10,41-bis(phenylmethoxy)-12,18,33,39-tetraoxa-25,26-diazaheptacyclo[38.8.0.02,11.03,8.019,24.027,32.043,48]octatetraconta-1(40),2(11),3,5,7,9,19,21,23,25,27,29,31,41,43,45,47-heptadecaene

C56H52N2O6 — CID 54577288

About 10,41-bis(phenylmethoxy)-12,18,33,39-tetraoxa-25,26-diazaheptacyclo[38.8.0.02,11.03,8.019,24.027,32.043,48]octatetraconta-1(40),2(11),3,5,7,9,19,21,23,25,27,29,31,41,43,45,47-heptadecaene

10,41-bis(phenylmethoxy)-12,18,33,39-tetraoxa-25,26-diazaheptacyclo[38.8.0.02,11.03,8.019,24.027,32.043,48]octatetraconta-1(40),2(11),3,5,7,9,19,21,23,25,27,29,31,41,43,45,47-heptadecaene (PubChem CID 54577288) has the molecular formula C56H52N2O6 and a molecular weight of 849.04 g/mol. Its IUPAC name is 10,41-bis(phenylmethoxy)-12,18,33,39-tetraoxa-25,26-diazaheptacyclo[38.8.0.02,11.03,8.019,24.027,32.043,48]octatetraconta-1(40),2(11),3,5,7,9,19,21,23,25,27,29,31,41,43,45,47-heptadecaene.

Molecular Properties

• Compound Name: 10,41-bis(phenylmethoxy)-12,18,33,39-tetraoxa-25,26-diazaheptacyclo[38.8.0.02,11.03,8.019,24.027,32.043,48]octatetraconta-1(40),2(11),3,5,7,9,19,21,23,25,27,29,31,41,43,45,47-heptadecaene
• PubChem CID: 54577288
• Molecular Formula: C56H52N2O6
• Molecular Weight: 849.04 g/mol
• Exact Mass: 848.38
• IUPAC Name: 10,41-bis(phenylmethoxy)-12,18,33,39-tetraoxa-25,26-diazaheptacyclo[38.8.0.02,11.03,8.019,24.027,32.043,48]octatetraconta-1(40),2(11),3,5,7,9,19,21,23,25,27,29,31,41,43,45,47-heptadecaene
• SMILES: c1ccc(COc2cc3ccccc3c3c2OCCCCCOc2ccccc2/N=N\c2ccccc2OCCCCCOc2c(OCc4ccccc4)cc4ccccc4c2-3)cc1
• InChI: InChI=1S/C56H52N2O6/c1-5-21-41(22-6-1)39-63-51-37-43-25-9-11-27-45(43)53-54-46-28-12-10-26-44(46)38-52(64-40-42-23-7-2-8-24-42)56(54)62-36-20-4-18-34-60-50-32-16-14-30-48(50)58-57-47-29-13-15-31-49(47)59-33-17-3-19-35-61-55(51)53/h1-2,5-16,21-32,37-38H,3-4,17-20,33-36,39-40H2/b58-57-
• InChIKey: JJDPNOONZJTUHP-RMAUGIHPSA-N
• XLogP: 14.80
• TPSA: 80.10 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	849.04
LogP ≤ 5	14.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 10,41-bis(phenylmethoxy)-12,18,33,39-tetraoxa-25,26-diazaheptacyclo[38.8.0.02,11.03,8.019,24.027,32.043,48]octatetraconta-1(40),2(11),3,5,7,9,19,21,23,25,27,29,31,41,43,45,47-heptadecaene?

The IUPAC name of 10,41-bis(phenylmethoxy)-12,18,33,39-tetraoxa-25,26-diazaheptacyclo[38.8.0.02,11.03,8.019,24.027,32.043,48]octatetraconta-1(40),2(11),3,5,7,9,19,21,23,25,27,29,31,41,43,45,47-heptadecaene (CID 54577288) is 10,41-bis(phenylmethoxy)-12,18,33,39-tetraoxa-25,26-diazaheptacyclo[38.8.0.02,11.03,8.019,24.027,32.043,48]octatetraconta-1(40),2(11),3,5,7,9,19,21,23,25,27,29,31,41,43,45,47-heptadecaene.

What is the SMILES notation for 10,41-bis(phenylmethoxy)-12,18,33,39-tetraoxa-25,26-diazaheptacyclo[38.8.0.02,11.03,8.019,24.027,32.043,48]octatetraconta-1(40),2(11),3,5,7,9,19,21,23,25,27,29,31,41,43,45,47-heptadecaene?

The canonical SMILES for 10,41-bis(phenylmethoxy)-12,18,33,39-tetraoxa-25,26-diazaheptacyclo[38.8.0.02,11.03,8.019,24.027,32.043,48]octatetraconta-1(40),2(11),3,5,7,9,19,21,23,25,27,29,31,41,43,45,47-heptadecaene is c1ccc(COc2cc3ccccc3c3c2OCCCCCOc2ccccc2/N=N\c2ccccc2OCCCCCOc2c(OCc4ccccc4)cc4ccccc4c2-3)cc1.

What is the InChIKey of 10,41-bis(phenylmethoxy)-12,18,33,39-tetraoxa-25,26-diazaheptacyclo[38.8.0.02,11.03,8.019,24.027,32.043,48]octatetraconta-1(40),2(11),3,5,7,9,19,21,23,25,27,29,31,41,43,45,47-heptadecaene?

The InChIKey is JJDPNOONZJTUHP-RMAUGIHPSA-N. The full InChI is InChI=1S/C56H52N2O6/c1-5-21-41(22-6-1)39-63-51-37-43-25-9-11-27-45(43)53-54-46-28-12-10-26-44(46)38-52(64-40-42-23-7-2-8-24-42)56(54)62-36-20-4-18-34-60-50-32-16-14-30-48(50)58-57-47-29-13-15-31-49(47)59-33-17-3-19-35-61-55(51)53/h1-2,5-16,21-32,37-38H,3-4,17-20,33-36,39-40H2/b58-57-.

What are the key properties of 10,41-bis(phenylmethoxy)-12,18,33,39-tetraoxa-25,26-diazaheptacyclo[38.8.0.02,11.03,8.019,24.027,32.043,48]octatetraconta-1(40),2(11),3,5,7,9,19,21,23,25,27,29,31,41,43,45,47-heptadecaene?

10,41-bis(phenylmethoxy)-12,18,33,39-tetraoxa-25,26-diazaheptacyclo[38.8.0.02,11.03,8.019,24.027,32.043,48]octatetraconta-1(40),2(11),3,5,7,9,19,21,23,25,27,29,31,41,43,45,47-heptadecaene has a molecular weight of 849.04 g/mol, XLogP of 14.80, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 10,41-bis(phenylmethoxy)-12,18,33,39-tetraoxa-25,26-diazaheptacyclo[38.8.0.02,11.03,8.019,24.027,32.043,48]octatetraconta-1(40),2(11),3,5,7,9,19,21,23,25,27,29,31,41,43,45,47-heptadecaene is sourced from PubChem (CID 54577288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).