2-((Diphenylsilyl)(phenyl)methyl)malononitrile

C22H17N2Si — CID 166636961

IUPAC—
SMILESN#CC(C#N)C(c1ccccc1)[Si](c1ccccc1)c1ccccc1
InChIInChI=1S/C22H17N2Si/c23-16-19(17-24)22(18-10-4-1-5-11-18)25(20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,19,22H
InChIKeyNIBQOWDDZUKFAO-UHFFFAOYSA-N
MW337.48 g/mol
LogP3.28
Rot. Bonds5

About 2-((Diphenylsilyl)(phenyl)methyl)malononitrile

2-((Diphenylsilyl)(phenyl)methyl)malononitrile (PubChem CID 166636961) has the molecular formula C22H17N2Si and a molecular weight of 337.48 g/mol.

Molecular Properties

Compound Name2-((Diphenylsilyl)(phenyl)methyl)malononitrile
PubChem CID166636961
Molecular FormulaC22H17N2Si
Molecular Weight337.48 g/mol
Exact Mass337.12
IUPAC Name—
SMILESN#CC(C#N)C(c1ccccc1)[Si](c1ccccc1)c1ccccc1
InChIInChI=1S/C22H17N2Si/c23-16-19(17-24)22(18-10-4-1-5-11-18)25(20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,19,22H
InChIKeyNIBQOWDDZUKFAO-UHFFFAOYSA-N
XLogP3.28
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.48
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 22743
CID 22743
CID 5379112
CID 5379112
CID 104707
CID 104707
CID 106491
CID 106491
CID 18331517
CID 18331517
CID 219144
CID 219144
CID 14439274
CID 14439274
CID 4349671
CID 4349671
CID 255295
CID 255295
CID 361638
CID 361638
CID 224181
CID 224181
CID 238260
CID 238260

Frequently Asked Questions

What is the IUPAC name of 2-((Diphenylsilyl)(phenyl)methyl)malononitrile?
The IUPAC name of 2-((Diphenylsilyl)(phenyl)methyl)malononitrile (CID 166636961) is not available.
What is the SMILES notation for 2-((Diphenylsilyl)(phenyl)methyl)malononitrile?
The canonical SMILES for 2-((Diphenylsilyl)(phenyl)methyl)malononitrile is N#CC(C#N)C(c1ccccc1)[Si](c1ccccc1)c1ccccc1.
What is the InChIKey of 2-((Diphenylsilyl)(phenyl)methyl)malononitrile?
The InChIKey is NIBQOWDDZUKFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N2Si/c23-16-19(17-24)22(18-10-4-1-5-11-18)25(20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,19,22H.
What are the key properties of 2-((Diphenylsilyl)(phenyl)methyl)malononitrile?
2-((Diphenylsilyl)(phenyl)methyl)malononitrile has a molecular weight of 337.48 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-((Diphenylsilyl)(phenyl)methyl)malononitrile is sourced from PubChem (CID 166636961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).