4-[(E)-1-[2-(2-diphenylphosphanylphenyl)phenyl]-2-trimethylsilylethenyl]benzonitrile

C36H32NPSi — CID 175772375

IUPAC4-[(E)-1-[2-(2-diphenylphosphanylphenyl)phenyl]-2-trimethylsilylethenyl]benzonitrile
SMILESC[Si](C)(C)/C=C(\c1ccc(C#N)cc1)c1ccccc1-c1ccccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C36H32NPSi/c1-39(2,3)27-35(29-24-22-28(26-37)23-25-29)33-19-11-10-18-32(33)34-20-12-13-21-36(34)38(30-14-6-4-7-15-30)31-16-8-5-9-17-31/h4-25,27H,1-3H3/b35-27+
InChIKeyJFFDSFBVWUHYGQ-ROMHNNFLSA-N
MW537.72 g/mol
LogP8.29
Rot. Bonds7

About 4-[(E)-1-[2-(2-diphenylphosphanylphenyl)phenyl]-2-trimethylsilylethenyl]benzonitrile

4-[(E)-1-[2-(2-diphenylphosphanylphenyl)phenyl]-2-trimethylsilylethenyl]benzonitrile (PubChem CID 175772375) has the molecular formula C36H32NPSi and a molecular weight of 537.72 g/mol. Its IUPAC name is 4-[(E)-1-[2-(2-diphenylphosphanylphenyl)phenyl]-2-trimethylsilylethenyl]benzonitrile.

Molecular Properties

Compound Name4-[(E)-1-[2-(2-diphenylphosphanylphenyl)phenyl]-2-trimethylsilylethenyl]benzonitrile
PubChem CID175772375
Molecular FormulaC36H32NPSi
Molecular Weight537.72 g/mol
Exact Mass537.20
IUPAC Name4-[(E)-1-[2-(2-diphenylphosphanylphenyl)phenyl]-2-trimethylsilylethenyl]benzonitrile
SMILESC[Si](C)(C)/C=C(\c1ccc(C#N)cc1)c1ccccc1-c1ccccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C36H32NPSi/c1-39(2,3)27-35(29-24-22-28(26-37)23-25-29)33-19-11-10-18-32(33)34-20-12-13-21-36(34)38(30-14-6-4-7-15-30)31-16-8-5-9-17-31/h4-25,27H,1-3H3/b35-27+
InChIKeyJFFDSFBVWUHYGQ-ROMHNNFLSA-N
XLogP8.29
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.72
LogP ≤ 58.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

diphenyl-[2-[2-[(E)-1-phenylprop-1-enyl]phenyl]phenyl]phosphane
CID 164669457
bis([2-(2-diphenylphosphanylphenyl)phenyl]-diphenylphosphane);hydrate
CID 87203660
[2-[2,6-bis[(E)-1,2-diphenylethenyl]phenyl]phenyl]-diphenylphosphane
CID 164669474
[2-[2-(2-methylphenyl)phenyl]phenyl]-diphenylphosphane
CID 142046194
[2-[2-[(E)-1,2-bis(3-chlorophenyl)ethenyl]phenyl]phenyl]-diphenylphosphane
CID 175772334
[2-[(E)-1,2-diphenylethenyl]phenyl]-diphenylphosphane
CID 132966210
4-[(Z)-1-phenyl-2-triethylgermylethenyl]benzonitrile
CID 102411273
4-[(E)-1-phenyl-2-triethylgermylethenyl]benzonitrile
CID 102027341
[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-diphenylphosphane;ethane
CID 143467946
4-[dimethyl(phenyl)silyl]carbonylbenzonitrile
CID 14937840
4-(2-oxaldehydoylphenyl)benzonitrile
CID 21314406
2-(4-cyanophenyl)benzoic acid
CID 2757952

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-1-[2-(2-diphenylphosphanylphenyl)phenyl]-2-trimethylsilylethenyl]benzonitrile?
The IUPAC name of 4-[(E)-1-[2-(2-diphenylphosphanylphenyl)phenyl]-2-trimethylsilylethenyl]benzonitrile (CID 175772375) is 4-[(E)-1-[2-(2-diphenylphosphanylphenyl)phenyl]-2-trimethylsilylethenyl]benzonitrile.
What is the SMILES notation for 4-[(E)-1-[2-(2-diphenylphosphanylphenyl)phenyl]-2-trimethylsilylethenyl]benzonitrile?
The canonical SMILES for 4-[(E)-1-[2-(2-diphenylphosphanylphenyl)phenyl]-2-trimethylsilylethenyl]benzonitrile is C[Si](C)(C)/C=C(\c1ccc(C#N)cc1)c1ccccc1-c1ccccc1P(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-[(E)-1-[2-(2-diphenylphosphanylphenyl)phenyl]-2-trimethylsilylethenyl]benzonitrile?
The InChIKey is JFFDSFBVWUHYGQ-ROMHNNFLSA-N. The full InChI is InChI=1S/C36H32NPSi/c1-39(2,3)27-35(29-24-22-28(26-37)23-25-29)33-19-11-10-18-32(33)34-20-12-13-21-36(34)38(30-14-6-4-7-15-30)31-16-8-5-9-17-31/h4-25,27H,1-3H3/b35-27+.
What are the key properties of 4-[(E)-1-[2-(2-diphenylphosphanylphenyl)phenyl]-2-trimethylsilylethenyl]benzonitrile?
4-[(E)-1-[2-(2-diphenylphosphanylphenyl)phenyl]-2-trimethylsilylethenyl]benzonitrile has a molecular weight of 537.72 g/mol, XLogP of 8.29, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-1-[2-(2-diphenylphosphanylphenyl)phenyl]-2-trimethylsilylethenyl]benzonitrile is sourced from PubChem (CID 175772375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).