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

C96H112BBr2N8O7PSi4 — CID 157464061

IUPACbromo-[8-[dimethyl(trimethylsilyloxy)silyl]octyl]-triphenyl-λ5-phosphane;6-bromopyridine-3-carbaldehyde;(4-cyanophenyl)boronic acid;4-[5-[9-[dimethyl(trimethylsilyloxy)silyl]nonyl]-2-pyridinyl]benzonitrile;bis(4-(5-formyl-2-pyridinyl)benzonitrile)
SMILESC[Si](C)(C)O[Si](C)(C)CCCCCCCCCc1ccc(-c2ccc(C#N)cc2)nc1.C[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
InChIInChI=1S/C31H46BrOPSi2.C26H40N2OSi2.2C13H8N2O.C7H6BNO2.C6H4BrNO/c1-35(2,3)33-36(4,5)28-20-9-7-6-8-19-27-34(32,29-21-13-10-14-22-29,30-23-15-11-16-24-30)31-25-17-12-18-26-31;1-30(2,3)29-31(4,5)20-12-10-8-6-7-9-11-13-24-16-19-26(28-22-24)25-17-14-23(21-27)15-18-25;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,6-9,19-20,27-28H2,1-5H3;14-19,22H,6-13,20H2,1-5H3;2*1-6,8-9H;1-4,10-11H;1-4H
InChIKeyBUGNNDYQVSTDLN-UHFFFAOYSA-N
MW1803.94 g/mol
LogP22.93
Rot. Bonds33

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

bromo-[8-[dimethyl(trimethylsilyloxy)silyl]octyl]-triphenyl-λ5-phosphane;6-bromopyridine-3-carbaldehyde;(4-cyanophenyl)boronic acid;4-[5-[9-[dimethyl(trimethylsilyloxy)silyl]nonyl]-2-pyridinyl]benzonitrile;bis(4-(5-formyl-2-pyridinyl)benzonitrile) (PubChem CID 157464061) has the molecular formula C96H112BBr2N8O7PSi4 and a molecular weight of 1803.94 g/mol. Its IUPAC name is bromo-[8-[dimethyl(trimethylsilyloxy)silyl]octyl]-triphenyl-λ5-phosphane;6-bromopyridine-3-carbaldehyde;(4-cyanophenyl)boronic acid;4-[5-[9-[dimethyl(trimethylsilyloxy)silyl]nonyl]-2-pyridinyl]benzonitrile;bis(4-(5-formyl-2-pyridinyl)benzonitrile).

Molecular Properties

Compound Namebromo-[8-[dimethyl(trimethylsilyloxy)silyl]octyl]-triphenyl-λ5-phosphane;6-bromopyridine-3-carbaldehyde;(4-cyanophenyl)boronic acid;4-[5-[9-[dimethyl(trimethylsilyloxy)silyl]nonyl]-2-pyridinyl]benzonitrile;bis(4-(5-formyl-2-pyridinyl)benzonitrile)
PubChem CID157464061
Molecular FormulaC96H112BBr2N8O7PSi4
Molecular Weight1803.94 g/mol
Exact Mass1800.59
IUPAC Namebromo-[8-[dimethyl(trimethylsilyloxy)silyl]octyl]-triphenyl-λ5-phosphane;6-bromopyridine-3-carbaldehyde;(4-cyanophenyl)boronic acid;4-[5-[9-[dimethyl(trimethylsilyloxy)silyl]nonyl]-2-pyridinyl]benzonitrile;bis(4-(5-formyl-2-pyridinyl)benzonitrile)
SMILESC[Si](C)(C)O[Si](C)(C)CCCCCCCCCc1ccc(-c2ccc(C#N)cc2)nc1.C[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
InChIInChI=1S/C31H46BrOPSi2.C26H40N2OSi2.2C13H8N2O.C7H6BNO2.C6H4BrNO/c1-35(2,3)33-36(4,5)28-20-9-7-6-8-19-27-34(32,29-21-13-10-14-22-29,30-23-15-11-16-24-30)31-25-17-12-18-26-31;1-30(2,3)29-31(4,5)20-12-10-8-6-7-9-11-13-24-16-19-26(28-22-24)25-17-14-23(21-27)15-18-25;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,6-9,19-20,27-28H2,1-5H3;14-19,22H,6-13,20H2,1-5H3;2*1-6,8-9H;1-4,10-11H;1-4H
InChIKeyBUGNNDYQVSTDLN-UHFFFAOYSA-N
XLogP22.93
TPSA256.85 Ų
H-Bond Donors2
H-Bond Acceptors15
Rotatable Bonds33
Heavy Atoms119
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001803.94
LogP ≤ 522.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1015

