4-bromobenzaldehyde;bromo-[8-[dimethyl(trimethylsilyloxy)silyl]octyl]-triphenyl-λ5-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

C102H122BBr2N8O7PSi4 — CID 160774386

IUPAC4-bromobenzaldehyde;bromo-[8-[dimethyl(trimethylsilyloxy)silyl]octyl]-triphenyl-λ5-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
SMILESCC1(C)OB(c2ccc(C#N)nc2)OC1(C)C.C[Si](C)(C)O[Si](C)(C)CCCCCCCCCc1ccc(-c2ccc(C#N)nc2)cc1.C[Si](C)(C)O[Si](C)(C)CCCCCCCCP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1.N#Cc1ccc(-c2ccc(C=O)cc2)cn1.N#Cc1ccc(-c2ccc(C=O)cc2)cn1.O=Cc1ccc(Br)cc1
InChIInChI=1S/C31H46BrOPSi2.C26H40N2OSi2.2C13H8N2O.C12H15BN2O2.C7H5BrO/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)20-12-10-8-6-7-9-11-13-23-14-16-24(17-15-23)25-18-19-26(21-27)28-22-25;2*14-7-13-6-5-12(8-15-13)11-3-1-10(9-16)2-4-11;1-11(2)12(3,4)17-13(16-11)9-5-6-10(7-14)15-8-9;8-7-3-1-6(5-9)2-4-7/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;5-6,8H,1-4H3;1-5H
InChIKeyRZTCVGDIKXHRBF-UHFFFAOYSA-N
MW1886.08 g/mol
LogP25.55
Rot. Bonds33

About 4-bromobenzaldehyde;bromo-[8-[dimethyl(trimethylsilyloxy)silyl]octyl]-triphenyl-λ5-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

4-bromobenzaldehyde;bromo-[8-[dimethyl(trimethylsilyloxy)silyl]octyl]-triphenyl-λ5-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 (PubChem CID 160774386) has the molecular formula C102H122BBr2N8O7PSi4 and a molecular weight of 1886.08 g/mol. Its IUPAC name is 4-bromobenzaldehyde;bromo-[8-[dimethyl(trimethylsilyloxy)silyl]octyl]-triphenyl-λ5-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.

Molecular Properties

Compound Name4-bromobenzaldehyde;bromo-[8-[dimethyl(trimethylsilyloxy)silyl]octyl]-triphenyl-λ5-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
PubChem CID160774386
Molecular FormulaC102H122BBr2N8O7PSi4
Molecular Weight1886.08 g/mol
Exact Mass1882.67
IUPAC Name4-bromobenzaldehyde;bromo-[8-[dimethyl(trimethylsilyloxy)silyl]octyl]-triphenyl-λ5-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
SMILESCC1(C)OB(c2ccc(C#N)nc2)OC1(C)C.C[Si](C)(C)O[Si](C)(C)CCCCCCCCCc1ccc(-c2ccc(C#N)nc2)cc1.C[Si](C)(C)O[Si](C)(C)CCCCCCCCP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1.N#Cc1ccc(-c2ccc(C=O)cc2)cn1.N#Cc1ccc(-c2ccc(C=O)cc2)cn1.O=Cc1ccc(Br)cc1
InChIInChI=1S/C31H46BrOPSi2.C26H40N2OSi2.2C13H8N2O.C12H15BN2O2.C7H5BrO/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)20-12-10-8-6-7-9-11-13-23-14-16-24(17-15-23)25-18-19-26(21-27)28-22-25;2*14-7-13-6-5-12(8-15-13)11-3-1-10(9-16)2-4-11;1-11(2)12(3,4)17-13(16-11)9-5-6-10(7-14)15-8-9;8-7-3-1-6(5-9)2-4-7/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;5-6,8H,1-4H3;1-5H
InChIKeyRZTCVGDIKXHRBF-UHFFFAOYSA-N
XLogP25.55
TPSA234.85 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds33
Heavy Atoms125
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001886.08
LogP ≤ 525.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'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 4-bromobenzaldehyde;bromo-[8-[dimethyl(trimethylsilyloxy)silyl]octyl]-triphenyl-λ5-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 with MolForge

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Related Compounds

Bromo-[8-[dimethyl(trimethylsilyloxy)silyl]octyl]-triphenyl-lambda5-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
4-Bromobenzaldehyde;bis(iridium(3+));methane;tris(4-(3-pyridin-2-ylbenzene-4-id-1-yl)benzaldehyde);tris(2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-6-id-1-yl]pyridine)
CID 157654810
4-Bromobenzaldehyde;bis(iridium(3+));tris(4-(3-pyridin-2-ylbenzene-4-id-1-yl)benzaldehyde);tris(2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-6-id-1-yl]pyridine)
CID 157900651
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
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 4-bromobenzaldehyde;bromo-[8-[dimethyl(trimethylsilyloxy)silyl]octyl]-triphenyl-λ5-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?
The IUPAC name of 4-bromobenzaldehyde;bromo-[8-[dimethyl(trimethylsilyloxy)silyl]octyl]-triphenyl-λ5-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) is 4-bromobenzaldehyde;bromo-[8-[dimethyl(trimethylsilyloxy)silyl]octyl]-triphenyl-λ5-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.
What is the SMILES notation for 4-bromobenzaldehyde;bromo-[8-[dimethyl(trimethylsilyloxy)silyl]octyl]-triphenyl-λ5-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?
The canonical SMILES for 4-bromobenzaldehyde;bromo-[8-[dimethyl(trimethylsilyloxy)silyl]octyl]-triphenyl-λ5-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 is CC1(C)OB(c2ccc(C#N)nc2)OC1(C)C.C[Si](C)(C)O[Si](C)(C)CCCCCCCCCc1ccc(-c2ccc(C#N)nc2)cc1.C[Si](C)(C)O[Si](C)(C)CCCCCCCCP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1.N#Cc1ccc(-c2ccc(C=O)cc2)cn1.N#Cc1ccc(-c2ccc(C=O)cc2)cn1.O=Cc1ccc(Br)cc1.
What is the InChIKey of 4-bromobenzaldehyde;bromo-[8-[dimethyl(trimethylsilyloxy)silyl]octyl]-triphenyl-λ5-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?
The InChIKey is RZTCVGDIKXHRBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H46BrOPSi2.C26H40N2OSi2.2C13H8N2O.C12H15BN2O2.C7H5BrO/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)20-12-10-8-6-7-9-11-13-23-14-16-24(17-15-23)25-18-19-26(21-27)28-22-25;2*14-7-13-6-5-12(8-15-13)11-3-1-10(9-16)2-4-11;1-11(2)12(3,4)17-13(16-11)9-5-6-10(7-14)15-8-9;8-7-3-1-6(5-9)2-4-7/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;5-6,8H,1-4H3;1-5H.
What are the key properties of 4-bromobenzaldehyde;bromo-[8-[dimethyl(trimethylsilyloxy)silyl]octyl]-triphenyl-λ5-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?
4-bromobenzaldehyde;bromo-[8-[dimethyl(trimethylsilyloxy)silyl]octyl]-triphenyl-λ5-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 has a molecular weight of 1886.08 g/mol, XLogP of 25.55, 33 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromobenzaldehyde;bromo-[8-[dimethyl(trimethylsilyloxy)silyl]octyl]-triphenyl-λ5-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 is sourced from PubChem (CID 160774386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).