11,22-bis(4-tert-butylphenoxy)-7,18-bis(3-triethoxysilylpropyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,8,17,19-tetrone

C62H74N2O12Si2 — CID 15869296

About 11,22-bis(4-tert-butylphenoxy)-7,18-bis(3-triethoxysilylpropyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,8,17,19-tetrone

11,22-bis(4-tert-butylphenoxy)-7,18-bis(3-triethoxysilylpropyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,8,17,19-tetrone (PubChem CID 15869296) has the molecular formula C62H74N2O12Si2 and a molecular weight of 1095.45 g/mol. Its IUPAC name is 11,22-bis(4-tert-butylphenoxy)-7,18-bis(3-triethoxysilylpropyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,8,17,19-tetrone.

Molecular Properties

• Compound Name: 11,22-bis(4-tert-butylphenoxy)-7,18-bis(3-triethoxysilylpropyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,8,17,19-tetrone
• PubChem CID: 15869296
• Molecular Formula: C62H74N2O12Si2
• Molecular Weight: 1095.45 g/mol
• Exact Mass: 1094.48
• IUPAC Name: 11,22-bis(4-tert-butylphenoxy)-7,18-bis(3-triethoxysilylpropyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,8,17,19-tetrone
• SMILES: CCO[Si](CCCN1C(=O)c2ccc3c4c(Oc5ccc(C(C)(C)C)cc5)cc5c6c(ccc(c7c(Oc8ccc(C(C)(C)C)cc8)cc(c2c37)C1=O)c64)C(=O)N(CCC[Si](OCC)(OCC)OCC)C5=O)(OCC)OCC
• InChI: InChI=1S/C62H74N2O12Si2/c1-13-69-77(70-14-2,71-15-3)35-19-33-63-57(65)45-31-29-43-54-50(76-42-27-23-40(24-28-42)62(10,11)12)38-48-52-46(58(66)64(60(48)68)34-20-36-78(72-16-4,73-17-5)74-18-6)32-30-44(56(52)54)53-49(37-47(59(63)67)51(45)55(43)53)75-41-25-21-39(22-26-41)61(7,8)9/h21-32,37-38H,13-20,33-36H2,1-12H3
• InChIKey: MDERWHPTDAHSTK-UHFFFAOYSA-N
• XLogP: 13.99
• TPSA: 148.60 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 24
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1095.45
LogP ≤ 5	13.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', '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 11,22-bis(4-tert-butylphenoxy)-7,18-bis(3-triethoxysilylpropyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,8,17,19-tetrone?

The IUPAC name of 11,22-bis(4-tert-butylphenoxy)-7,18-bis(3-triethoxysilylpropyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,8,17,19-tetrone (CID 15869296) is 11,22-bis(4-tert-butylphenoxy)-7,18-bis(3-triethoxysilylpropyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,8,17,19-tetrone.

What is the SMILES notation for 11,22-bis(4-tert-butylphenoxy)-7,18-bis(3-triethoxysilylpropyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,8,17,19-tetrone?

The canonical SMILES for 11,22-bis(4-tert-butylphenoxy)-7,18-bis(3-triethoxysilylpropyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,8,17,19-tetrone is CCO[Si](CCCN1C(=O)c2ccc3c4c(Oc5ccc(C(C)(C)C)cc5)cc5c6c(ccc(c7c(Oc8ccc(C(C)(C)C)cc8)cc(c2c37)C1=O)c64)C(=O)N(CCC[Si](OCC)(OCC)OCC)C5=O)(OCC)OCC.

What is the InChIKey of 11,22-bis(4-tert-butylphenoxy)-7,18-bis(3-triethoxysilylpropyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,8,17,19-tetrone?

The InChIKey is MDERWHPTDAHSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H74N2O12Si2/c1-13-69-77(70-14-2,71-15-3)35-19-33-63-57(65)45-31-29-43-54-50(76-42-27-23-40(24-28-42)62(10,11)12)38-48-52-46(58(66)64(60(48)68)34-20-36-78(72-16-4,73-17-5)74-18-6)32-30-44(56(52)54)53-49(37-47(59(63)67)51(45)55(43)53)75-41-25-21-39(22-26-41)61(7,8)9/h21-32,37-38H,13-20,33-36H2,1-12H3.

What are the key properties of 11,22-bis(4-tert-butylphenoxy)-7,18-bis(3-triethoxysilylpropyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,8,17,19-tetrone?

11,22-bis(4-tert-butylphenoxy)-7,18-bis(3-triethoxysilylpropyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,8,17,19-tetrone has a molecular weight of 1095.45 g/mol, XLogP of 13.99, 24 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 11,22-bis(4-tert-butylphenoxy)-7,18-bis(3-triethoxysilylpropyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,8,17,19-tetrone is sourced from PubChem (CID 15869296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).