(2,7-dibromo-9,10-dimethyl-10-trimethylsilyloxyphenanthren-9-yl)oxy-trimethylsilane

C22H30Br2O2Si2 — CID 23150363

IUPAC(2,7-dibromo-9,10-dimethyl-10-trimethylsilyloxyphenanthren-9-yl)oxy-trimethylsilane
SMILESCC1(O[Si](C)(C)C)c2cc(Br)ccc2-c2ccc(Br)cc2C1(C)O[Si](C)(C)C
InChIInChI=1S/C22H30Br2O2Si2/c1-21(25-27(3,4)5)19-13-15(23)9-11-17(19)18-12-10-16(24)14-20(18)22(21,2)26-28(6,7)8/h9-14H,1-8H3
InChIKeyDHRNBIFFOFUJKV-UHFFFAOYSA-N
MW542.46 g/mol
LogP8.03
Rot. Bonds4

About (2,7-dibromo-9,10-dimethyl-10-trimethylsilyloxyphenanthren-9-yl)oxy-trimethylsilane

(2,7-dibromo-9,10-dimethyl-10-trimethylsilyloxyphenanthren-9-yl)oxy-trimethylsilane (PubChem CID 23150363) has the molecular formula C22H30Br2O2Si2 and a molecular weight of 542.46 g/mol. Its IUPAC name is (2,7-dibromo-9,10-dimethyl-10-trimethylsilyloxyphenanthren-9-yl)oxy-trimethylsilane.

Molecular Properties

Compound Name(2,7-dibromo-9,10-dimethyl-10-trimethylsilyloxyphenanthren-9-yl)oxy-trimethylsilane
PubChem CID23150363
Molecular FormulaC22H30Br2O2Si2
Molecular Weight542.46 g/mol
Exact Mass540.02
IUPAC Name(2,7-dibromo-9,10-dimethyl-10-trimethylsilyloxyphenanthren-9-yl)oxy-trimethylsilane
SMILESCC1(O[Si](C)(C)C)c2cc(Br)ccc2-c2ccc(Br)cc2C1(C)O[Si](C)(C)C
InChIInChI=1S/C22H30Br2O2Si2/c1-21(25-27(3,4)5)19-13-15(23)9-11-17(19)18-12-10-16(24)14-20(18)22(21,2)26-28(6,7)8/h9-14H,1-8H3
InChIKeyDHRNBIFFOFUJKV-UHFFFAOYSA-N
XLogP8.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.46
LogP ≤ 58.03
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 (2,7-dibromo-9,10-dimethyl-10-trimethylsilyloxyphenanthren-9-yl)oxy-trimethylsilane?
The IUPAC name of (2,7-dibromo-9,10-dimethyl-10-trimethylsilyloxyphenanthren-9-yl)oxy-trimethylsilane (CID 23150363) is (2,7-dibromo-9,10-dimethyl-10-trimethylsilyloxyphenanthren-9-yl)oxy-trimethylsilane.
What is the SMILES notation for (2,7-dibromo-9,10-dimethyl-10-trimethylsilyloxyphenanthren-9-yl)oxy-trimethylsilane?
The canonical SMILES for (2,7-dibromo-9,10-dimethyl-10-trimethylsilyloxyphenanthren-9-yl)oxy-trimethylsilane is CC1(O[Si](C)(C)C)c2cc(Br)ccc2-c2ccc(Br)cc2C1(C)O[Si](C)(C)C.
What is the InChIKey of (2,7-dibromo-9,10-dimethyl-10-trimethylsilyloxyphenanthren-9-yl)oxy-trimethylsilane?
The InChIKey is DHRNBIFFOFUJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30Br2O2Si2/c1-21(25-27(3,4)5)19-13-15(23)9-11-17(19)18-12-10-16(24)14-20(18)22(21,2)26-28(6,7)8/h9-14H,1-8H3.
What are the key properties of (2,7-dibromo-9,10-dimethyl-10-trimethylsilyloxyphenanthren-9-yl)oxy-trimethylsilane?
(2,7-dibromo-9,10-dimethyl-10-trimethylsilyloxyphenanthren-9-yl)oxy-trimethylsilane has a molecular weight of 542.46 g/mol, XLogP of 8.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,7-dibromo-9,10-dimethyl-10-trimethylsilyloxyphenanthren-9-yl)oxy-trimethylsilane is sourced from PubChem (CID 23150363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).