[(9S,10S)-2,7-dibromo-10-[dimethyl(phenyl)silyl]oxy-9,10-dihydrophenanthren-9-yl]oxy-dimethyl-phenylsilane

C30H30Br2O2Si2 — CID 67424912

IUPAC[(9S,10S)-2,7-dibromo-10-[dimethyl(phenyl)silyl]oxy-9,10-dihydrophenanthren-9-yl]oxy-dimethyl-phenylsilane
SMILESC[Si](C)(O[C@H]1c2cc(Br)ccc2-c2ccc(Br)cc2[C@@H]1O[Si](C)(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C30H30Br2O2Si2/c1-35(2,23-11-7-5-8-12-23)33-29-27-19-21(31)15-17-25(27)26-18-16-22(32)20-28(26)30(29)34-36(3,4)24-13-9-6-10-14-24/h5-20,29-30H,1-4H3/t29-,30-/m0/s1
InChIKeyCPKJVKMWIXMIDV-KYJUHHDHSA-N
MW638.55 g/mol
LogP8.23
Rot. Bonds6

About [(9S,10S)-2,7-dibromo-10-[dimethyl(phenyl)silyl]oxy-9,10-dihydrophenanthren-9-yl]oxy-dimethyl-phenylsilane

[(9S,10S)-2,7-dibromo-10-[dimethyl(phenyl)silyl]oxy-9,10-dihydrophenanthren-9-yl]oxy-dimethyl-phenylsilane (PubChem CID 67424912) has the molecular formula C30H30Br2O2Si2 and a molecular weight of 638.55 g/mol. Its IUPAC name is [(9S,10S)-2,7-dibromo-10-[dimethyl(phenyl)silyl]oxy-9,10-dihydrophenanthren-9-yl]oxy-dimethyl-phenylsilane.

Molecular Properties

Compound Name[(9S,10S)-2,7-dibromo-10-[dimethyl(phenyl)silyl]oxy-9,10-dihydrophenanthren-9-yl]oxy-dimethyl-phenylsilane
PubChem CID67424912
Molecular FormulaC30H30Br2O2Si2
Molecular Weight638.55 g/mol
Exact Mass636.02
IUPAC Name[(9S,10S)-2,7-dibromo-10-[dimethyl(phenyl)silyl]oxy-9,10-dihydrophenanthren-9-yl]oxy-dimethyl-phenylsilane
SMILESC[Si](C)(O[C@H]1c2cc(Br)ccc2-c2ccc(Br)cc2[C@@H]1O[Si](C)(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C30H30Br2O2Si2/c1-35(2,23-11-7-5-8-12-23)33-29-27-19-21(31)15-17-25(27)26-18-16-22(32)20-28(26)30(29)34-36(3,4)24-13-9-6-10-14-24/h5-20,29-30H,1-4H3/t29-,30-/m0/s1
InChIKeyCPKJVKMWIXMIDV-KYJUHHDHSA-N
XLogP8.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.55
LogP ≤ 58.23
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 [(9S,10S)-2,7-dibromo-10-[dimethyl(phenyl)silyl]oxy-9,10-dihydrophenanthren-9-yl]oxy-dimethyl-phenylsilane?
The IUPAC name of [(9S,10S)-2,7-dibromo-10-[dimethyl(phenyl)silyl]oxy-9,10-dihydrophenanthren-9-yl]oxy-dimethyl-phenylsilane (CID 67424912) is [(9S,10S)-2,7-dibromo-10-[dimethyl(phenyl)silyl]oxy-9,10-dihydrophenanthren-9-yl]oxy-dimethyl-phenylsilane.
What is the SMILES notation for [(9S,10S)-2,7-dibromo-10-[dimethyl(phenyl)silyl]oxy-9,10-dihydrophenanthren-9-yl]oxy-dimethyl-phenylsilane?
The canonical SMILES for [(9S,10S)-2,7-dibromo-10-[dimethyl(phenyl)silyl]oxy-9,10-dihydrophenanthren-9-yl]oxy-dimethyl-phenylsilane is C[Si](C)(O[C@H]1c2cc(Br)ccc2-c2ccc(Br)cc2[C@@H]1O[Si](C)(C)c1ccccc1)c1ccccc1.
What is the InChIKey of [(9S,10S)-2,7-dibromo-10-[dimethyl(phenyl)silyl]oxy-9,10-dihydrophenanthren-9-yl]oxy-dimethyl-phenylsilane?
The InChIKey is CPKJVKMWIXMIDV-KYJUHHDHSA-N. The full InChI is InChI=1S/C30H30Br2O2Si2/c1-35(2,23-11-7-5-8-12-23)33-29-27-19-21(31)15-17-25(27)26-18-16-22(32)20-28(26)30(29)34-36(3,4)24-13-9-6-10-14-24/h5-20,29-30H,1-4H3/t29-,30-/m0/s1.
What are the key properties of [(9S,10S)-2,7-dibromo-10-[dimethyl(phenyl)silyl]oxy-9,10-dihydrophenanthren-9-yl]oxy-dimethyl-phenylsilane?
[(9S,10S)-2,7-dibromo-10-[dimethyl(phenyl)silyl]oxy-9,10-dihydrophenanthren-9-yl]oxy-dimethyl-phenylsilane has a molecular weight of 638.55 g/mol, XLogP of 8.23, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(9S,10S)-2,7-dibromo-10-[dimethyl(phenyl)silyl]oxy-9,10-dihydrophenanthren-9-yl]oxy-dimethyl-phenylsilane is sourced from PubChem (CID 67424912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).