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

C98H112BBr2N8O5PSi2 — CID 158371497

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

bromo-[8-[butyl(dimethyl)silyl]octyl]-triphenyl-λ5-phosphane;6-bromopyridine-3-carbaldehyde;4-[5-[9-[butyl(dimethyl)silyl]nonyl]-2-pyridinyl]benzonitrile;(4-cyanophenyl)boronic acid;bis(4-(5-formyl-2-pyridinyl)benzonitrile) (PubChem CID 158371497) has the molecular formula C98H112BBr2N8O5PSi2 and a molecular weight of 1739.79 g/mol. Its IUPAC name is bromo-[8-[butyl(dimethyl)silyl]octyl]-triphenyl-λ5-phosphane;6-bromopyridine-3-carbaldehyde;4-[5-[9-[butyl(dimethyl)silyl]nonyl]-2-pyridinyl]benzonitrile;(4-cyanophenyl)boronic acid;bis(4-(5-formyl-2-pyridinyl)benzonitrile).

Molecular Properties

• Compound Name: bromo-[8-[butyl(dimethyl)silyl]octyl]-triphenyl-λ5-phosphane;6-bromopyridine-3-carbaldehyde;4-[5-[9-[butyl(dimethyl)silyl]nonyl]-2-pyridinyl]benzonitrile;(4-cyanophenyl)boronic acid;bis(4-(5-formyl-2-pyridinyl)benzonitrile)
• PubChem CID: 158371497
• Molecular Formula: C98H112BBr2N8O5PSi2
• Molecular Weight: 1739.79 g/mol
• Exact Mass: 1736.65
• IUPAC Name: bromo-[8-[butyl(dimethyl)silyl]octyl]-triphenyl-λ5-phosphane;6-bromopyridine-3-carbaldehyde;4-[5-[9-[butyl(dimethyl)silyl]nonyl]-2-pyridinyl]benzonitrile;(4-cyanophenyl)boronic acid;bis(4-(5-formyl-2-pyridinyl)benzonitrile)
• SMILES: CCCC[Si](C)(C)CCCCCCCCCc1ccc(-c2ccc(C#N)cc2)nc1.CCCC[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/C32H46BrPSi.C27H40N2Si.2C13H8N2O.C7H6BNO2.C6H4BrNO/c1-4-5-28-35(2,3)29-20-9-7-6-8-19-27-34(33,30-21-13-10-14-22-30,31-23-15-11-16-24-31)32-25-17-12-18-26-32;1-4-5-20-30(2,3)21-12-10-8-6-7-9-11-13-25-16-19-27(29-23-25)26-17-14-24(22-28)15-18-26;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/h10-18,21-26H,4-9,19-20,27-29H2,1-3H3;14-19,23H,4-13,20-21H2,1-3H3;2*1-6,8-9H;1-4,10-11H;1-4H
• InChIKey: GURADDPVZQXDRN-UHFFFAOYSA-N
• XLogP: 23.84
• TPSA: 238.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 35
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1739.79
LogP ≤ 5	23.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

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

The IUPAC name of bromo-[8-[butyl(dimethyl)silyl]octyl]-triphenyl-λ5-phosphane;6-bromopyridine-3-carbaldehyde;4-[5-[9-[butyl(dimethyl)silyl]nonyl]-2-pyridinyl]benzonitrile;(4-cyanophenyl)boronic acid;bis(4-(5-formyl-2-pyridinyl)benzonitrile) (CID 158371497) is bromo-[8-[butyl(dimethyl)silyl]octyl]-triphenyl-λ5-phosphane;6-bromopyridine-3-carbaldehyde;4-[5-[9-[butyl(dimethyl)silyl]nonyl]-2-pyridinyl]benzonitrile;(4-cyanophenyl)boronic acid;bis(4-(5-formyl-2-pyridinyl)benzonitrile).

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

The canonical SMILES for bromo-[8-[butyl(dimethyl)silyl]octyl]-triphenyl-λ5-phosphane;6-bromopyridine-3-carbaldehyde;4-[5-[9-[butyl(dimethyl)silyl]nonyl]-2-pyridinyl]benzonitrile;(4-cyanophenyl)boronic acid;bis(4-(5-formyl-2-pyridinyl)benzonitrile) is CCCC[Si](C)(C)CCCCCCCCCc1ccc(-c2ccc(C#N)cc2)nc1.CCCC[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 bromo-[8-[butyl(dimethyl)silyl]octyl]-triphenyl-λ5-phosphane;6-bromopyridine-3-carbaldehyde;4-[5-[9-[butyl(dimethyl)silyl]nonyl]-2-pyridinyl]benzonitrile;(4-cyanophenyl)boronic acid;bis(4-(5-formyl-2-pyridinyl)benzonitrile)?

The InChIKey is GURADDPVZQXDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H46BrPSi.C27H40N2Si.2C13H8N2O.C7H6BNO2.C6H4BrNO/c1-4-5-28-35(2,3)29-20-9-7-6-8-19-27-34(33,30-21-13-10-14-22-30,31-23-15-11-16-24-31)32-25-17-12-18-26-32;1-4-5-20-30(2,3)21-12-10-8-6-7-9-11-13-25-16-19-27(29-23-25)26-17-14-24(22-28)15-18-26;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/h10-18,21-26H,4-9,19-20,27-29H2,1-3H3;14-19,23H,4-13,20-21H2,1-3H3;2*1-6,8-9H;1-4,10-11H;1-4H.

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

bromo-[8-[butyl(dimethyl)silyl]octyl]-triphenyl-λ5-phosphane;6-bromopyridine-3-carbaldehyde;4-[5-[9-[butyl(dimethyl)silyl]nonyl]-2-pyridinyl]benzonitrile;(4-cyanophenyl)boronic acid;bis(4-(5-formyl-2-pyridinyl)benzonitrile) has a molecular weight of 1739.79 g/mol, XLogP of 23.84, 35 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for bromo-[8-[butyl(dimethyl)silyl]octyl]-triphenyl-λ5-phosphane;6-bromopyridine-3-carbaldehyde;4-[5-[9-[butyl(dimethyl)silyl]nonyl]-2-pyridinyl]benzonitrile;(4-cyanophenyl)boronic acid;bis(4-(5-formyl-2-pyridinyl)benzonitrile) is sourced from PubChem (CID 158371497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).