CID 177496330

C29H22F5Si — CID 177496330

IUPAC—
SMILESC=CCC(F)(F)c1cc(-c2ccc(C(F)(F)F)cc2)ccc1[Si](c1ccccc1)c1ccccc1
InChIInChI=1S/C29H22F5Si/c1-2-19-28(30,31)26-20-22(21-13-16-23(17-14-21)29(32,33)34)15-18-27(26)35(24-9-5-3-6-10-24)25-11-7-4-8-12-25/h2-18,20H,1,19H2
InChIKeyULFMZPOOGQGASL-UHFFFAOYSA-N
MW493.57 g/mol
LogP6.56
Rot. Bonds7

About CID 177496330

CID 177496330 (PubChem CID 177496330) has the molecular formula C29H22F5Si and a molecular weight of 493.57 g/mol.

Molecular Properties

Compound NameCID 177496330
PubChem CID177496330
Molecular FormulaC29H22F5Si
Molecular Weight493.57 g/mol
Exact Mass493.14
IUPAC Name—
SMILESC=CCC(F)(F)c1cc(-c2ccc(C(F)(F)F)cc2)ccc1[Si](c1ccccc1)c1ccccc1
InChIInChI=1S/C29H22F5Si/c1-2-19-28(30,31)26-20-22(21-13-16-23(17-14-21)29(32,33)34)15-18-27(26)35(24-9-5-3-6-10-24)25-11-7-4-8-12-25/h2-18,20H,1,19H2
InChIKeyULFMZPOOGQGASL-UHFFFAOYSA-N
XLogP6.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.57
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 177496330?
The IUPAC name of CID 177496330 (CID 177496330) is not available.
What is the SMILES notation for CID 177496330?
The canonical SMILES for CID 177496330 is C=CCC(F)(F)c1cc(-c2ccc(C(F)(F)F)cc2)ccc1[Si](c1ccccc1)c1ccccc1.
What is the InChIKey of CID 177496330?
The InChIKey is ULFMZPOOGQGASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22F5Si/c1-2-19-28(30,31)26-20-22(21-13-16-23(17-14-21)29(32,33)34)15-18-27(26)35(24-9-5-3-6-10-24)25-11-7-4-8-12-25/h2-18,20H,1,19H2.
What are the key properties of CID 177496330?
CID 177496330 has a molecular weight of 493.57 g/mol, XLogP of 6.56, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 177496330 is sourced from PubChem (CID 177496330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).