[8,14-bis(2-pyridin-2-ylphenyl)-18-trimethylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-4-yl]-trimethylsilane

C46H43BN4Si2 — CID 158611777

About [8,14-bis(2-pyridin-2-ylphenyl)-18-trimethylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-4-yl]-trimethylsilane

[8,14-bis(2-pyridin-2-ylphenyl)-18-trimethylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-4-yl]-trimethylsilane (PubChem CID 158611777) has the molecular formula C46H43BN4Si2 and a molecular weight of 718.86 g/mol. Its IUPAC name is [8,14-bis(2-pyridin-2-ylphenyl)-18-trimethylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-4-yl]-trimethylsilane.

Molecular Properties

• Compound Name: [8,14-bis(2-pyridin-2-ylphenyl)-18-trimethylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-4-yl]-trimethylsilane
• PubChem CID: 158611777
• Molecular Formula: C46H43BN4Si2
• Molecular Weight: 718.86 g/mol
• Exact Mass: 718.31
• IUPAC Name: [8,14-bis(2-pyridin-2-ylphenyl)-18-trimethylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-4-yl]-trimethylsilane
• SMILES: C[Si](C)(C)c1ccc2c(c1)B1c3cc([Si](C)(C)C)ccc3N(c3ccccc3-c3ccccn3)c3cccc(c31)N2c1ccccc1-c1ccccn1
• InChI: InChI=1S/C46H43BN4Si2/c1-52(2,3)32-24-26-42-36(30-32)47-37-31-33(53(4,5)6)25-27-43(37)51(41-21-10-8-17-35(41)39-19-12-14-29-49-39)45-23-15-22-44(46(45)47)50(42)40-20-9-7-16-34(40)38-18-11-13-28-48-38/h7-31H,1-6H3
• InChIKey: ZXKYOUMCXVFDRU-UHFFFAOYSA-N
• XLogP: 8.98
• TPSA: 32.26 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	718.86
LogP ≤ 5	8.98
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 [8,14-bis(2-pyridin-2-ylphenyl)-18-trimethylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-4-yl]-trimethylsilane?

The IUPAC name of [8,14-bis(2-pyridin-2-ylphenyl)-18-trimethylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-4-yl]-trimethylsilane (CID 158611777) is [8,14-bis(2-pyridin-2-ylphenyl)-18-trimethylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-4-yl]-trimethylsilane.

What is the SMILES notation for [8,14-bis(2-pyridin-2-ylphenyl)-18-trimethylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-4-yl]-trimethylsilane?

The canonical SMILES for [8,14-bis(2-pyridin-2-ylphenyl)-18-trimethylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-4-yl]-trimethylsilane is C[Si](C)(C)c1ccc2c(c1)B1c3cc([Si](C)(C)C)ccc3N(c3ccccc3-c3ccccn3)c3cccc(c31)N2c1ccccc1-c1ccccn1.

What is the InChIKey of [8,14-bis(2-pyridin-2-ylphenyl)-18-trimethylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-4-yl]-trimethylsilane?

The InChIKey is ZXKYOUMCXVFDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H43BN4Si2/c1-52(2,3)32-24-26-42-36(30-32)47-37-31-33(53(4,5)6)25-27-43(37)51(41-21-10-8-17-35(41)39-19-12-14-29-49-39)45-23-15-22-44(46(45)47)50(42)40-20-9-7-16-34(40)38-18-11-13-28-48-38/h7-31H,1-6H3.

What are the key properties of [8,14-bis(2-pyridin-2-ylphenyl)-18-trimethylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-4-yl]-trimethylsilane?

[8,14-bis(2-pyridin-2-ylphenyl)-18-trimethylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-4-yl]-trimethylsilane has a molecular weight of 718.86 g/mol, XLogP of 8.98, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [8,14-bis(2-pyridin-2-ylphenyl)-18-trimethylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-4-yl]-trimethylsilane is sourced from PubChem (CID 158611777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).