11,14,22,26-tetrakis(4-methylphenoxy)-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

C58H46N2O8 — CID 101089213

About 11,14,22,26-tetrakis(4-methylphenoxy)-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-methylphenoxy)-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 101089213) has the molecular formula C58H46N2O8 and a molecular weight of 899.01 g/mol. Its IUPAC name is 11,14,22,26-tetrakis(4-methylphenoxy)-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-methylphenoxy)-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: 101089213
• Molecular Formula: C58H46N2O8
• Molecular Weight: 899.01 g/mol
• Exact Mass: 898.33
• IUPAC Name: 11,14,22,26-tetrakis(4-methylphenoxy)-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: CCCN1C(=O)c2cc(Oc3ccc(C)cc3)c3c4c(Oc5ccc(C)cc5)cc5c6c(cc(Oc7ccc(C)cc7)c(c7c(Oc8ccc(C)cc8)cc(c2c37)C1=O)c64)C(=O)N(CCC)C5=O
• InChI: InChI=1S/C58H46N2O8/c1-7-25-59-55(61)39-27-43(65-35-17-9-31(3)10-18-35)49-51-45(67-37-21-13-33(5)14-22-37)29-41-48-42(58(64)60(26-8-2)57(41)63)30-46(68-38-23-15-34(6)16-24-38)52(54(48)51)50-44(66-36-19-11-32(4)12-20-36)28-40(56(59)62)47(39)53(49)50/h9-24,27-30H,7-8,25-26H2,1-6H3
• InChIKey: FAKBWSIFACESEO-UHFFFAOYSA-N
• XLogP: 14.15
• TPSA: 111.68 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	899.01
LogP ≤ 5	14.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'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-methylphenoxy)-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-methylphenoxy)-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 101089213) is 11,14,22,26-tetrakis(4-methylphenoxy)-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-methylphenoxy)-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-methylphenoxy)-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 CCCN1C(=O)c2cc(Oc3ccc(C)cc3)c3c4c(Oc5ccc(C)cc5)cc5c6c(cc(Oc7ccc(C)cc7)c(c7c(Oc8ccc(C)cc8)cc(c2c37)C1=O)c64)C(=O)N(CCC)C5=O.

What is the InChIKey of 11,14,22,26-tetrakis(4-methylphenoxy)-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 FAKBWSIFACESEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H46N2O8/c1-7-25-59-55(61)39-27-43(65-35-17-9-31(3)10-18-35)49-51-45(67-37-21-13-33(5)14-22-37)29-41-48-42(58(64)60(26-8-2)57(41)63)30-46(68-38-23-15-34(6)16-24-38)52(54(48)51)50-44(66-36-19-11-32(4)12-20-36)28-40(56(59)62)47(39)53(49)50/h9-24,27-30H,7-8,25-26H2,1-6H3.

What are the key properties of 11,14,22,26-tetrakis(4-methylphenoxy)-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-methylphenoxy)-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 899.01 g/mol, XLogP of 14.15, 12 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-methylphenoxy)-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 101089213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).