tert-butyl-[2-[4-[10-[tert-butyl(dimethyl)silyl]oxy-9-methylphenanthren-2-yl]-2,3,5,6-tetrafluorophenyl]-10-methylphenanthren-9-yl]oxy-dimethylsilane

C48H50F4O2Si2 — CID 58300951

IUPACtert-butyl-[2-[4-[10-[tert-butyl(dimethyl)silyl]oxy-9-methylphenanthren-2-yl]-2,3,5,6-tetrafluorophenyl]-10-methylphenanthren-9-yl]oxy-dimethylsilane
SMILESCc1c(O[Si](C)(C)C(C)(C)C)c2ccccc2c2ccc(-c3c(F)c(F)c(-c4ccc5c(c4)c(O[Si](C)(C)C(C)(C)C)c(C)c4ccccc45)c(F)c3F)cc12
InChIInChI=1S/C48H50F4O2Si2/c1-27-31-17-13-14-18-32(31)35-24-22-30(26-38(35)46(27)54-56(11,12)48(6,7)8)40-43(51)41(49)39(42(50)44(40)52)29-21-23-34-33-19-15-16-20-36(33)45(28(2)37(34)25-29)53-55(9,10)47(3,4)5/h13-26H,1-12H3
InChIKeyDFDMYSRAPZQGJR-UHFFFAOYSA-N
MW791.09 g/mol
LogP15.57
Rot. Bonds6

About tert-butyl-[2-[4-[10-[tert-butyl(dimethyl)silyl]oxy-9-methylphenanthren-2-yl]-2,3,5,6-tetrafluorophenyl]-10-methylphenanthren-9-yl]oxy-dimethylsilane

tert-butyl-[2-[4-[10-[tert-butyl(dimethyl)silyl]oxy-9-methylphenanthren-2-yl]-2,3,5,6-tetrafluorophenyl]-10-methylphenanthren-9-yl]oxy-dimethylsilane (PubChem CID 58300951) has the molecular formula C48H50F4O2Si2 and a molecular weight of 791.09 g/mol. Its IUPAC name is tert-butyl-[2-[4-[10-[tert-butyl(dimethyl)silyl]oxy-9-methylphenanthren-2-yl]-2,3,5,6-tetrafluorophenyl]-10-methylphenanthren-9-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[2-[4-[10-[tert-butyl(dimethyl)silyl]oxy-9-methylphenanthren-2-yl]-2,3,5,6-tetrafluorophenyl]-10-methylphenanthren-9-yl]oxy-dimethylsilane
PubChem CID58300951
Molecular FormulaC48H50F4O2Si2
Molecular Weight791.09 g/mol
Exact Mass790.33
IUPAC Nametert-butyl-[2-[4-[10-[tert-butyl(dimethyl)silyl]oxy-9-methylphenanthren-2-yl]-2,3,5,6-tetrafluorophenyl]-10-methylphenanthren-9-yl]oxy-dimethylsilane
SMILESCc1c(O[Si](C)(C)C(C)(C)C)c2ccccc2c2ccc(-c3c(F)c(F)c(-c4ccc5c(c4)c(O[Si](C)(C)C(C)(C)C)c(C)c4ccccc45)c(F)c3F)cc12
InChIInChI=1S/C48H50F4O2Si2/c1-27-31-17-13-14-18-32(31)35-24-22-30(26-38(35)46(27)54-56(11,12)48(6,7)8)40-43(51)41(49)39(42(50)44(40)52)29-21-23-34-33-19-15-16-20-36(33)45(28(2)37(34)25-29)53-55(9,10)47(3,4)5/h13-26H,1-12H3
InChIKeyDFDMYSRAPZQGJR-UHFFFAOYSA-N
XLogP15.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500791.09
LogP ≤ 515.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', '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-[4-[10-[tert-butyl(dimethyl)silyl]oxy-9-methylphenanthren-2-yl]-2,3,5,6-tetrafluorophenyl]-10-methylphenanthren-9-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[2-[4-[10-[tert-butyl(dimethyl)silyl]oxy-9-methylphenanthren-2-yl]-2,3,5,6-tetrafluorophenyl]-10-methylphenanthren-9-yl]oxy-dimethylsilane (CID 58300951) is tert-butyl-[2-[4-[10-[tert-butyl(dimethyl)silyl]oxy-9-methylphenanthren-2-yl]-2,3,5,6-tetrafluorophenyl]-10-methylphenanthren-9-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[2-[4-[10-[tert-butyl(dimethyl)silyl]oxy-9-methylphenanthren-2-yl]-2,3,5,6-tetrafluorophenyl]-10-methylphenanthren-9-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[2-[4-[10-[tert-butyl(dimethyl)silyl]oxy-9-methylphenanthren-2-yl]-2,3,5,6-tetrafluorophenyl]-10-methylphenanthren-9-yl]oxy-dimethylsilane is Cc1c(O[Si](C)(C)C(C)(C)C)c2ccccc2c2ccc(-c3c(F)c(F)c(-c4ccc5c(c4)c(O[Si](C)(C)C(C)(C)C)c(C)c4ccccc45)c(F)c3F)cc12.
What is the InChIKey of tert-butyl-[2-[4-[10-[tert-butyl(dimethyl)silyl]oxy-9-methylphenanthren-2-yl]-2,3,5,6-tetrafluorophenyl]-10-methylphenanthren-9-yl]oxy-dimethylsilane?
The InChIKey is DFDMYSRAPZQGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H50F4O2Si2/c1-27-31-17-13-14-18-32(31)35-24-22-30(26-38(35)46(27)54-56(11,12)48(6,7)8)40-43(51)41(49)39(42(50)44(40)52)29-21-23-34-33-19-15-16-20-36(33)45(28(2)37(34)25-29)53-55(9,10)47(3,4)5/h13-26H,1-12H3.
What are the key properties of tert-butyl-[2-[4-[10-[tert-butyl(dimethyl)silyl]oxy-9-methylphenanthren-2-yl]-2,3,5,6-tetrafluorophenyl]-10-methylphenanthren-9-yl]oxy-dimethylsilane?
tert-butyl-[2-[4-[10-[tert-butyl(dimethyl)silyl]oxy-9-methylphenanthren-2-yl]-2,3,5,6-tetrafluorophenyl]-10-methylphenanthren-9-yl]oxy-dimethylsilane has a molecular weight of 791.09 g/mol, XLogP of 15.57, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-[4-[10-[tert-butyl(dimethyl)silyl]oxy-9-methylphenanthren-2-yl]-2,3,5,6-tetrafluorophenyl]-10-methylphenanthren-9-yl]oxy-dimethylsilane is sourced from PubChem (CID 58300951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).