CID 22359712

C29H30F2NSi — CID 22359712

IUPAC—
SMILESCCCCC[Si]1CCC(c2ccc(-c3ccccc3)c(-c3cc(F)c(C#N)c(F)c3)c2)CC1
InChIInChI=1S/C29H30F2NSi/c1-2-3-7-14-33-15-12-21(13-16-33)23-10-11-25(22-8-5-4-6-9-22)26(17-23)24-18-28(30)27(20-32)29(31)19-24/h4-6,8-11,17-19,21H,2-3,7,12-16H2,1H3
InChIKeyUAWNIFYIFYDMNG-UHFFFAOYSA-N
MW458.65 g/mol
LogP8.73
Rot. Bonds7

About CID 22359712

CID 22359712 (PubChem CID 22359712) has the molecular formula C29H30F2NSi and a molecular weight of 458.65 g/mol.

Molecular Properties

Compound NameCID 22359712
PubChem CID22359712
Molecular FormulaC29H30F2NSi
Molecular Weight458.65 g/mol
Exact Mass458.21
IUPAC Name—
SMILESCCCCC[Si]1CCC(c2ccc(-c3ccccc3)c(-c3cc(F)c(C#N)c(F)c3)c2)CC1
InChIInChI=1S/C29H30F2NSi/c1-2-3-7-14-33-15-12-21(13-16-33)23-10-11-25(22-8-5-4-6-9-22)26(17-23)24-18-28(30)27(20-32)29(31)19-24/h4-6,8-11,17-19,21H,2-3,7,12-16H2,1H3
InChIKeyUAWNIFYIFYDMNG-UHFFFAOYSA-N
XLogP8.73
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.65
LogP ≤ 58.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 22359712?
The IUPAC name of CID 22359712 (CID 22359712) is not available.
What is the SMILES notation for CID 22359712?
The canonical SMILES for CID 22359712 is CCCCC[Si]1CCC(c2ccc(-c3ccccc3)c(-c3cc(F)c(C#N)c(F)c3)c2)CC1.
What is the InChIKey of CID 22359712?
The InChIKey is UAWNIFYIFYDMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30F2NSi/c1-2-3-7-14-33-15-12-21(13-16-33)23-10-11-25(22-8-5-4-6-9-22)26(17-23)24-18-28(30)27(20-32)29(31)19-24/h4-6,8-11,17-19,21H,2-3,7,12-16H2,1H3.
What are the key properties of CID 22359712?
CID 22359712 has a molecular weight of 458.65 g/mol, XLogP of 8.73, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 22359712 is sourced from PubChem (CID 22359712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).