tert-butyl-(2,3-diethyl-9-fluoro-4-methoxyphenanthren-1-yl)oxy-dimethylsilane;carbon monoxide;chromium

C28H33CrFO5Si — CID 134997288

IUPACtert-butyl-(2,3-diethyl-9-fluoro-4-methoxyphenanthren-1-yl)oxy-dimethylsilane;carbon monoxide;chromium
SMILESCCc1c(CC)c(OC)c2c(cc(F)c3ccccc32)c1O[Si](C)(C)C(C)(C)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]
InChIInChI=1S/C25H33FO2Si.3CO.Cr/c1-9-16-17(10-2)24(27-6)22-19-14-12-11-13-18(19)21(26)15-20(22)23(16)28-29(7,8)25(3,4)5;3*1-2;/h11-15H,9-10H2,1-8H3;;;;
InChIKeyFFXRBRGHNZEMLO-UHFFFAOYSA-N
MW548.65 g/mol
LogP7.53
Rot. Bonds5

About tert-butyl-(2,3-diethyl-9-fluoro-4-methoxyphenanthren-1-yl)oxy-dimethylsilane;carbon monoxide;chromium

tert-butyl-(2,3-diethyl-9-fluoro-4-methoxyphenanthren-1-yl)oxy-dimethylsilane;carbon monoxide;chromium (PubChem CID 134997288) has the molecular formula C28H33CrFO5Si and a molecular weight of 548.65 g/mol. Its IUPAC name is tert-butyl-(2,3-diethyl-9-fluoro-4-methoxyphenanthren-1-yl)oxy-dimethylsilane;carbon monoxide;chromium.

Molecular Properties

Compound Nametert-butyl-(2,3-diethyl-9-fluoro-4-methoxyphenanthren-1-yl)oxy-dimethylsilane;carbon monoxide;chromium
PubChem CID134997288
Molecular FormulaC28H33CrFO5Si
Molecular Weight548.65 g/mol
Exact Mass548.15
IUPAC Nametert-butyl-(2,3-diethyl-9-fluoro-4-methoxyphenanthren-1-yl)oxy-dimethylsilane;carbon monoxide;chromium
SMILESCCc1c(CC)c(OC)c2c(cc(F)c3ccccc32)c1O[Si](C)(C)C(C)(C)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]
InChIInChI=1S/C25H33FO2Si.3CO.Cr/c1-9-16-17(10-2)24(27-6)22-19-14-12-11-13-18(19)21(26)15-20(22)23(16)28-29(7,8)25(3,4)5;3*1-2;/h11-15H,9-10H2,1-8H3;;;;
InChIKeyFFXRBRGHNZEMLO-UHFFFAOYSA-N
XLogP7.53
TPSA78.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.65
LogP ≤ 57.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'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-(2,3-diethyl-9-fluoro-4-methoxyphenanthren-1-yl)oxy-dimethylsilane;carbon monoxide;chromium?
The IUPAC name of tert-butyl-(2,3-diethyl-9-fluoro-4-methoxyphenanthren-1-yl)oxy-dimethylsilane;carbon monoxide;chromium (CID 134997288) is tert-butyl-(2,3-diethyl-9-fluoro-4-methoxyphenanthren-1-yl)oxy-dimethylsilane;carbon monoxide;chromium.
What is the SMILES notation for tert-butyl-(2,3-diethyl-9-fluoro-4-methoxyphenanthren-1-yl)oxy-dimethylsilane;carbon monoxide;chromium?
The canonical SMILES for tert-butyl-(2,3-diethyl-9-fluoro-4-methoxyphenanthren-1-yl)oxy-dimethylsilane;carbon monoxide;chromium is CCc1c(CC)c(OC)c2c(cc(F)c3ccccc32)c1O[Si](C)(C)C(C)(C)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr].
What is the InChIKey of tert-butyl-(2,3-diethyl-9-fluoro-4-methoxyphenanthren-1-yl)oxy-dimethylsilane;carbon monoxide;chromium?
The InChIKey is FFXRBRGHNZEMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33FO2Si.3CO.Cr/c1-9-16-17(10-2)24(27-6)22-19-14-12-11-13-18(19)21(26)15-20(22)23(16)28-29(7,8)25(3,4)5;3*1-2;/h11-15H,9-10H2,1-8H3;;;;.
What are the key properties of tert-butyl-(2,3-diethyl-9-fluoro-4-methoxyphenanthren-1-yl)oxy-dimethylsilane;carbon monoxide;chromium?
tert-butyl-(2,3-diethyl-9-fluoro-4-methoxyphenanthren-1-yl)oxy-dimethylsilane;carbon monoxide;chromium has a molecular weight of 548.65 g/mol, XLogP of 7.53, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(2,3-diethyl-9-fluoro-4-methoxyphenanthren-1-yl)oxy-dimethylsilane;carbon monoxide;chromium is sourced from PubChem (CID 134997288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).