5,11,17-tritert-butyl-8,14,22-tris(4-tert-butylphenyl)-8,14,22-triaza-1-stibahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene

C60H72N3Sb — CID 140848919

About 5,11,17-tritert-butyl-8,14,22-tris(4-tert-butylphenyl)-8,14,22-triaza-1-stibahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene

5,11,17-tritert-butyl-8,14,22-tris(4-tert-butylphenyl)-8,14,22-triaza-1-stibahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene (PubChem CID 140848919) has the molecular formula C60H72N3Sb and a molecular weight of 957.02 g/mol. Its IUPAC name is 5,11,17-tritert-butyl-8,14,22-tris(4-tert-butylphenyl)-8,14,22-triaza-1-stibahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene.

Molecular Properties

• Compound Name: 5,11,17-tritert-butyl-8,14,22-tris(4-tert-butylphenyl)-8,14,22-triaza-1-stibahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene
• PubChem CID: 140848919
• Molecular Formula: C60H72N3Sb
• Molecular Weight: 957.02 g/mol
• Exact Mass: 955.48
• IUPAC Name: 5,11,17-tritert-butyl-8,14,22-tris(4-tert-butylphenyl)-8,14,22-triaza-1-stibahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene
• SMILES: CC(C)(C)c1ccc(N2c3cc(C(C)(C)C)cc4c3[Sb]3c5c2cc(C(C)(C)C)cc5N(c2ccc(C(C)(C)C)cc2)c2cc(C(C)(C)C)cc(c23)N4c2ccc(C(C)(C)C)cc2)cc1
• InChI: InChI=1S/C60H72N3.Sb/c1-55(2,3)40-19-25-46(26-20-40)61-49-31-43(58(10,11)12)33-51(37-49)62(47-27-21-41(22-28-47)56(4,5)6)53-35-45(60(16,17)18)36-54(39-53)63(48-29-23-42(24-30-48)57(7,8)9)52-34-44(59(13,14)15)32-50(61)38-52;/h19-36H,1-18H3
• InChIKey: ZNAYQENIABYMBU-UHFFFAOYSA-N
• XLogP: 15.34
• TPSA: 9.72 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	957.02
LogP ≤ 5	15.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5,11,17-tritert-butyl-8,14,22-tris(4-tert-butylphenyl)-8,14,22-triaza-1-stibahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene?

The IUPAC name of 5,11,17-tritert-butyl-8,14,22-tris(4-tert-butylphenyl)-8,14,22-triaza-1-stibahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene (CID 140848919) is 5,11,17-tritert-butyl-8,14,22-tris(4-tert-butylphenyl)-8,14,22-triaza-1-stibahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene.

What is the SMILES notation for 5,11,17-tritert-butyl-8,14,22-tris(4-tert-butylphenyl)-8,14,22-triaza-1-stibahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene?

The canonical SMILES for 5,11,17-tritert-butyl-8,14,22-tris(4-tert-butylphenyl)-8,14,22-triaza-1-stibahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene is CC(C)(C)c1ccc(N2c3cc(C(C)(C)C)cc4c3[Sb]3c5c2cc(C(C)(C)C)cc5N(c2ccc(C(C)(C)C)cc2)c2cc(C(C)(C)C)cc(c23)N4c2ccc(C(C)(C)C)cc2)cc1.

What is the InChIKey of 5,11,17-tritert-butyl-8,14,22-tris(4-tert-butylphenyl)-8,14,22-triaza-1-stibahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene?

The InChIKey is ZNAYQENIABYMBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H72N3.Sb/c1-55(2,3)40-19-25-46(26-20-40)61-49-31-43(58(10,11)12)33-51(37-49)62(47-27-21-41(22-28-47)56(4,5)6)53-35-45(60(16,17)18)36-54(39-53)63(48-29-23-42(24-30-48)57(7,8)9)52-34-44(59(13,14)15)32-50(61)38-52;/h19-36H,1-18H3;.

What are the key properties of 5,11,17-tritert-butyl-8,14,22-tris(4-tert-butylphenyl)-8,14,22-triaza-1-stibahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene?

5,11,17-tritert-butyl-8,14,22-tris(4-tert-butylphenyl)-8,14,22-triaza-1-stibahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene has a molecular weight of 957.02 g/mol, XLogP of 15.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5,11,17-tritert-butyl-8,14,22-tris(4-tert-butylphenyl)-8,14,22-triaza-1-stibahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene is sourced from PubChem (CID 140848919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).