4-[(E)-2-[4-[methyl-bis(trimethylsilyl)silyl]phenyl]ethenyl]benzonitrile

C22H31NSi3 — CID 10644308

IUPAC4-[(E)-2-[4-[methyl-bis(trimethylsilyl)silyl]phenyl]ethenyl]benzonitrile
SMILESC[Si](C)(C)[Si](C)(c1ccc(/C=C/c2ccc(C#N)cc2)cc1)[Si](C)(C)C
InChIInChI=1S/C22H31NSi3/c1-24(2,3)26(7,25(4,5)6)22-16-14-20(15-17-22)9-8-19-10-12-21(18-23)13-11-19/h8-17H,1-7H3/b9-8+
InChIKeyRVXBKFGHMGLFQL-CMDGGOBGSA-N
MW393.76 g/mol
LogP5.85
Rot. Bonds5

About 4-[(E)-2-[4-[methyl-bis(trimethylsilyl)silyl]phenyl]ethenyl]benzonitrile

4-[(E)-2-[4-[methyl-bis(trimethylsilyl)silyl]phenyl]ethenyl]benzonitrile (PubChem CID 10644308) has the molecular formula C22H31NSi3 and a molecular weight of 393.76 g/mol. Its IUPAC name is 4-[(E)-2-[4-[methyl-bis(trimethylsilyl)silyl]phenyl]ethenyl]benzonitrile.

Molecular Properties

Compound Name4-[(E)-2-[4-[methyl-bis(trimethylsilyl)silyl]phenyl]ethenyl]benzonitrile
PubChem CID10644308
Molecular FormulaC22H31NSi3
Molecular Weight393.76 g/mol
Exact Mass393.18
IUPAC Name4-[(E)-2-[4-[methyl-bis(trimethylsilyl)silyl]phenyl]ethenyl]benzonitrile
SMILESC[Si](C)(C)[Si](C)(c1ccc(/C=C/c2ccc(C#N)cc2)cc1)[Si](C)(C)C
InChIInChI=1S/C22H31NSi3/c1-24(2,3)26(7,25(4,5)6)22-16-14-20(15-17-22)9-8-19-10-12-21(18-23)13-11-19/h8-17H,1-7H3/b9-8+
InChIKeyRVXBKFGHMGLFQL-CMDGGOBGSA-N
XLogP5.85
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.76
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[4-[methyl-bis(trimethylsilyl)silyl]phenyl]ethenyl]benzonitrile?
The IUPAC name of 4-[(E)-2-[4-[methyl-bis(trimethylsilyl)silyl]phenyl]ethenyl]benzonitrile (CID 10644308) is 4-[(E)-2-[4-[methyl-bis(trimethylsilyl)silyl]phenyl]ethenyl]benzonitrile.
What is the SMILES notation for 4-[(E)-2-[4-[methyl-bis(trimethylsilyl)silyl]phenyl]ethenyl]benzonitrile?
The canonical SMILES for 4-[(E)-2-[4-[methyl-bis(trimethylsilyl)silyl]phenyl]ethenyl]benzonitrile is C[Si](C)(C)[Si](C)(c1ccc(/C=C/c2ccc(C#N)cc2)cc1)[Si](C)(C)C.
What is the InChIKey of 4-[(E)-2-[4-[methyl-bis(trimethylsilyl)silyl]phenyl]ethenyl]benzonitrile?
The InChIKey is RVXBKFGHMGLFQL-CMDGGOBGSA-N. The full InChI is InChI=1S/C22H31NSi3/c1-24(2,3)26(7,25(4,5)6)22-16-14-20(15-17-22)9-8-19-10-12-21(18-23)13-11-19/h8-17H,1-7H3/b9-8+.
What are the key properties of 4-[(E)-2-[4-[methyl-bis(trimethylsilyl)silyl]phenyl]ethenyl]benzonitrile?
4-[(E)-2-[4-[methyl-bis(trimethylsilyl)silyl]phenyl]ethenyl]benzonitrile has a molecular weight of 393.76 g/mol, XLogP of 5.85, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[4-[methyl-bis(trimethylsilyl)silyl]phenyl]ethenyl]benzonitrile is sourced from PubChem (CID 10644308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).