5,11-ditert-butyl-8,14,22-tris(4-tert-butylphenyl)-17-carbazol-9-yl-1-phenyl-8,14,22-triaza-1-silahexacyclo[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

C74H76N4Si — CID 140848957

About 5,11-ditert-butyl-8,14,22-tris(4-tert-butylphenyl)-17-carbazol-9-yl-1-phenyl-8,14,22-triaza-1-silahexacyclo[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

5,11-ditert-butyl-8,14,22-tris(4-tert-butylphenyl)-17-carbazol-9-yl-1-phenyl-8,14,22-triaza-1-silahexacyclo[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 (PubChem CID 140848957) has the molecular formula C74H76N4Si and a molecular weight of 1049.54 g/mol. Its IUPAC name is 5,11-ditert-butyl-8,14,22-tris(4-tert-butylphenyl)-17-carbazol-9-yl-1-phenyl-8,14,22-triaza-1-silahexacyclo[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.

Molecular Properties

• Compound Name: 5,11-ditert-butyl-8,14,22-tris(4-tert-butylphenyl)-17-carbazol-9-yl-1-phenyl-8,14,22-triaza-1-silahexacyclo[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
• PubChem CID: 140848957
• Molecular Formula: C74H76N4Si
• Molecular Weight: 1049.54 g/mol
• Exact Mass: 1048.58
• IUPAC Name: 5,11-ditert-butyl-8,14,22-tris(4-tert-butylphenyl)-17-carbazol-9-yl-1-phenyl-8,14,22-triaza-1-silahexacyclo[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
• SMILES: CC(C)(C)c1ccc(N2c3cc(-n4c5ccccc5c5ccccc54)cc4c3[Si]3(c5ccccc5)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/C74H76N4Si/c1-70(2,3)47-29-35-52(36-30-47)75-61-41-50(73(10,11)12)43-63-67(61)79(56-23-17-16-18-24-56)68-62(75)42-51(74(13,14)15)44-64(68)77(54-39-33-49(34-40-54)72(7,8)9)66-46-55(78-59-27-21-19-25-57(59)58-26-20-22-28-60(58)78)45-65(69(66)79)76(63)53-37-31-48(32-38-53)71(4,5)6/h16-46H,1-15H3
• InChIKey: DKUWHUNSARDPHY-UHFFFAOYSA-N
• XLogP: 18.00
• TPSA: 14.65 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1049.54
LogP ≤ 5	18.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', '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-1-phenyl-8,14,22-triaza-1-silahexacyclo[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?

The IUPAC name of 5,11-ditert-butyl-8,14,22-tris(4-tert-butylphenyl)-17-carbazol-9-yl-1-phenyl-8,14,22-triaza-1-silahexacyclo[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 (CID 140848957) is 5,11-ditert-butyl-8,14,22-tris(4-tert-butylphenyl)-17-carbazol-9-yl-1-phenyl-8,14,22-triaza-1-silahexacyclo[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.

What is the SMILES notation for 5,11-ditert-butyl-8,14,22-tris(4-tert-butylphenyl)-17-carbazol-9-yl-1-phenyl-8,14,22-triaza-1-silahexacyclo[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?

The canonical SMILES for 5,11-ditert-butyl-8,14,22-tris(4-tert-butylphenyl)-17-carbazol-9-yl-1-phenyl-8,14,22-triaza-1-silahexacyclo[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 is CC(C)(C)c1ccc(N2c3cc(-n4c5ccccc5c5ccccc54)cc4c3[Si]3(c5ccccc5)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-1-phenyl-8,14,22-triaza-1-silahexacyclo[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?

The InChIKey is DKUWHUNSARDPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H76N4Si/c1-70(2,3)47-29-35-52(36-30-47)75-61-41-50(73(10,11)12)43-63-67(61)79(56-23-17-16-18-24-56)68-62(75)42-51(74(13,14)15)44-64(68)77(54-39-33-49(34-40-54)72(7,8)9)66-46-55(78-59-27-21-19-25-57(59)58-26-20-22-28-60(58)78)45-65(69(66)79)76(63)53-37-31-48(32-38-53)71(4,5)6/h16-46H,1-15H3.

What are the key properties of 5,11-ditert-butyl-8,14,22-tris(4-tert-butylphenyl)-17-carbazol-9-yl-1-phenyl-8,14,22-triaza-1-silahexacyclo[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?

5,11-ditert-butyl-8,14,22-tris(4-tert-butylphenyl)-17-carbazol-9-yl-1-phenyl-8,14,22-triaza-1-silahexacyclo[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 has a molecular weight of 1049.54 g/mol, XLogP of 18.00, 5 rotatable bonds, 0 hydrogen bond donors, and 4 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-1-phenyl-8,14,22-triaza-1-silahexacyclo[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 is sourced from PubChem (CID 140848957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).