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'}

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

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Related Compounds

CID 157677535
CID 157677535
Bromo-[8-[dimethyl(trimethylsilyloxy)silyl]octyl]-triphenyl-lambda5-phosphane;5-bromopyridine-2-carbaldehyde;(4-cyanophenyl)boronic acid;4-[6-[9-[dimethyl(trimethylsilyloxy)silyl]nonyl]-3-pyridinyl]benzonitrile;bis(4-(6-formyl-3-pyridinyl)benzonitrile)
CID 158246317
Sodium;benzaldehyde;bromo-methyl-triphenyl-lambda5-phosphane;2-bromopyridine;hydride;methane;methylboronic acid;tris(2-methylpyridine);styrene
CID 158360251
Bromo-[8-[butyl(dimethyl)silyl]octyl]-triphenyl-lambda5-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
Bis(bromo-[8-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]octyl]-triphenyl-lambda5-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
4-Bromobenzaldehyde;bromo-[8-[dimethyl(trimethylsilyloxy)silyl]octyl]-triphenyl-lambda5-phosphane;6-[4-[9-[dimethyl(trimethylsilyloxy)silyl]nonyl]phenyl]pyridine-3-carbonitrile;bis(6-(4-formylphenyl)pyridine-3-carbonitrile);6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carbonitrile
CID 160132044
Sodium;benzaldehyde;2-bromopyridine;hydride;methylboronic acid;tris(2-methylpyridine);styrene
CID 160291363
4-Bromobenzaldehyde;bromo-[8-[dimethyl(trimethylsilyloxy)silyl]octyl]-triphenyl-lambda5-phosphane;5-[4-[9-[dimethyl(trimethylsilyloxy)silyl]nonyl]phenyl]pyridine-2-carbonitrile;bis(5-(4-formylphenyl)pyridine-2-carbonitrile);5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carbonitrile
CID 160774386
Bromomethane;2-bromopyridine;4-(5-bromo-2-pyridinyl)benzaldehyde;2,5-dibromopyridine;4-(5-dimethylphosphoryl-2-pyridinyl)benzaldehyde;ethane;ethene;bis((4-formylphenyl)boronic acid);prop-1-ene;pentakis(4-pyridin-2-ylbenzaldehyde)
CID 161249787

