tert-butyl-dimethyl-[[10-[2-(trifluoromethyl)phenyl]phenanthren-9-yl]methoxy]silane

C28H29F3OSi — CID 135013139

IUPACtert-butyl-dimethyl-[[10-[2-(trifluoromethyl)phenyl]phenanthren-9-yl]methoxy]silane
SMILESCC(C)(C)[Si](C)(C)OCc1c(-c2ccccc2C(F)(F)F)c2ccccc2c2ccccc12
InChIInChI=1S/C28H29F3OSi/c1-27(2,3)33(4,5)32-18-24-21-14-7-6-12-19(21)20-13-8-9-15-22(20)26(24)23-16-10-11-17-25(23)28(29,30)31/h6-17H,18H2,1-5H3
InChIKeyMRSSPKYAKRGXJA-UHFFFAOYSA-N
MW466.62 g/mol
LogP9.20
Rot. Bonds4

About tert-butyl-dimethyl-[[10-[2-(trifluoromethyl)phenyl]phenanthren-9-yl]methoxy]silane

tert-butyl-dimethyl-[[10-[2-(trifluoromethyl)phenyl]phenanthren-9-yl]methoxy]silane (PubChem CID 135013139) has the molecular formula C28H29F3OSi and a molecular weight of 466.62 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[10-[2-(trifluoromethyl)phenyl]phenanthren-9-yl]methoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[10-[2-(trifluoromethyl)phenyl]phenanthren-9-yl]methoxy]silane
PubChem CID135013139
Molecular FormulaC28H29F3OSi
Molecular Weight466.62 g/mol
Exact Mass466.19
IUPAC Nametert-butyl-dimethyl-[[10-[2-(trifluoromethyl)phenyl]phenanthren-9-yl]methoxy]silane
SMILESCC(C)(C)[Si](C)(C)OCc1c(-c2ccccc2C(F)(F)F)c2ccccc2c2ccccc12
InChIInChI=1S/C28H29F3OSi/c1-27(2,3)33(4,5)32-18-24-21-14-7-6-12-19(21)20-13-8-9-15-22(20)26(24)23-16-10-11-17-25(23)28(29,30)31/h6-17H,18H2,1-5H3
InChIKeyMRSSPKYAKRGXJA-UHFFFAOYSA-N
XLogP9.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.62
LogP ≤ 59.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[[10-[2-(trifluoromethyl)phenyl]phenanthren-9-yl]methoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[10-[2-(trifluoromethyl)phenyl]phenanthren-9-yl]methoxy]silane (CID 135013139) is tert-butyl-dimethyl-[[10-[2-(trifluoromethyl)phenyl]phenanthren-9-yl]methoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[10-[2-(trifluoromethyl)phenyl]phenanthren-9-yl]methoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[10-[2-(trifluoromethyl)phenyl]phenanthren-9-yl]methoxy]silane is CC(C)(C)[Si](C)(C)OCc1c(-c2ccccc2C(F)(F)F)c2ccccc2c2ccccc12.
What is the InChIKey of tert-butyl-dimethyl-[[10-[2-(trifluoromethyl)phenyl]phenanthren-9-yl]methoxy]silane?
The InChIKey is MRSSPKYAKRGXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29F3OSi/c1-27(2,3)33(4,5)32-18-24-21-14-7-6-12-19(21)20-13-8-9-15-22(20)26(24)23-16-10-11-17-25(23)28(29,30)31/h6-17H,18H2,1-5H3.
What are the key properties of tert-butyl-dimethyl-[[10-[2-(trifluoromethyl)phenyl]phenanthren-9-yl]methoxy]silane?
tert-butyl-dimethyl-[[10-[2-(trifluoromethyl)phenyl]phenanthren-9-yl]methoxy]silane has a molecular weight of 466.62 g/mol, XLogP of 9.20, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[10-[2-(trifluoromethyl)phenyl]phenanthren-9-yl]methoxy]silane is sourced from PubChem (CID 135013139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).