bis(bromo-[8-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]octyl]-triphenyl-λ5-phosphane);6-bromopyridine-3-carbaldehyde;4-[5-[9-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]nonyl]-2-pyridinyl]benzonitrile;(4-cyanophenyl)boronic acid;bis(4-(5-formyl-2-pyridinyl)benzonitrile)

C136H176BBr3N8O8P2Si6 — CID 158625249

About bis(bromo-[8-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]octyl]-triphenyl-λ5-phosphane);6-bromopyridine-3-carbaldehyde;4-[5-[9-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]nonyl]-2-pyridinyl]benzonitrile;(4-cyanophenyl)boronic acid;bis(4-(5-formyl-2-pyridinyl)benzonitrile)

bis(bromo-[8-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]octyl]-triphenyl-λ5-phosphane);6-bromopyridine-3-carbaldehyde;4-[5-[9-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]nonyl]-2-pyridinyl]benzonitrile;(4-cyanophenyl)boronic acid;bis(4-(5-formyl-2-pyridinyl)benzonitrile) (PubChem CID 158625249) has the molecular formula C136H176BBr3N8O8P2Si6 and a molecular weight of 2531.94 g/mol. Its IUPAC name is bis(bromo-[8-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]octyl]-triphenyl-λ5-phosphane);6-bromopyridine-3-carbaldehyde;4-[5-[9-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]nonyl]-2-pyridinyl]benzonitrile;(4-cyanophenyl)boronic acid;bis(4-(5-formyl-2-pyridinyl)benzonitrile).

Molecular Properties

• Compound Name: bis(bromo-[8-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]octyl]-triphenyl-λ5-phosphane);6-bromopyridine-3-carbaldehyde;4-[5-[9-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]nonyl]-2-pyridinyl]benzonitrile;(4-cyanophenyl)boronic acid;bis(4-(5-formyl-2-pyridinyl)benzonitrile)
• PubChem CID: 158625249
• Molecular Formula: C136H176BBr3N8O8P2Si6
• Molecular Weight: 2531.94 g/mol
• Exact Mass: 2526.93
• IUPAC Name: bis(bromo-[8-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]octyl]-triphenyl-λ5-phosphane);6-bromopyridine-3-carbaldehyde;4-[5-[9-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]nonyl]-2-pyridinyl]benzonitrile;(4-cyanophenyl)boronic acid;bis(4-(5-formyl-2-pyridinyl)benzonitrile)
• SMILES: CCCC[Si](C)(C)O[Si](C)(C)CCCCCCCCCc1ccc(-c2ccc(C#N)cc2)nc1.CCCC[Si](C)(C)O[Si](C)(C)CCCCCCCCP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1.CCCC[Si](C)(C)O[Si](C)(C)CCCCCCCCP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1.N#Cc1ccc(-c2ccc(C=O)cn2)cc1.N#Cc1ccc(-c2ccc(C=O)cn2)cc1.N#Cc1ccc(B(O)O)cc1.O=Cc1ccc(Br)nc1
• InChI: InChI=1S/2C34H52BrOPSi2.C29H46N2OSi2.2C13H8N2O.C7H6BNO2.C6H4BrNO/c2*1-6-7-30-38(2,3)36-39(4,5)31-22-11-9-8-10-21-29-37(35,32-23-15-12-16-24-32,33-25-17-13-18-26-33)34-27-19-14-20-28-34;1-6-7-22-33(2,3)32-34(4,5)23-14-12-10-8-9-11-13-15-27-18-21-29(31-25-27)28-19-16-26(24-30)17-20-28;2*14-7-10-1-4-12(5-2-10)13-6-3-11(9-16)8-15-13;9-5-6-1-3-7(4-2-6)8(10)11;7-6-2-1-5(4-9)3-8-6/h2*12-20,23-28H,6-11,21-22,29-31H2,1-5H3;16-21,25H,6-15,22-23H2,1-5H3;2*1-6,8-9H;1-4,10-11H;1-4H
• InChIKey: HYMXBCQOGWKRNF-UHFFFAOYSA-N
• XLogP: 35.67
• TPSA: 266.08 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 56
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2531.94
LogP ≤ 5	35.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(bromo-[8-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]octyl]-triphenyl-λ5-phosphane);6-bromopyridine-3-carbaldehyde;4-[5-[9-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]nonyl]-2-pyridinyl]benzonitrile;(4-cyanophenyl)boronic acid;bis(4-(5-formyl-2-pyridinyl)benzonitrile)?

