11,14,22,26-tetrakis(4-butoxyphenoxy)-7,18-dipropyl-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

C70H70N2O12 — CID 102053204

About 11,14,22,26-tetrakis(4-butoxyphenoxy)-7,18-dipropyl-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-butoxyphenoxy)-7,18-dipropyl-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 102053204) has the molecular formula C70H70N2O12 and a molecular weight of 1131.33 g/mol. Its IUPAC name is 11,14,22,26-tetrakis(4-butoxyphenoxy)-7,18-dipropyl-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-butoxyphenoxy)-7,18-dipropyl-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: 102053204
• Molecular Formula: C70H70N2O12
• Molecular Weight: 1131.33 g/mol
• Exact Mass: 1130.49
• IUPAC Name: 11,14,22,26-tetrakis(4-butoxyphenoxy)-7,18-dipropyl-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: CCCCOc1ccc(Oc2cc3c4c(cc(Oc5ccc(OCCCC)cc5)c5c6c(Oc7ccc(OCCCC)cc7)cc7c8c(cc(Oc9ccc(OCCCC)cc9)c(c2c45)c86)C(=O)N(CCC)C7=O)C(=O)N(CCC)C3=O)cc1
• InChI: InChI=1S/C70H70N2O12/c1-7-13-35-77-43-17-25-47(26-18-43)81-55-39-51-59-52(68(74)71(33-11-5)67(51)73)41-57(83-49-29-21-45(22-30-49)79-37-15-9-3)63-64-58(84-50-31-23-46(24-32-50)80-38-16-10-4)42-54-60-53(69(75)72(34-12-6)70(54)76)40-56(62(66(60)64)61(55)65(59)63)82-48-27-19-44(20-28-48)78-36-14-8-2/h17-32,39-42H,7-16,33-38H2,1-6H3
• InChIKey: SHXRLCNAKLWIFI-UHFFFAOYSA-N
• XLogP: 17.63
• TPSA: 148.60 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 28
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1131.33
LogP ≤ 5	17.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

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-butoxyphenoxy)-7,18-dipropyl-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-butoxyphenoxy)-7,18-dipropyl-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 102053204) is 11,14,22,26-tetrakis(4-butoxyphenoxy)-7,18-dipropyl-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-butoxyphenoxy)-7,18-dipropyl-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-butoxyphenoxy)-7,18-dipropyl-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 CCCCOc1ccc(Oc2cc3c4c(cc(Oc5ccc(OCCCC)cc5)c5c6c(Oc7ccc(OCCCC)cc7)cc7c8c(cc(Oc9ccc(OCCCC)cc9)c(c2c45)c86)C(=O)N(CCC)C7=O)C(=O)N(CCC)C3=O)cc1.

What is the InChIKey of 11,14,22,26-tetrakis(4-butoxyphenoxy)-7,18-dipropyl-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 SHXRLCNAKLWIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H70N2O12/c1-7-13-35-77-43-17-25-47(26-18-43)81-55-39-51-59-52(68(74)71(33-11-5)67(51)73)41-57(83-49-29-21-45(22-30-49)79-37-15-9-3)63-64-58(84-50-31-23-46(24-32-50)80-38-16-10-4)42-54-60-53(69(75)72(34-12-6)70(54)76)40-56(62(66(60)64)61(55)65(59)63)82-48-27-19-44(20-28-48)78-36-14-8-2/h17-32,39-42H,7-16,33-38H2,1-6H3.

What are the key properties of 11,14,22,26-tetrakis(4-butoxyphenoxy)-7,18-dipropyl-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-butoxyphenoxy)-7,18-dipropyl-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 1131.33 g/mol, XLogP of 17.63, 28 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 11,14,22,26-tetrakis(4-butoxyphenoxy)-7,18-dipropyl-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 102053204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).