8,8,14,14-tetraphenyl-8,14-disila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene

C42H31BSi2 — CID 162507253

About 8,8,14,14-tetraphenyl-8,14-disila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene

8,8,14,14-tetraphenyl-8,14-disila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene (PubChem CID 162507253) has the molecular formula C42H31BSi2 and a molecular weight of 602.69 g/mol. Its IUPAC name is 8,8,14,14-tetraphenyl-8,14-disila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene.

Molecular Properties

• Compound Name: 8,8,14,14-tetraphenyl-8,14-disila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene
• PubChem CID: 162507253
• Molecular Formula: C42H31BSi2
• Molecular Weight: 602.69 g/mol
• Exact Mass: 602.21
• IUPAC Name: 8,8,14,14-tetraphenyl-8,14-disila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene
• SMILES: c1ccc([Si]2(c3ccccc3)c3ccccc3B3c4ccccc4[Si](c4ccccc4)(c4ccccc4)c4cccc2c43)cc1
• InChI: InChI=1S/C42H31BSi2/c1-5-18-32(19-6-1)44(33-20-7-2-8-21-33)38-28-15-13-26-36(38)43-37-27-14-16-29-39(37)45(34-22-9-3-10-23-34,35-24-11-4-12-25-35)41-31-17-30-40(44)42(41)43/h1-31H
• InChIKey: SKYPZNUFECUVHF-UHFFFAOYSA-N
• XLogP: 1.58
• TPSA: 0.00 Ų
• Rotatable Bonds: 4
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	602.69
LogP ≤ 5	1.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8,8,14,14-tetraphenyl-8,14-disila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene?

The IUPAC name of 8,8,14,14-tetraphenyl-8,14-disila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene (CID 162507253) is 8,8,14,14-tetraphenyl-8,14-disila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene.

What is the SMILES notation for 8,8,14,14-tetraphenyl-8,14-disila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene?

The canonical SMILES for 8,8,14,14-tetraphenyl-8,14-disila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene is c1ccc([Si]2(c3ccccc3)c3ccccc3B3c4ccccc4[Si](c4ccccc4)(c4ccccc4)c4cccc2c43)cc1.

What is the InChIKey of 8,8,14,14-tetraphenyl-8,14-disila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene?

The InChIKey is SKYPZNUFECUVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H31BSi2/c1-5-18-32(19-6-1)44(33-20-7-2-8-21-33)38-28-15-13-26-36(38)43-37-27-14-16-29-39(37)45(34-22-9-3-10-23-34,35-24-11-4-12-25-35)41-31-17-30-40(44)42(41)43/h1-31H.

What are the key properties of 8,8,14,14-tetraphenyl-8,14-disila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene?

8,8,14,14-tetraphenyl-8,14-disila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene has a molecular weight of 602.69 g/mol, XLogP of 1.58, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 8,8,14,14-tetraphenyl-8,14-disila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene is sourced from PubChem (CID 162507253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).