The IUPAC name of bis(bromo-[8-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]octyl]-triphenyl-λ5-phosphane);6-bromopyridine-3-carbaldehyde;4-[5-[9-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]nonyl]-2-pyridinyl]benzonitrile;(4-cyanophenyl)boronic acid;bis(4-(5-formyl-2-pyridinyl)benzonitrile) (CID 158625249) is bis(bromo-[8-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]octyl]-triphenyl-λ5-phosphane);6-bromopyridine-3-carbaldehyde;4-[5-[9-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]nonyl]-2-pyridinyl]benzonitrile;(4-cyanophenyl)boronic acid;bis(4-(5-formyl-2-pyridinyl)benzonitrile).

What is the SMILES notation for bis(bromo-[8-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]octyl]-triphenyl-λ5-phosphane);6-bromopyridine-3-carbaldehyde;4-[5-[9-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]nonyl]-2-pyridinyl]benzonitrile;(4-cyanophenyl)boronic acid;bis(4-(5-formyl-2-pyridinyl)benzonitrile)?

The canonical SMILES for bis(bromo-[8-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]octyl]-triphenyl-λ5-phosphane);6-bromopyridine-3-carbaldehyde;4-[5-[9-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]nonyl]-2-pyridinyl]benzonitrile;(4-cyanophenyl)boronic acid;bis(4-(5-formyl-2-pyridinyl)benzonitrile) is CCCC[Si](C)(C)O[Si](C)(C)CCCCCCCCCc1ccc(-c2ccc(C#N)cc2)nc1.CCCC[Si](C)(C)O[Si](C)(C)CCCCCCCCP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1.CCCC[Si](C)(C)O[Si](C)(C)CCCCCCCCP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1.N#Cc1ccc(-c2ccc(C=O)cn2)cc1.N#Cc1ccc(-c2ccc(C=O)cn2)cc1.N#Cc1ccc(B(O)O)cc1.O=Cc1ccc(Br)nc1.

What is the InChIKey of bis(bromo-[8-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]octyl]-triphenyl-λ5-phosphane);6-bromopyridine-3-carbaldehyde;4-[5-[9-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]nonyl]-2-pyridinyl]benzonitrile;(4-cyanophenyl)boronic acid;bis(4-(5-formyl-2-pyridinyl)benzonitrile)?

The InChIKey is HYMXBCQOGWKRNF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C34H52BrOPSi2.C29H46N2OSi2.2C13H8N2O.C7H6BNO2.C6H4BrNO/c2*1-6-7-30-38(2,3)36-39(4,5)31-22-11-9-8-10-21-29-37(35,32-23-15-12-16-24-32,33-25-17-13-18-26-33)34-27-19-14-20-28-34;1-6-7-22-33(2,3)32-34(4,5)23-14-12-10-8-9-11-13-15-27-18-21-29(31-25-27)28-19-16-26(24-30)17-20-28;2*14-7-10-1-4-12(5-2-10)13-6-3-11(9-16)8-15-13;9-5-6-1-3-7(4-2-6)8(10)11;7-6-2-1-5(4-9)3-8-6/h2*12-20,23-28H,6-11,21-22,29-31H2,1-5H3;16-21,25H,6-15,22-23H2,1-5H3;2*1-6,8-9H;1-4,10-11H;1-4H.

What are the key properties of bis(bromo-[8-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]octyl]-triphenyl-λ5-phosphane);6-bromopyridine-3-carbaldehyde;4-[5-[9-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]nonyl]-2-pyridinyl]benzonitrile;(4-cyanophenyl)boronic acid;bis(4-(5-formyl-2-pyridinyl)benzonitrile)?

bis(bromo-[8-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]octyl]-triphenyl-λ5-phosphane);6-bromopyridine-3-carbaldehyde;4-[5-[9-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]nonyl]-2-pyridinyl]benzonitrile;(4-cyanophenyl)boronic acid;bis(4-(5-formyl-2-pyridinyl)benzonitrile) has a molecular weight of 2531.94 g/mol, XLogP of 35.67, 56 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for bis(bromo-[8-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]octyl]-triphenyl-λ5-phosphane);6-bromopyridine-3-carbaldehyde;4-[5-[9-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]nonyl]-2-pyridinyl]benzonitrile;(4-cyanophenyl)boronic acid;bis(4-(5-formyl-2-pyridinyl)benzonitrile) is sourced from PubChem (CID 158625249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).