CID 58942159

C20H24Br2O2Si2 — CID 58942159

IUPAC—
SMILESC[Si](C)OC1(C)c2cc(Br)ccc2-c2ccc(Br)cc2C1(C)O[Si](C)C
InChIInChI=1S/C20H24Br2O2Si2/c1-19(23-25(3)4)17-11-13(21)7-9-15(17)16-10-8-14(22)12-18(16)20(19,2)24-26(5)6/h7-12H,1-6H3
InChIKeyKFGXGYBHXQDXJQ-UHFFFAOYSA-N
MW512.39 g/mol
LogP6.86
Rot. Bonds4

About CID 58942159

CID 58942159 (PubChem CID 58942159) has the molecular formula C20H24Br2O2Si2 and a molecular weight of 512.39 g/mol.

Molecular Properties

Compound NameCID 58942159
PubChem CID58942159
Molecular FormulaC20H24Br2O2Si2
Molecular Weight512.39 g/mol
Exact Mass509.97
IUPAC Name—
SMILESC[Si](C)OC1(C)c2cc(Br)ccc2-c2ccc(Br)cc2C1(C)O[Si](C)C
InChIInChI=1S/C20H24Br2O2Si2/c1-19(23-25(3)4)17-11-13(21)7-9-15(17)16-10-8-14(22)12-18(16)20(19,2)24-26(5)6/h7-12H,1-6H3
InChIKeyKFGXGYBHXQDXJQ-UHFFFAOYSA-N
XLogP6.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.39
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,6-Dibromo-9,10-dimethyl-9,10-dihydrophenanthrene-9,10-diol
CID 13659222
2,3-Dibromo-9,10-dimethylanthracene-9,10-diol
CID 13008113
2-Bromo-9,10-dimethylanthracene-9,10-diol
CID 13640673
6-Bromo-1,2,3,4-tetrahydro-1,1-dimethyl-4-(t-butyldimethylsilyloxy)naphthalene
CID 22571526
CID 23150360
CID 23150360
Tributyl-[(2,7-dibromo-10-tributylsilyloxy-9,10-dihydrophenanthren-9-yl)oxy]silane
CID 23150362
(2,7-Dibromo-9,10-dimethyl-10-trimethylsilyloxyphenanthren-9-yl)oxy-trimethylsilane
CID 23150363
2,7-Dibromo-9,10-dihydroxy-9,10-dimethyl-9,10-dihydrophenanthrene
CID 23150364
2,7-Dibromo-9,10-dimethoxy-9,10-dimethylphenanthrene
CID 23150365
(2,7-Dibromo-10-trimethylsilyloxy-9,10-dihydrophenanthren-9-yl)oxy-trimethylsilane
CID 23150367
2,7-Dibromo-9,10-dimethoxy-9,10-dihydrophenanthrene
CID 23150368
Tert-butyl-[[2,7-dibromo-10-[tert-butyl(dimethyl)silyl]oxy-9,10-dihydrophenanthren-9-yl]oxy]-dimethylsilane
CID 23150369

Frequently Asked Questions

What is the IUPAC name of CID 58942159?
The IUPAC name of CID 58942159 (CID 58942159) is not available.
What is the SMILES notation for CID 58942159?
The canonical SMILES for CID 58942159 is C[Si](C)OC1(C)c2cc(Br)ccc2-c2ccc(Br)cc2C1(C)O[Si](C)C.
What is the InChIKey of CID 58942159?
The InChIKey is KFGXGYBHXQDXJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24Br2O2Si2/c1-19(23-25(3)4)17-11-13(21)7-9-15(17)16-10-8-14(22)12-18(16)20(19,2)24-26(5)6/h7-12H,1-6H3.
What are the key properties of CID 58942159?
CID 58942159 has a molecular weight of 512.39 g/mol, XLogP of 6.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58942159 is sourced from PubChem (CID 58942159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).