11,14,22,26-tetrakis[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-18-[4-[4-(2,4,4-trimethylpentan-2-yl)-N-[4-(2,4,4-trimethylpentan-2-yl)phenyl]anilino]phenyl]-7-oxa-18-azaheptacyclo[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

C114H134N2O9 — CID 59831073

About 11,14,22,26-tetrakis[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-18-[4-[4-(2,4,4-trimethylpentan-2-yl)-N-[4-(2,4,4-trimethylpentan-2-yl)phenyl]anilino]phenyl]-7-oxa-18-azaheptacyclo[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-(2,4,4-trimethylpentan-2-yl)phenoxy]-18-[4-[4-(2,4,4-trimethylpentan-2-yl)-N-[4-(2,4,4-trimethylpentan-2-yl)phenyl]anilino]phenyl]-7-oxa-18-azaheptacyclo[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 59831073) has the molecular formula C114H134N2O9 and a molecular weight of 1676.33 g/mol. Its IUPAC name is 11,14,22,26-tetrakis[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-18-[4-[4-(2,4,4-trimethylpentan-2-yl)-N-[4-(2,4,4-trimethylpentan-2-yl)phenyl]anilino]phenyl]-7-oxa-18-azaheptacyclo[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-(2,4,4-trimethylpentan-2-yl)phenoxy]-18-[4-[4-(2,4,4-trimethylpentan-2-yl)-N-[4-(2,4,4-trimethylpentan-2-yl)phenyl]anilino]phenyl]-7-oxa-18-azaheptacyclo[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: 59831073
• Molecular Formula: C114H134N2O9
• Molecular Weight: 1676.33 g/mol
• Exact Mass: 1675.01
• IUPAC Name: 11,14,22,26-tetrakis[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-18-[4-[4-(2,4,4-trimethylpentan-2-yl)-N-[4-(2,4,4-trimethylpentan-2-yl)phenyl]anilino]phenyl]-7-oxa-18-azaheptacyclo[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: CC(C)(C)CC(C)(C)c1ccc(Oc2cc3c4c(cc(Oc5ccc(C(C)(C)CC(C)(C)C)cc5)c5c6c(Oc7ccc(C(C)(C)CC(C)(C)C)cc7)cc7c8c(cc(Oc9ccc(C(C)(C)CC(C)(C)C)cc9)c(c2c45)c86)C(=O)N(c2ccc(N(c4ccc(C(C)(C)CC(C)(C)C)cc4)c4ccc(C(C)(C)CC(C)(C)C)cc4)cc2)C7=O)C(=O)OC3=O)cc1
• InChI: InChI=1S/C114H134N2O9/c1-103(2,3)63-109(19,20)69-31-43-75(44-32-69)115(76-45-33-70(34-46-76)110(21,22)64-104(4,5)6)77-47-49-78(50-48-77)116-99(117)83-59-87(121-79-51-35-71(36-52-79)111(23,24)65-105(7,8)9)93-95-89(123-81-55-39-73(40-56-81)113(27,28)67-107(13,14)15)61-85-92-86(102(120)125-101(85)119)62-90(124-82-57-41-74(42-58-82)114(29,30)68-108(16,17)18)96(98(92)95)94-88(60-84(100(116)118)91(83)97(93)94)122-80-53-37-72(38-54-80)112(25,26)66-106(10,11)12/h31-62H,63-68H2,1-30H3
• InChIKey: HFGJVKAYNWBOPD-UHFFFAOYSA-N
• XLogP: 32.77
• TPSA: 120.91 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 24
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1676.33
LogP ≤ 5	32.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', '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-(2,4,4-trimethylpentan-2-yl)phenoxy]-18-[4-[4-(2,4,4-trimethylpentan-2-yl)-N-[4-(2,4,4-trimethylpentan-2-yl)phenyl]anilino]phenyl]-7-oxa-18-azaheptacyclo[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-(2,4,4-trimethylpentan-2-yl)phenoxy]-18-[4-[4-(2,4,4-trimethylpentan-2-yl)-N-[4-(2,4,4-trimethylpentan-2-yl)phenyl]anilino]phenyl]-7-oxa-18-azaheptacyclo[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 59831073) is 11,14,22,26-tetrakis[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-18-[4-[4-(2,4,4-trimethylpentan-2-yl)-N-[4-(2,4,4-trimethylpentan-2-yl)phenyl]anilino]phenyl]-7-oxa-18-azaheptacyclo[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-(2,4,4-trimethylpentan-2-yl)phenoxy]-18-[4-[4-(2,4,4-trimethylpentan-2-yl)-N-[4-(2,4,4-trimethylpentan-2-yl)phenyl]anilino]phenyl]-7-oxa-18-azaheptacyclo[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-(2,4,4-trimethylpentan-2-yl)phenoxy]-18-[4-[4-(2,4,4-trimethylpentan-2-yl)-N-[4-(2,4,4-trimethylpentan-2-yl)phenyl]anilino]phenyl]-7-oxa-18-azaheptacyclo[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 CC(C)(C)CC(C)(C)c1ccc(Oc2cc3c4c(cc(Oc5ccc(C(C)(C)CC(C)(C)C)cc5)c5c6c(Oc7ccc(C(C)(C)CC(C)(C)C)cc7)cc7c8c(cc(Oc9ccc(C(C)(C)CC(C)(C)C)cc9)c(c2c45)c86)C(=O)N(c2ccc(N(c4ccc(C(C)(C)CC(C)(C)C)cc4)c4ccc(C(C)(C)CC(C)(C)C)cc4)cc2)C7=O)C(=O)OC3=O)cc1.

What is the InChIKey of 11,14,22,26-tetrakis[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-18-[4-[4-(2,4,4-trimethylpentan-2-yl)-N-[4-(2,4,4-trimethylpentan-2-yl)phenyl]anilino]phenyl]-7-oxa-18-azaheptacyclo[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 HFGJVKAYNWBOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C114H134N2O9/c1-103(2,3)63-109(19,20)69-31-43-75(44-32-69)115(76-45-33-70(34-46-76)110(21,22)64-104(4,5)6)77-47-49-78(50-48-77)116-99(117)83-59-87(121-79-51-35-71(36-52-79)111(23,24)65-105(7,8)9)93-95-89(123-81-55-39-73(40-56-81)113(27,28)67-107(13,14)15)61-85-92-86(102(120)125-101(85)119)62-90(124-82-57-41-74(42-58-82)114(29,30)68-108(16,17)18)96(98(92)95)94-88(60-84(100(116)118)91(83)97(93)94)122-80-53-37-72(38-54-80)112(25,26)66-106(10,11)12/h31-62H,63-68H2,1-30H3.

What are the key properties of 11,14,22,26-tetrakis[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-18-[4-[4-(2,4,4-trimethylpentan-2-yl)-N-[4-(2,4,4-trimethylpentan-2-yl)phenyl]anilino]phenyl]-7-oxa-18-azaheptacyclo[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-(2,4,4-trimethylpentan-2-yl)phenoxy]-18-[4-[4-(2,4,4-trimethylpentan-2-yl)-N-[4-(2,4,4-trimethylpentan-2-yl)phenyl]anilino]phenyl]-7-oxa-18-azaheptacyclo[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 1676.33 g/mol, XLogP of 32.77, 24 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 11,14,22,26-tetrakis[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-18-[4-[4-(2,4,4-trimethylpentan-2-yl)-N-[4-(2,4,4-trimethylpentan-2-yl)phenyl]anilino]phenyl]-7-oxa-18-azaheptacyclo[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 59831073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).