11,14,22,26-tetrakis(4-tert-butylphenoxy)-7,18-dioctadecyl-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

C100H130N2O8 — CID 56641776

About 11,14,22,26-tetrakis(4-tert-butylphenoxy)-7,18-dioctadecyl-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

11,14,22,26-tetrakis(4-tert-butylphenoxy)-7,18-dioctadecyl-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 56641776) has the molecular formula C100H130N2O8 and a molecular weight of 1488.15 g/mol. Its IUPAC name is 11,14,22,26-tetrakis(4-tert-butylphenoxy)-7,18-dioctadecyl-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: 11,14,22,26-tetrakis(4-tert-butylphenoxy)-7,18-dioctadecyl-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: 56641776
• Molecular Formula: C100H130N2O8
• Molecular Weight: 1488.15 g/mol
• Exact Mass: 1486.98
• IUPAC Name: 11,14,22,26-tetrakis(4-tert-butylphenoxy)-7,18-dioctadecyl-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: CCCCCCCCCCCCCCCCCCN1C(=O)c2cc(Oc3ccc(C(C)(C)C)cc3)c3c4c(Oc5ccc(C(C)(C)C)cc5)cc5c6c(cc(Oc7ccc(C(C)(C)C)cc7)c(c7c(Oc8ccc(C(C)(C)C)cc8)cc(c2c37)C1=O)c64)C(=O)N(CCCCCCCCCCCCCCCCCC)C5=O
• InChI: InChI=1S/C100H130N2O8/c1-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-63-101-93(103)77-65-81(107-73-55-47-69(48-56-73)97(3,4)5)87-89-83(109-75-59-51-71(52-60-75)99(9,10)11)67-79-86-80(96(106)102(95(79)105)64-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-2)68-84(110-76-61-53-72(54-62-76)100(12,13)14)90(92(86)89)88-82(66-78(94(101)104)85(77)91(87)88)108-74-57-49-70(50-58-74)98(6,7)8/h47-62,65-68H,15-46,63-64H2,1-14H3
• InChIKey: HBYFOBVBWUTHPJ-UHFFFAOYSA-N
• XLogP: 29.81
• TPSA: 111.68 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 42
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1488.15
LogP ≤ 5	29.81
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 11,14,22,26-tetrakis(4-tert-butylphenoxy)-7,18-dioctadecyl-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 11,14,22,26-tetrakis(4-tert-butylphenoxy)-7,18-dioctadecyl-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 56641776) is 11,14,22,26-tetrakis(4-tert-butylphenoxy)-7,18-dioctadecyl-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 11,14,22,26-tetrakis(4-tert-butylphenoxy)-7,18-dioctadecyl-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 11,14,22,26-tetrakis(4-tert-butylphenoxy)-7,18-dioctadecyl-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 CCCCCCCCCCCCCCCCCCN1C(=O)c2cc(Oc3ccc(C(C)(C)C)cc3)c3c4c(Oc5ccc(C(C)(C)C)cc5)cc5c6c(cc(Oc7ccc(C(C)(C)C)cc7)c(c7c(Oc8ccc(C(C)(C)C)cc8)cc(c2c37)C1=O)c64)C(=O)N(CCCCCCCCCCCCCCCCCC)C5=O.

What is the InChIKey of 11,14,22,26-tetrakis(4-tert-butylphenoxy)-7,18-dioctadecyl-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 HBYFOBVBWUTHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C100H130N2O8/c1-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-63-101-93(103)77-65-81(107-73-55-47-69(48-56-73)97(3,4)5)87-89-83(109-75-59-51-71(52-60-75)99(9,10)11)67-79-86-80(96(106)102(95(79)105)64-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-2)68-84(110-76-61-53-72(54-62-76)100(12,13)14)90(92(86)89)88-82(66-78(94(101)104)85(77)91(87)88)108-74-57-49-70(50-58-74)98(6,7)8/h47-62,65-68H,15-46,63-64H2,1-14H3.

What are the key properties of 11,14,22,26-tetrakis(4-tert-butylphenoxy)-7,18-dioctadecyl-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?

11,14,22,26-tetrakis(4-tert-butylphenoxy)-7,18-dioctadecyl-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 1488.15 g/mol, XLogP of 29.81, 42 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 11,14,22,26-tetrakis(4-tert-butylphenoxy)-7,18-dioctadecyl-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 56641776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).