Frequently Asked Questions

What is the IUPAC name of bromo-[8-[dimethyl(trimethylsilyloxy)silyl]octyl]-triphenyl-λ5-phosphane;6-bromopyridine-3-carbaldehyde;(4-cyanophenyl)boronic acid;4-[5-[9-[dimethyl(trimethylsilyloxy)silyl]nonyl]-2-pyridinyl]benzonitrile;bis(4-(5-formyl-2-pyridinyl)benzonitrile)?
The IUPAC name of bromo-[8-[dimethyl(trimethylsilyloxy)silyl]octyl]-triphenyl-λ5-phosphane;6-bromopyridine-3-carbaldehyde;(4-cyanophenyl)boronic acid;4-[5-[9-[dimethyl(trimethylsilyloxy)silyl]nonyl]-2-pyridinyl]benzonitrile;bis(4-(5-formyl-2-pyridinyl)benzonitrile) (CID 157464061) is bromo-[8-[dimethyl(trimethylsilyloxy)silyl]octyl]-triphenyl-λ5-phosphane;6-bromopyridine-3-carbaldehyde;(4-cyanophenyl)boronic acid;4-[5-[9-[dimethyl(trimethylsilyloxy)silyl]nonyl]-2-pyridinyl]benzonitrile;bis(4-(5-formyl-2-pyridinyl)benzonitrile).
What is the SMILES notation for bromo-[8-[dimethyl(trimethylsilyloxy)silyl]octyl]-triphenyl-λ5-phosphane;6-bromopyridine-3-carbaldehyde;(4-cyanophenyl)boronic acid;4-[5-[9-[dimethyl(trimethylsilyloxy)silyl]nonyl]-2-pyridinyl]benzonitrile;bis(4-(5-formyl-2-pyridinyl)benzonitrile)?
The canonical SMILES for bromo-[8-[dimethyl(trimethylsilyloxy)silyl]octyl]-triphenyl-λ5-phosphane;6-bromopyridine-3-carbaldehyde;(4-cyanophenyl)boronic acid;4-[5-[9-[dimethyl(trimethylsilyloxy)silyl]nonyl]-2-pyridinyl]benzonitrile;bis(4-(5-formyl-2-pyridinyl)benzonitrile) is C[Si](C)(C)O[Si](C)(C)CCCCCCCCCc1ccc(-c2ccc(C#N)cc2)nc1.C[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 bromo-[8-[dimethyl(trimethylsilyloxy)silyl]octyl]-triphenyl-λ5-phosphane;6-bromopyridine-3-carbaldehyde;(4-cyanophenyl)boronic acid;4-[5-[9-[dimethyl(trimethylsilyloxy)silyl]nonyl]-2-pyridinyl]benzonitrile;bis(4-(5-formyl-2-pyridinyl)benzonitrile)?
The InChIKey is BUGNNDYQVSTDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H46BrOPSi2.C26H40N2OSi2.2C13H8N2O.C7H6BNO2.C6H4BrNO/c1-35(2,3)33-36(4,5)28-20-9-7-6-8-19-27-34(32,29-21-13-10-14-22-29,30-23-15-11-16-24-30)31-25-17-12-18-26-31;1-30(2,3)29-31(4,5)20-12-10-8-6-7-9-11-13-24-16-19-26(28-22-24)25-17-14-23(21-27)15-18-25;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,6-9,19-20,27-28H2,1-5H3;14-19,22H,6-13,20H2,1-5H3;2*1-6,8-9H;1-4,10-11H;1-4H.
What are the key properties of bromo-[8-[dimethyl(trimethylsilyloxy)silyl]octyl]-triphenyl-λ5-phosphane;6-bromopyridine-3-carbaldehyde;(4-cyanophenyl)boronic acid;4-[5-[9-[dimethyl(trimethylsilyloxy)silyl]nonyl]-2-pyridinyl]benzonitrile;bis(4-(5-formyl-2-pyridinyl)benzonitrile)?
bromo-[8-[dimethyl(trimethylsilyloxy)silyl]octyl]-triphenyl-λ5-phosphane;6-bromopyridine-3-carbaldehyde;(4-cyanophenyl)boronic acid;4-[5-[9-[dimethyl(trimethylsilyloxy)silyl]nonyl]-2-pyridinyl]benzonitrile;bis(4-(5-formyl-2-pyridinyl)benzonitrile) has a molecular weight of 1803.94 g/mol, XLogP of 22.93, 33 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for bromo-[8-[dimethyl(trimethylsilyloxy)silyl]octyl]-triphenyl-λ5-phosphane;6-bromopyridine-3-carbaldehyde;(4-cyanophenyl)boronic acid;4-[5-[9-[dimethyl(trimethylsilyloxy)silyl]nonyl]-2-pyridinyl]benzonitrile;bis(4-(5-formyl-2-pyridinyl)benzonitrile) is sourced from PubChem (CID 157464061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).