5,8,14,17,23,26-hexakis-decyl-32,35-bis(3-methoxyphenyl)-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19,21(38),22,24,26,28,30(37),31,33,35-nonadecaene

C106H150N8O2 — CID 10235949

About 5,8,14,17,23,26-hexakis-decyl-32,35-bis(3-methoxyphenyl)-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19,21(38),22,24,26,28,30(37),31,33,35-nonadecaene

5,8,14,17,23,26-hexakis-decyl-32,35-bis(3-methoxyphenyl)-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19,21(38),22,24,26,28,30(37),31,33,35-nonadecaene (PubChem CID 10235949) has the molecular formula C106H150N8O2 and a molecular weight of 1568.42 g/mol. Its IUPAC name is 5,8,14,17,23,26-hexakis-decyl-32,35-bis(3-methoxyphenyl)-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19,21(38),22,24,26,28,30(37),31,33,35-nonadecaene.

Molecular Properties

• Compound Name: 5,8,14,17,23,26-hexakis-decyl-32,35-bis(3-methoxyphenyl)-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19,21(38),22,24,26,28,30(37),31,33,35-nonadecaene
• PubChem CID: 10235949
• Molecular Formula: C106H150N8O2
• Molecular Weight: 1568.42 g/mol
• Exact Mass: 1567.19
• IUPAC Name: 5,8,14,17,23,26-hexakis-decyl-32,35-bis(3-methoxyphenyl)-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19,21(38),22,24,26,28,30(37),31,33,35-nonadecaene
• SMILES: CCCCCCCCCCc1ccc(CCCCCCCCCC)c2c1-c1nc-2nc2[nH]c(nc3[nH]c(nc4nc(n1)-c1c(-c5cccc(OC)c5)ccc(-c5cccc(OC)c5)c1-4)c1c(CCCCCCCCCC)ccc(CCCCCCCCCC)c31)c1c(CCCCCCCCCC)ccc(CCCCCCCCCC)c21
• InChI: InChI=1S/C106H150N8O2/c1-9-15-21-27-33-39-45-51-59-79-69-70-80(60-52-46-40-34-28-22-16-10-2)92-91(79)99-107-100(92)109-102-94-82(62-54-48-42-36-30-24-18-12-4)72-74-84(64-56-50-44-38-32-26-20-14-6)96(94)104(111-102)113-106-98-90(86-66-58-68-88(78-86)116-8)76-75-89(85-65-57-67-87(77-85)115-7)97(98)105(114-106)112-103-95-83(63-55-49-43-37-31-25-19-13-5)73-71-81(93(95)101(108-99)110-103)61-53-47-41-35-29-23-17-11-3/h57-58,65-78H,9-56,59-64H2,1-8H3,(H2,107,108,109,110,111,112,113,114)
• InChIKey: LQKPSWCKCIRFLZ-UHFFFAOYSA-N
• XLogP: 32.32
• TPSA: 127.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 58
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1568.42
LogP ≤ 5	32.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5,8,14,17,23,26-hexakis-decyl-32,35-bis(3-methoxyphenyl)-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19,21(38),22,24,26,28,30(37),31,33,35-nonadecaene?

The IUPAC name of 5,8,14,17,23,26-hexakis-decyl-32,35-bis(3-methoxyphenyl)-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19,21(38),22,24,26,28,30(37),31,33,35-nonadecaene (CID 10235949) is 5,8,14,17,23,26-hexakis-decyl-32,35-bis(3-methoxyphenyl)-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19,21(38),22,24,26,28,30(37),31,33,35-nonadecaene.

What is the SMILES notation for 5,8,14,17,23,26-hexakis-decyl-32,35-bis(3-methoxyphenyl)-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19,21(38),22,24,26,28,30(37),31,33,35-nonadecaene?

The canonical SMILES for 5,8,14,17,23,26-hexakis-decyl-32,35-bis(3-methoxyphenyl)-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19,21(38),22,24,26,28,30(37),31,33,35-nonadecaene is CCCCCCCCCCc1ccc(CCCCCCCCCC)c2c1-c1nc-2nc2[nH]c(nc3[nH]c(nc4nc(n1)-c1c(-c5cccc(OC)c5)ccc(-c5cccc(OC)c5)c1-4)c1c(CCCCCCCCCC)ccc(CCCCCCCCCC)c31)c1c(CCCCCCCCCC)ccc(CCCCCCCCCC)c21.

What is the InChIKey of 5,8,14,17,23,26-hexakis-decyl-32,35-bis(3-methoxyphenyl)-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19,21(38),22,24,26,28,30(37),31,33,35-nonadecaene?

The InChIKey is LQKPSWCKCIRFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C106H150N8O2/c1-9-15-21-27-33-39-45-51-59-79-69-70-80(60-52-46-40-34-28-22-16-10-2)92-91(79)99-107-100(92)109-102-94-82(62-54-48-42-36-30-24-18-12-4)72-74-84(64-56-50-44-38-32-26-20-14-6)96(94)104(111-102)113-106-98-90(86-66-58-68-88(78-86)116-8)76-75-89(85-65-57-67-87(77-85)115-7)97(98)105(114-106)112-103-95-83(63-55-49-43-37-31-25-19-13-5)73-71-81(93(95)101(108-99)110-103)61-53-47-41-35-29-23-17-11-3/h57-58,65-78H,9-56,59-64H2,1-8H3,(H2,107,108,109,110,111,112,113,114).

What are the key properties of 5,8,14,17,23,26-hexakis-decyl-32,35-bis(3-methoxyphenyl)-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19,21(38),22,24,26,28,30(37),31,33,35-nonadecaene?

5,8,14,17,23,26-hexakis-decyl-32,35-bis(3-methoxyphenyl)-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19,21(38),22,24,26,28,30(37),31,33,35-nonadecaene has a molecular weight of 1568.42 g/mol, XLogP of 32.32, 58 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5,8,14,17,23,26-hexakis-decyl-32,35-bis(3-methoxyphenyl)-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19,21(38),22,24,26,28,30(37),31,33,35-nonadecaene is sourced from PubChem (CID 10235949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).