1-phenyl-8,14,22-tris(4-phenylphenyl)-8,14,22-triaza-1-silahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene

C60H41N3Si — CID 140849548

About 1-phenyl-8,14,22-tris(4-phenylphenyl)-8,14,22-triaza-1-silahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene

1-phenyl-8,14,22-tris(4-phenylphenyl)-8,14,22-triaza-1-silahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene (PubChem CID 140849548) has the molecular formula C60H41N3Si and a molecular weight of 832.10 g/mol. Its IUPAC name is 1-phenyl-8,14,22-tris(4-phenylphenyl)-8,14,22-triaza-1-silahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene.

Molecular Properties

• Compound Name: 1-phenyl-8,14,22-tris(4-phenylphenyl)-8,14,22-triaza-1-silahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene
• PubChem CID: 140849548
• Molecular Formula: C60H41N3Si
• Molecular Weight: 832.10 g/mol
• Exact Mass: 831.31
• IUPAC Name: 1-phenyl-8,14,22-tris(4-phenylphenyl)-8,14,22-triaza-1-silahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene
• SMILES: c1ccc(-c2ccc(N3c4cccc5c4[Si]4(c6ccccc6)c6c3cccc6N(c3ccc(-c6ccccc6)cc3)c3cccc(c34)N5c3ccc(-c4ccccc4)cc3)cc2)cc1
• InChI: InChI=1S/C60H41N3Si/c1-5-16-42(17-6-1)45-30-36-48(37-31-45)61-52-24-13-26-54-58(52)64(51-22-11-4-12-23-51)59-53(61)25-14-27-55(59)63(50-40-34-47(35-41-50)44-20-9-3-10-21-44)57-29-15-28-56(60(57)64)62(54)49-38-32-46(33-39-49)43-18-7-2-8-19-43/h1-41H
• InChIKey: BAOJSXAQRTWTEQ-UHFFFAOYSA-N
• XLogP: 13.41
• TPSA: 9.72 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	832.10
LogP ≤ 5	13.41
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 1-phenyl-8,14,22-tris(4-phenylphenyl)-8,14,22-triaza-1-silahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene?

The IUPAC name of 1-phenyl-8,14,22-tris(4-phenylphenyl)-8,14,22-triaza-1-silahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene (CID 140849548) is 1-phenyl-8,14,22-tris(4-phenylphenyl)-8,14,22-triaza-1-silahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene.

What is the SMILES notation for 1-phenyl-8,14,22-tris(4-phenylphenyl)-8,14,22-triaza-1-silahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene?

The canonical SMILES for 1-phenyl-8,14,22-tris(4-phenylphenyl)-8,14,22-triaza-1-silahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene is c1ccc(-c2ccc(N3c4cccc5c4[Si]4(c6ccccc6)c6c3cccc6N(c3ccc(-c6ccccc6)cc3)c3cccc(c34)N5c3ccc(-c4ccccc4)cc3)cc2)cc1.

What is the InChIKey of 1-phenyl-8,14,22-tris(4-phenylphenyl)-8,14,22-triaza-1-silahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene?

The InChIKey is BAOJSXAQRTWTEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H41N3Si/c1-5-16-42(17-6-1)45-30-36-48(37-31-45)61-52-24-13-26-54-58(52)64(51-22-11-4-12-23-51)59-53(61)25-14-27-55(59)63(50-40-34-47(35-41-50)44-20-9-3-10-21-44)57-29-15-28-56(60(57)64)62(54)49-38-32-46(33-39-49)43-18-7-2-8-19-43/h1-41H.

What are the key properties of 1-phenyl-8,14,22-tris(4-phenylphenyl)-8,14,22-triaza-1-silahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene?

1-phenyl-8,14,22-tris(4-phenylphenyl)-8,14,22-triaza-1-silahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene has a molecular weight of 832.10 g/mol, XLogP of 13.41, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-phenyl-8,14,22-tris(4-phenylphenyl)-8,14,22-triaza-1-silahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene is sourced from PubChem (CID 140849548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).