14,29-ditert-butyl-2,5,38,41-tetraoxa-8,9,10,18,25,33,34,35-octazanonacyclo[40.3.1.18,11.132,35.012,17.016,20.019,24.023,27.026,31]octatetraconta-1(46),9,11(48),12,14,16,19,21,23,26,28,30,32(47),33,42,44-hexadecaene

C44H48N8O4 — CID 135939137

About 14,29-ditert-butyl-2,5,38,41-tetraoxa-8,9,10,18,25,33,34,35-octazanonacyclo[40.3.1.18,11.132,35.012,17.016,20.019,24.023,27.026,31]octatetraconta-1(46),9,11(48),12,14,16,19,21,23,26,28,30,32(47),33,42,44-hexadecaene

14,29-ditert-butyl-2,5,38,41-tetraoxa-8,9,10,18,25,33,34,35-octazanonacyclo[40.3.1.18,11.132,35.012,17.016,20.019,24.023,27.026,31]octatetraconta-1(46),9,11(48),12,14,16,19,21,23,26,28,30,32(47),33,42,44-hexadecaene (PubChem CID 135939137) has the molecular formula C44H48N8O4 and a molecular weight of 752.92 g/mol. Its IUPAC name is 14,29-ditert-butyl-2,5,38,41-tetraoxa-8,9,10,18,25,33,34,35-octazanonacyclo[40.3.1.18,11.132,35.012,17.016,20.019,24.023,27.026,31]octatetraconta-1(46),9,11(48),12,14,16,19,21,23,26,28,30,32(47),33,42,44-hexadecaene.

Molecular Properties

• Compound Name: 14,29-ditert-butyl-2,5,38,41-tetraoxa-8,9,10,18,25,33,34,35-octazanonacyclo[40.3.1.18,11.132,35.012,17.016,20.019,24.023,27.026,31]octatetraconta-1(46),9,11(48),12,14,16,19,21,23,26,28,30,32(47),33,42,44-hexadecaene
• PubChem CID: 135939137
• Molecular Formula: C44H48N8O4
• Molecular Weight: 752.92 g/mol
• Exact Mass: 752.38
• IUPAC Name: 14,29-ditert-butyl-2,5,38,41-tetraoxa-8,9,10,18,25,33,34,35-octazanonacyclo[40.3.1.18,11.132,35.012,17.016,20.019,24.023,27.026,31]octatetraconta-1(46),9,11(48),12,14,16,19,21,23,26,28,30,32(47),33,42,44-hexadecaene
• SMILES: CC(C)(C)c1cc2c3[nH]c4c(ccc5c6cc(C(C)(C)C)cc(c6[nH]c54)-c4cn(nn4)CCOCCOc4cccc(c4)OCCOCCn4cc-2nn4)c3c1
• InChI: InChI=1S/C44H48N8O4/c1-43(2,3)27-20-33-31-10-11-32-34-21-28(44(4,5)6)23-36-38-26-52(50-48-38)13-15-54-17-19-56-30-9-7-8-29(24-30)55-18-16-53-14-12-51-25-37(47-49-51)35(22-27)39(33)45-41(31)42(32)46-40(34)36/h7-11,20-26,45-46H,12-19H2,1-6H3
• InChIKey: UWCXASNXAHLGLI-UHFFFAOYSA-N
• XLogP: 8.57
• TPSA: 129.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	752.92
LogP ≤ 5	8.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 14,29-ditert-butyl-2,5,38,41-tetraoxa-8,9,10,18,25,33,34,35-octazanonacyclo[40.3.1.18,11.132,35.012,17.016,20.019,24.023,27.026,31]octatetraconta-1(46),9,11(48),12,14,16,19,21,23,26,28,30,32(47),33,42,44-hexadecaene?

The IUPAC name of 14,29-ditert-butyl-2,5,38,41-tetraoxa-8,9,10,18,25,33,34,35-octazanonacyclo[40.3.1.18,11.132,35.012,17.016,20.019,24.023,27.026,31]octatetraconta-1(46),9,11(48),12,14,16,19,21,23,26,28,30,32(47),33,42,44-hexadecaene (CID 135939137) is 14,29-ditert-butyl-2,5,38,41-tetraoxa-8,9,10,18,25,33,34,35-octazanonacyclo[40.3.1.18,11.132,35.012,17.016,20.019,24.023,27.026,31]octatetraconta-1(46),9,11(48),12,14,16,19,21,23,26,28,30,32(47),33,42,44-hexadecaene.

What is the SMILES notation for 14,29-ditert-butyl-2,5,38,41-tetraoxa-8,9,10,18,25,33,34,35-octazanonacyclo[40.3.1.18,11.132,35.012,17.016,20.019,24.023,27.026,31]octatetraconta-1(46),9,11(48),12,14,16,19,21,23,26,28,30,32(47),33,42,44-hexadecaene?

The canonical SMILES for 14,29-ditert-butyl-2,5,38,41-tetraoxa-8,9,10,18,25,33,34,35-octazanonacyclo[40.3.1.18,11.132,35.012,17.016,20.019,24.023,27.026,31]octatetraconta-1(46),9,11(48),12,14,16,19,21,23,26,28,30,32(47),33,42,44-hexadecaene is CC(C)(C)c1cc2c3[nH]c4c(ccc5c6cc(C(C)(C)C)cc(c6[nH]c54)-c4cn(nn4)CCOCCOc4cccc(c4)OCCOCCn4cc-2nn4)c3c1.

What is the InChIKey of 14,29-ditert-butyl-2,5,38,41-tetraoxa-8,9,10,18,25,33,34,35-octazanonacyclo[40.3.1.18,11.132,35.012,17.016,20.019,24.023,27.026,31]octatetraconta-1(46),9,11(48),12,14,16,19,21,23,26,28,30,32(47),33,42,44-hexadecaene?

The InChIKey is UWCXASNXAHLGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H48N8O4/c1-43(2,3)27-20-33-31-10-11-32-34-21-28(44(4,5)6)23-36-38-26-52(50-48-38)13-15-54-17-19-56-30-9-7-8-29(24-30)55-18-16-53-14-12-51-25-37(47-49-51)35(22-27)39(33)45-41(31)42(32)46-40(34)36/h7-11,20-26,45-46H,12-19H2,1-6H3.

What are the key properties of 14,29-ditert-butyl-2,5,38,41-tetraoxa-8,9,10,18,25,33,34,35-octazanonacyclo[40.3.1.18,11.132,35.012,17.016,20.019,24.023,27.026,31]octatetraconta-1(46),9,11(48),12,14,16,19,21,23,26,28,30,32(47),33,42,44-hexadecaene?

14,29-ditert-butyl-2,5,38,41-tetraoxa-8,9,10,18,25,33,34,35-octazanonacyclo[40.3.1.18,11.132,35.012,17.016,20.019,24.023,27.026,31]octatetraconta-1(46),9,11(48),12,14,16,19,21,23,26,28,30,32(47),33,42,44-hexadecaene has a molecular weight of 752.92 g/mol, XLogP of 8.57, 0 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 14,29-ditert-butyl-2,5,38,41-tetraoxa-8,9,10,18,25,33,34,35-octazanonacyclo[40.3.1.18,11.132,35.012,17.016,20.019,24.023,27.026,31]octatetraconta-1(46),9,11(48),12,14,16,19,21,23,26,28,30,32(47),33,42,44-hexadecaene is sourced from PubChem (CID 135939137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).