7,18-bis(2-ethylhexyl)-11-(4-methylphenoxy)-14,22,26-tris(4-nonylphenoxy)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone

C92H114N2O8 — CID 59194236

About 7,18-bis(2-ethylhexyl)-11-(4-methylphenoxy)-14,22,26-tris(4-nonylphenoxy)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone

7,18-bis(2-ethylhexyl)-11-(4-methylphenoxy)-14,22,26-tris(4-nonylphenoxy)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone (PubChem CID 59194236) has the molecular formula C92H114N2O8 and a molecular weight of 1375.93 g/mol. Its IUPAC name is 7,18-bis(2-ethylhexyl)-11-(4-methylphenoxy)-14,22,26-tris(4-nonylphenoxy)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone.

Molecular Properties

• Compound Name: 7,18-bis(2-ethylhexyl)-11-(4-methylphenoxy)-14,22,26-tris(4-nonylphenoxy)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone
• PubChem CID: 59194236
• Molecular Formula: C92H114N2O8
• Molecular Weight: 1375.93 g/mol
• Exact Mass: 1374.86
• IUPAC Name: 7,18-bis(2-ethylhexyl)-11-(4-methylphenoxy)-14,22,26-tris(4-nonylphenoxy)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone
• SMILES: CCCCCCCCCc1ccc(Oc2cc3c4c(cc(Oc5ccc(C)cc5)c5c6c(Oc7ccc(CCCCCCCCC)cc7)cc7c8c(cc(Oc9ccc(CCCCCCCCC)cc9)c(c2c45)c86)C(=O)N(CC(CC)CCCC)C7=O)C(=O)N(CC(CC)CCCC)C3=O)cc1
• InChI: InChI=1S/C92H114N2O8/c1-9-16-21-24-27-30-33-38-66-43-51-70(52-44-66)100-78-58-75-82-76(92(98)94(91(75)97)62-65(15-7)37-20-13-5)60-80(102-72-55-47-68(48-56-72)40-35-32-29-26-23-18-11-3)86-85-79(101-71-53-45-67(46-54-71)39-34-31-28-25-22-17-10-2)59-74-81-73(89(95)93(90(74)96)61-64(14-6)36-19-12-4)57-77(83(87(81)85)84(78)88(82)86)99-69-49-41-63(8)42-50-69/h41-60,64-65H,9-40,61-62H2,1-8H3
• InChIKey: SGXBLZRKWZXQCP-UHFFFAOYSA-N
• XLogP: 26.72
• TPSA: 111.68 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 44
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1375.93
LogP ≤ 5	26.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7,18-bis(2-ethylhexyl)-11-(4-methylphenoxy)-14,22,26-tris(4-nonylphenoxy)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone?

The IUPAC name of 7,18-bis(2-ethylhexyl)-11-(4-methylphenoxy)-14,22,26-tris(4-nonylphenoxy)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone (CID 59194236) is 7,18-bis(2-ethylhexyl)-11-(4-methylphenoxy)-14,22,26-tris(4-nonylphenoxy)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone.

What is the SMILES notation for 7,18-bis(2-ethylhexyl)-11-(4-methylphenoxy)-14,22,26-tris(4-nonylphenoxy)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone?

The canonical SMILES for 7,18-bis(2-ethylhexyl)-11-(4-methylphenoxy)-14,22,26-tris(4-nonylphenoxy)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone is CCCCCCCCCc1ccc(Oc2cc3c4c(cc(Oc5ccc(C)cc5)c5c6c(Oc7ccc(CCCCCCCCC)cc7)cc7c8c(cc(Oc9ccc(CCCCCCCCC)cc9)c(c2c45)c86)C(=O)N(CC(CC)CCCC)C7=O)C(=O)N(CC(CC)CCCC)C3=O)cc1.

What is the InChIKey of 7,18-bis(2-ethylhexyl)-11-(4-methylphenoxy)-14,22,26-tris(4-nonylphenoxy)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone?

The InChIKey is SGXBLZRKWZXQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C92H114N2O8/c1-9-16-21-24-27-30-33-38-66-43-51-70(52-44-66)100-78-58-75-82-76(92(98)94(91(75)97)62-65(15-7)37-20-13-5)60-80(102-72-55-47-68(48-56-72)40-35-32-29-26-23-18-11-3)86-85-79(101-71-53-45-67(46-54-71)39-34-31-28-25-22-17-10-2)59-74-81-73(89(95)93(90(74)96)61-64(14-6)36-19-12-4)57-77(83(87(81)85)84(78)88(82)86)99-69-49-41-63(8)42-50-69/h41-60,64-65H,9-40,61-62H2,1-8H3.

What are the key properties of 7,18-bis(2-ethylhexyl)-11-(4-methylphenoxy)-14,22,26-tris(4-nonylphenoxy)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone?

7,18-bis(2-ethylhexyl)-11-(4-methylphenoxy)-14,22,26-tris(4-nonylphenoxy)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone has a molecular weight of 1375.93 g/mol, XLogP of 26.72, 44 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7,18-bis(2-ethylhexyl)-11-(4-methylphenoxy)-14,22,26-tris(4-nonylphenoxy)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone is sourced from PubChem (CID 59194236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).