[9-[[dimethyl(phenyl)silyl]oxymethyl]-2-fluorofluoren-9-yl]methoxy-dimethyl-phenylsilane

C31H33FO2Si2 — CID 22639129

IUPAC[9-[[dimethyl(phenyl)silyl]oxymethyl]-2-fluorofluoren-9-yl]methoxy-dimethyl-phenylsilane
SMILESC[Si](C)(OCC1(CO[Si](C)(C)c2ccccc2)c2ccccc2-c2ccc(F)cc21)c1ccccc1
InChIInChI=1S/C31H33FO2Si2/c1-35(2,25-13-7-5-8-14-25)33-22-31(23-34-36(3,4)26-15-9-6-10-16-26)29-18-12-11-17-27(29)28-20-19-24(32)21-30(28)31/h5-21H,22-23H2,1-4H3
InChIKeyMAUUHJILNAJBDZ-UHFFFAOYSA-N
MW512.77 g/mol
LogP6.35
Rot. Bonds8

About [9-[[dimethyl(phenyl)silyl]oxymethyl]-2-fluorofluoren-9-yl]methoxy-dimethyl-phenylsilane

[9-[[dimethyl(phenyl)silyl]oxymethyl]-2-fluorofluoren-9-yl]methoxy-dimethyl-phenylsilane (PubChem CID 22639129) has the molecular formula C31H33FO2Si2 and a molecular weight of 512.77 g/mol. Its IUPAC name is [9-[[dimethyl(phenyl)silyl]oxymethyl]-2-fluorofluoren-9-yl]methoxy-dimethyl-phenylsilane.

Molecular Properties

Compound Name[9-[[dimethyl(phenyl)silyl]oxymethyl]-2-fluorofluoren-9-yl]methoxy-dimethyl-phenylsilane
PubChem CID22639129
Molecular FormulaC31H33FO2Si2
Molecular Weight512.77 g/mol
Exact Mass512.20
IUPAC Name[9-[[dimethyl(phenyl)silyl]oxymethyl]-2-fluorofluoren-9-yl]methoxy-dimethyl-phenylsilane
SMILESC[Si](C)(OCC1(CO[Si](C)(C)c2ccccc2)c2ccccc2-c2ccc(F)cc21)c1ccccc1
InChIInChI=1S/C31H33FO2Si2/c1-35(2,25-13-7-5-8-14-25)33-22-31(23-34-36(3,4)26-15-9-6-10-16-26)29-18-12-11-17-27(29)28-20-19-24(32)21-30(28)31/h5-21H,22-23H2,1-4H3
InChIKeyMAUUHJILNAJBDZ-UHFFFAOYSA-N
XLogP6.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.77
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [9-[[dimethyl(phenyl)silyl]oxymethyl]-2-fluorofluoren-9-yl]methoxy-dimethyl-phenylsilane?
The IUPAC name of [9-[[dimethyl(phenyl)silyl]oxymethyl]-2-fluorofluoren-9-yl]methoxy-dimethyl-phenylsilane (CID 22639129) is [9-[[dimethyl(phenyl)silyl]oxymethyl]-2-fluorofluoren-9-yl]methoxy-dimethyl-phenylsilane.
What is the SMILES notation for [9-[[dimethyl(phenyl)silyl]oxymethyl]-2-fluorofluoren-9-yl]methoxy-dimethyl-phenylsilane?
The canonical SMILES for [9-[[dimethyl(phenyl)silyl]oxymethyl]-2-fluorofluoren-9-yl]methoxy-dimethyl-phenylsilane is C[Si](C)(OCC1(CO[Si](C)(C)c2ccccc2)c2ccccc2-c2ccc(F)cc21)c1ccccc1.
What is the InChIKey of [9-[[dimethyl(phenyl)silyl]oxymethyl]-2-fluorofluoren-9-yl]methoxy-dimethyl-phenylsilane?
The InChIKey is MAUUHJILNAJBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33FO2Si2/c1-35(2,25-13-7-5-8-14-25)33-22-31(23-34-36(3,4)26-15-9-6-10-16-26)29-18-12-11-17-27(29)28-20-19-24(32)21-30(28)31/h5-21H,22-23H2,1-4H3.
What are the key properties of [9-[[dimethyl(phenyl)silyl]oxymethyl]-2-fluorofluoren-9-yl]methoxy-dimethyl-phenylsilane?
[9-[[dimethyl(phenyl)silyl]oxymethyl]-2-fluorofluoren-9-yl]methoxy-dimethyl-phenylsilane has a molecular weight of 512.77 g/mol, XLogP of 6.35, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [9-[[dimethyl(phenyl)silyl]oxymethyl]-2-fluorofluoren-9-yl]methoxy-dimethyl-phenylsilane is sourced from PubChem (CID 22639129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).