octahexaconta-1(64),3,5,7,9,11,13,22,24,26,28,30,32,35,37,39,41,43,45,54,56,58,60,62-tetracosaene (PubChem CID 139159036) has the molecular formula C64H74N10O4 and a molecular weight of 1047.36 g/mol. Its IUPAC name is 2,2,34,34-tetraethyl-18,50-dimethyl-15,21,47,53-tetraoxa-8,18,28,40,50,60,65,66,67,68-decazanonacyclo[60.2.1.13,6.130,33.135,38.09,14.022,27.041,46.054,59]octahexaconta-1(64),3,5,7,9,11,13,22,24,26,28,30,32,35,37,39,41,43,45,54,56,58,60,62-tetracosaene.

Molecular Properties

• Compound Name: 2,2,34,34-tetraethyl-18,50-dimethyl-15,21,47,53-tetraoxa-8,18,28,40,50,60,65,66,67,68-decazanonacyclo[60.2.1.13,6.130,33.135,38.09,14.022,27.041,46.054,59]octahexaconta-1(64),3,5,7,9,11,13,22,24,26,28,30,32,35,37,39,41,43,45,54,56,58,60,62-tetracosaene
• PubChem CID: 139159036
• Molecular Formula: C64H74N10O4
• Molecular Weight: 1047.36 g/mol
• Exact Mass: 1046.59
• IUPAC Name: 2,2,34,34-tetraethyl-18,50-dimethyl-15,21,47,53-tetraoxa-8,18,28,40,50,60,65,66,67,68-decazanonacyclo[60.2.1.13,6.130,33.135,38.09,14.022,27.041,46.054,59]octahexaconta-1(64),3,5,7,9,11,13,22,24,26,28,30,32,35,37,39,41,43,45,54,56,58,60,62-tetracosaene
• SMILES: CCC1(CC)c2ccc([nH]2)/C=N\c2ccccc2OCCN(C)CCOc2ccccc2/N=C/c2ccc([nH]2)C(CC)(CC)c2ccc([nH]2)/C=N\c2ccccc2OCCN(C)CCOc2ccccc2/N=C/c2ccc1[nH]2
• InChI: InChI=1S/C64H74N10O4/c1-7-63(8-2)59-31-27-47(69-59)43-65-51-19-11-15-23-55(51)75-39-35-73(5)37-41-77-57-25-17-13-21-53(57)67-45-49-29-33-61(71-49)64(9-3,10-4)62-34-30-50(72-62)46-68-54-22-14-18-26-58(54)78-42-38-74(6)36-40-76-56-24-16-12-20-52(56)66-44-48-28-32-60(63)70-48/h11-34,43-46,69-72H,7-10,35-42H2,1-6H3/b65-43-,66-44+,67-45+,68-46-
• InChIKey: ZEVCHUQLQRUADW-JKPQJEMSSA-N
• XLogP: 13.31
• TPSA: 156.00 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 4
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1047.36
LogP ≤ 5	13.31
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2,2,34,34-tetraethyl-18,50-dimethyl-15,21,47,53-tetraoxa-8,18,28,40,50,60,65,66,67,68-decazanonacyclo[60.2.1.13,6.130,33.135,38.09,14.022,27.041,46.054,59]octahexaconta-1(64),3,5,7,9,11,13,22,24,26,28,30,32,35,37,39,41,43,45,54,56,58,60,62-tetracosaene?

The IUPAC name of 2,2,34,34-tetraethyl-18,50-dimethyl-15,21,47,53-tetraoxa-8,18,28,40,50,60,65,66,67,68-decazanonacyclo[60.2.1.13,6.130,33.135,38.09,14.022,27.041,46.054,59]octahexaconta-1(64),3,5,7,9,11,13,22,24,26,28,30,32,35,37,39,41,43,45,54,56,58,60,62-tetracosaene (CID 139159036) is 2,2,34,34-tetraethyl-18,50-dimethyl-15,21,47,53-tetraoxa-8,18,28,40,50,60,65,66,67,68-decazanonacyclo[60.2.1.13,6.130,33.135,38.09,14.022,27.041,46.054,59]octahexaconta-1(64),3,5,7,9,11,13,22,24,26,28,30,32,35,37,39,41,43,45,54,56,58,60,62-tetracosaene.

