4,22,28,46,51,68-hexaoxa-10,13,16,34,37,40,57,74-octaza-1,25-diazonianonacyclo[35.11.11.1113,25.25,8.218,21.229,32.242,45.252,55.269,72]dooctaconta-5,7,18,20,29(65),30,32(64),42(63),43,45(62),52,54,60,69(82),70,72(81),77,79-octadecaene

C66H92N10O6+2 — CID 4867773

About 4,22,28,46,51,68-hexaoxa-10,13,16,34,37,40,57,74-octaza-1,25-diazonianonacyclo[35.11.11.1113,25.25,8.218,21.229,32.242,45.252,55.269,72]dooctaconta-5,7,18,20,29(65),30,32(64),42(63),43,45(62),52,54,60,69(82),70,72(81),77,79-octadecaene

4,22,28,46,51,68-hexaoxa-10,13,16,34,37,40,57,74-octaza-1,25-diazonianonacyclo[35.11.11.1113,25.25,8.218,21.229,32.242,45.252,55.269,72]dooctaconta-5,7,18,20,29(65),30,32(64),42(63),43,45(62),52,54,60,69(82),70,72(81),77,79-octadecaene (PubChem CID 4867773) has the molecular formula C66H92N10O6+2 and a molecular weight of 1121.53 g/mol. Its IUPAC name is 4,22,28,46,51,68-hexaoxa-10,13,16,34,37,40,57,74-octaza-1,25-diazonianonacyclo[35.11.11.1113,25.25,8.218,21.229,32.242,45.252,55.269,72]dooctaconta-5,7,18,20,29(65),30,32(64),42(63),43,45(62),52,54,60,69(82),70,72(81),77,79-octadecaene.

Molecular Properties

• Compound Name: 4,22,28,46,51,68-hexaoxa-10,13,16,34,37,40,57,74-octaza-1,25-diazonianonacyclo[35.11.11.1113,25.25,8.218,21.229,32.242,45.252,55.269,72]dooctaconta-5,7,18,20,29(65),30,32(64),42(63),43,45(62),52,54,60,69(82),70,72(81),77,79-octadecaene
• PubChem CID: 4867773
• Molecular Formula: C66H92N10O6+2
• Molecular Weight: 1121.53 g/mol
• Exact Mass: 1120.72
• IUPAC Name: 4,22,28,46,51,68-hexaoxa-10,13,16,34,37,40,57,74-octaza-1,25-diazonianonacyclo[35.11.11.1113,25.25,8.218,21.229,32.242,45.252,55.269,72]dooctaconta-5,7,18,20,29(65),30,32(64),42(63),43,45(62),52,54,60,69(82),70,72(81),77,79-octadecaene
• SMILES: c1cc2ccc1CNCCN1CCNCc3ccc(cc3)OCC[NH+](CCO2)CCOc2ccc(cc2)CNCCN2CCNCc3ccc(cc3)OCC[NH+](CCOc3ccc(cc3)CNCC2)CCOc2ccc(cc2)CNCC1
• InChI: InChI=1S/C66H90N10O6/c1-13-61-14-2-55(1)49-67-25-31-73-32-26-68-50-56-3-15-62(16-4-56)78-44-38-75(37-43-77-61)41-47-81-65-21-9-60(10-22-65)54-72-30-36-74-33-27-69-51-57-5-17-63(18-6-57)79-45-39-76(40-46-80-64-19-7-58(8-20-64)52-70-28-34-74)42-48-82-66-23-11-59(12-24-66)53-71-29-35-73/h1-24,67-72H,25-54H2/p+2
• InChIKey: BVEVWAQTJPBDIL-UHFFFAOYSA-P
• XLogP: 3.41
• TPSA: 142.92 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 14
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1121.53
LogP ≤ 5	3.41
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 4,22,28,46,51,68-hexaoxa-10,13,16,34,37,40,57,74-octaza-1,25-diazonianonacyclo[35.11.11.1113,25.25,8.218,21.229,32.242,45.252,55.269,72]dooctaconta-5,7,18,20,29(65),30,32(64),42(63),43,45(62),52,54,60,69(82),70,72(81),77,79-octadecaene?

