5,11-ditert-butyl-8,14,22-tris(4-tert-butylphenyl)-17-carbazol-9-yl-8,14,22-triaza-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene 1-oxide

C68H71N4OP — CID 134317296

About 5,11-ditert-butyl-8,14,22-tris(4-tert-butylphenyl)-17-carbazol-9-yl-8,14,22-triaza-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene 1-oxide

5,11-ditert-butyl-8,14,22-tris(4-tert-butylphenyl)-17-carbazol-9-yl-8,14,22-triaza-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene 1-oxide (PubChem CID 134317296) has the molecular formula C68H71N4OP and a molecular weight of 991.32 g/mol. Its IUPAC name is 5,11-ditert-butyl-8,14,22-tris(4-tert-butylphenyl)-17-carbazol-9-yl-8,14,22-triaza-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene 1-oxide.

Molecular Properties

• Compound Name: 5,11-ditert-butyl-8,14,22-tris(4-tert-butylphenyl)-17-carbazol-9-yl-8,14,22-triaza-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene 1-oxide
• PubChem CID: 134317296
• Molecular Formula: C68H71N4OP
• Molecular Weight: 991.32 g/mol
• Exact Mass: 990.54
• IUPAC Name: 5,11-ditert-butyl-8,14,22-tris(4-tert-butylphenyl)-17-carbazol-9-yl-8,14,22-triaza-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene 1-oxide
• SMILES: CC(C)(C)c1ccc(N2c3cc(-n4c5ccccc5c5ccccc54)cc4c3P3(=O)c5c2cc(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/C68H71N4OP/c1-64(2,3)42-24-30-47(31-25-42)69-55-36-45(67(10,11)12)38-57-61(55)74(73)62-56(69)37-46(68(13,14)15)39-58(62)71(49-34-28-44(29-35-49)66(7,8)9)60-41-50(72-53-22-18-16-20-51(53)52-21-17-19-23-54(52)72)40-59(63(60)74)70(57)48-32-26-43(27-33-48)65(4,5)6/h16-41H,1-15H3
• InChIKey: KRAAVVRKPQZAKY-UHFFFAOYSA-N
• XLogP: 18.26
• TPSA: 31.72 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	991.32
LogP ≤ 5	18.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5,11-ditert-butyl-8,14,22-tris(4-tert-butylphenyl)-17-carbazol-9-yl-8,14,22-triaza-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene 1-oxide?

The IUPAC name of 5,11-ditert-butyl-8,14,22-tris(4-tert-butylphenyl)-17-carbazol-9-yl-8,14,22-triaza-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene 1-oxide (CID 134317296) is 5,11-ditert-butyl-8,14,22-tris(4-tert-butylphenyl)-17-carbazol-9-yl-8,14,22-triaza-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene 1-oxide.

What is the SMILES notation for 5,11-ditert-butyl-8,14,22-tris(4-tert-butylphenyl)-17-carbazol-9-yl-8,14,22-triaza-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene 1-oxide?

The canonical SMILES for 5,11-ditert-butyl-8,14,22-tris(4-tert-butylphenyl)-17-carbazol-9-yl-8,14,22-triaza-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene 1-oxide is CC(C)(C)c1ccc(N2c3cc(-n4c5ccccc5c5ccccc54)cc4c3P3(=O)c5c2cc(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-ditert-butyl-8,14,22-tris(4-tert-butylphenyl)-17-carbazol-9-yl-8,14,22-triaza-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene 1-oxide?

The InChIKey is KRAAVVRKPQZAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H71N4OP/c1-64(2,3)42-24-30-47(31-25-42)69-55-36-45(67(10,11)12)38-57-61(55)74(73)62-56(69)37-46(68(13,14)15)39-58(62)71(49-34-28-44(29-35-49)66(7,8)9)60-41-50(72-53-22-18-16-20-51(53)52-21-17-19-23-54(52)72)40-59(63(60)74)70(57)48-32-26-43(27-33-48)65(4,5)6/h16-41H,1-15H3.

What are the key properties of 5,11-ditert-butyl-8,14,22-tris(4-tert-butylphenyl)-17-carbazol-9-yl-8,14,22-triaza-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene 1-oxide?

5,11-ditert-butyl-8,14,22-tris(4-tert-butylphenyl)-17-carbazol-9-yl-8,14,22-triaza-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene 1-oxide has a molecular weight of 991.32 g/mol, XLogP of 18.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5,11-ditert-butyl-8,14,22-tris(4-tert-butylphenyl)-17-carbazol-9-yl-8,14,22-triaza-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene 1-oxide is sourced from PubChem (CID 134317296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).