What is the SMILES notation for 2,2,34,34-tetraethyl-18,50-dimethyl-15,21,47,53-tetraoxa-8,18,28,40,50,60,65,66,67,68-decazanonacyclo[60.2.1.13,6.130,33.135,38.09,14.022,27.041,46.054,59]octahexaconta-1(64),3,5,7,9,11,13,22,24,26,28,30,32,35,37,39,41,43,45,54,56,58,60,62-tetracosaene?

The canonical SMILES for 2,2,34,34-tetraethyl-18,50-dimethyl-15,21,47,53-tetraoxa-8,18,28,40,50,60,65,66,67,68-decazanonacyclo[60.2.1.13,6.130,33.135,38.09,14.022,27.041,46.054,59]octahexaconta-1(64),3,5,7,9,11,13,22,24,26,28,30,32,35,37,39,41,43,45,54,56,58,60,62-tetracosaene is CCC1(CC)c2ccc([nH]2)/C=N\c2ccccc2OCCN(C)CCOc2ccccc2/N=C/c2ccc([nH]2)C(CC)(CC)c2ccc([nH]2)/C=N\c2ccccc2OCCN(C)CCOc2ccccc2/N=C/c2ccc1[nH]2.

What is the InChIKey of 2,2,34,34-tetraethyl-18,50-dimethyl-15,21,47,53-tetraoxa-8,18,28,40,50,60,65,66,67,68-decazanonacyclo[60.2.1.13,6.130,33.135,38.09,14.022,27.041,46.054,59]octahexaconta-1(64),3,5,7,9,11,13,22,24,26,28,30,32,35,37,39,41,43,45,54,56,58,60,62-tetracosaene?

The InChIKey is ZEVCHUQLQRUADW-JKPQJEMSSA-N. The full InChI is InChI=1S/C64H74N10O4/c1-7-63(8-2)59-31-27-47(69-59)43-65-51-19-11-15-23-55(51)75-39-35-73(5)37-41-77-57-25-17-13-21-53(57)67-45-49-29-33-61(71-49)64(9-3,10-4)62-34-30-50(72-62)46-68-54-22-14-18-26-58(54)78-42-38-74(6)36-40-76-56-24-16-12-20-52(56)66-44-48-28-32-60(63)70-48/h11-34,43-46,69-72H,7-10,35-42H2,1-6H3/b65-43-,66-44+,67-45+,68-46-.

What are the key properties of 2,2,34,34-tetraethyl-18,50-dimethyl-15,21,47,53-tetraoxa-8,18,28,40,50,60,65,66,67,68-decazanonacyclo[60.2.1.13,6.130,33.135,38.09,14.022,27.041,46.054,59]octahexaconta-1(64),3,5,7,9,11,13,22,24,26,28,30,32,35,37,39,41,43,45,54,56,58,60,62-tetracosaene?

2,2,34,34-tetraethyl-18,50-dimethyl-15,21,47,53-tetraoxa-8,18,28,40,50,60,65,66,67,68-decazanonacyclo[60.2.1.13,6.130,33.135,38.09,14.022,27.041,46.054,59]octahexaconta-1(64),3,5,7,9,11,13,22,24,26,28,30,32,35,37,39,41,43,45,54,56,58,60,62-tetracosaene has a molecular weight of 1047.36 g/mol, XLogP of 13.31, 4 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2,34,34-tetraethyl-18,50-dimethyl-15,21,47,53-tetraoxa-8,18,28,40,50,60,65,66,67,68-decazanonacyclo[60.2.1.13,6.130,33.135,38.09,14.022,27.041,46.054,59]octahexaconta-1(64),3,5,7,9,11,13,22,24,26,28,30,32,35,37,39,41,43,45,54,56,58,60,62-tetracosaene is sourced from PubChem (CID 139159036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).