The IUPAC name of 4,22,28,46,51,68-hexaoxa-10,13,16,34,37,40,57,74-octaza-1,25-diazonianonacyclo[35.11.11.1113,25.25,8.218,21.229,32.242,45.252,55.269,72]dooctaconta-5,7,18,20,29(65),30,32(64),42(63),43,45(62),52,54,60,69(82),70,72(81),77,79-octadecaene (CID 4867773) is 4,22,28,46,51,68-hexaoxa-10,13,16,34,37,40,57,74-octaza-1,25-diazonianonacyclo[35.11.11.1113,25.25,8.218,21.229,32.242,45.252,55.269,72]dooctaconta-5,7,18,20,29(65),30,32(64),42(63),43,45(62),52,54,60,69(82),70,72(81),77,79-octadecaene.

What is the SMILES notation for 4,22,28,46,51,68-hexaoxa-10,13,16,34,37,40,57,74-octaza-1,25-diazonianonacyclo[35.11.11.1113,25.25,8.218,21.229,32.242,45.252,55.269,72]dooctaconta-5,7,18,20,29(65),30,32(64),42(63),43,45(62),52,54,60,69(82),70,72(81),77,79-octadecaene?

The canonical SMILES for 4,22,28,46,51,68-hexaoxa-10,13,16,34,37,40,57,74-octaza-1,25-diazonianonacyclo[35.11.11.1113,25.25,8.218,21.229,32.242,45.252,55.269,72]dooctaconta-5,7,18,20,29(65),30,32(64),42(63),43,45(62),52,54,60,69(82),70,72(81),77,79-octadecaene is c1cc2ccc1CNCCN1CCNCc3ccc(cc3)OCC[NH+](CCO2)CCOc2ccc(cc2)CNCCN2CCNCc3ccc(cc3)OCC[NH+](CCOc3ccc(cc3)CNCC2)CCOc2ccc(cc2)CNCC1.

What is the InChIKey of 4,22,28,46,51,68-hexaoxa-10,13,16,34,37,40,57,74-octaza-1,25-diazonianonacyclo[35.11.11.1113,25.25,8.218,21.229,32.242,45.252,55.269,72]dooctaconta-5,7,18,20,29(65),30,32(64),42(63),43,45(62),52,54,60,69(82),70,72(81),77,79-octadecaene?

The InChIKey is BVEVWAQTJPBDIL-UHFFFAOYSA-P. The full InChI is InChI=1S/C66H90N10O6/c1-13-61-14-2-55(1)49-67-25-31-73-32-26-68-50-56-3-15-62(16-4-56)78-44-38-75(37-43-77-61)41-47-81-65-21-9-60(10-22-65)54-72-30-36-74-33-27-69-51-57-5-17-63(18-6-57)79-45-39-76(40-46-80-64-19-7-58(8-20-64)52-70-28-34-74)42-48-82-66-23-11-59(12-24-66)53-71-29-35-73/h1-24,67-72H,25-54H2/p+2.

What are the key properties of 4,22,28,46,51,68-hexaoxa-10,13,16,34,37,40,57,74-octaza-1,25-diazonianonacyclo[35.11.11.1113,25.25,8.218,21.229,32.242,45.252,55.269,72]dooctaconta-5,7,18,20,29(65),30,32(64),42(63),43,45(62),52,54,60,69(82),70,72(81),77,79-octadecaene?

4,22,28,46,51,68-hexaoxa-10,13,16,34,37,40,57,74-octaza-1,25-diazonianonacyclo[35.11.11.1113,25.25,8.218,21.229,32.242,45.252,55.269,72]dooctaconta-5,7,18,20,29(65),30,32(64),42(63),43,45(62),52,54,60,69(82),70,72(81),77,79-octadecaene has a molecular weight of 1121.53 g/mol, XLogP of 3.41, 0 rotatable bonds, 8 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 4,22,28,46,51,68-hexaoxa-10,13,16,34,37,40,57,74-octaza-1,25-diazonianonacyclo[35.11.11.1113,25.25,8.218,21.229,32.242,45.252,55.269,72]dooctaconta-5,7,18,20,29(65),30,32(64),42(63),43,45(62),52,54,60,69(82),70,72(81),77,79-octadecaene is sourced from PubChem (CID 4867773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).