(2,7-dibromo-10-trimethylsilyloxy-9,10-dihydrophenanthren-9-yl)oxy-trimethylsilane

C20H26Br2O2Si2 — CID 23150367

IUPAC(2,7-dibromo-10-trimethylsilyloxy-9,10-dihydrophenanthren-9-yl)oxy-trimethylsilane
SMILESC[Si](C)(C)OC1c2cc(Br)ccc2-c2ccc(Br)cc2C1O[Si](C)(C)C
InChIInChI=1S/C20H26Br2O2Si2/c1-25(2,3)23-19-17-11-13(21)7-9-15(17)16-10-8-14(22)12-18(16)20(19)24-26(4,5)6/h7-12,19-20H,1-6H3
InChIKeyNWKHKROGVJVKJS-UHFFFAOYSA-N
MW514.41 g/mol
LogP7.68
Rot. Bonds4

About (2,7-dibromo-10-trimethylsilyloxy-9,10-dihydrophenanthren-9-yl)oxy-trimethylsilane

(2,7-dibromo-10-trimethylsilyloxy-9,10-dihydrophenanthren-9-yl)oxy-trimethylsilane (PubChem CID 23150367) has the molecular formula C20H26Br2O2Si2 and a molecular weight of 514.41 g/mol. Its IUPAC name is (2,7-dibromo-10-trimethylsilyloxy-9,10-dihydrophenanthren-9-yl)oxy-trimethylsilane.

Molecular Properties

Compound Name(2,7-dibromo-10-trimethylsilyloxy-9,10-dihydrophenanthren-9-yl)oxy-trimethylsilane
PubChem CID23150367
Molecular FormulaC20H26Br2O2Si2
Molecular Weight514.41 g/mol
Exact Mass511.98
IUPAC Name(2,7-dibromo-10-trimethylsilyloxy-9,10-dihydrophenanthren-9-yl)oxy-trimethylsilane
SMILESC[Si](C)(C)OC1c2cc(Br)ccc2-c2ccc(Br)cc2C1O[Si](C)(C)C
InChIInChI=1S/C20H26Br2O2Si2/c1-25(2,3)23-19-17-11-13(21)7-9-15(17)16-10-8-14(22)12-18(16)20(19)24-26(4,5)6/h7-12,19-20H,1-6H3
InChIKeyNWKHKROGVJVKJS-UHFFFAOYSA-N
XLogP7.68
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.41
LogP ≤ 57.68
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
(7-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)oxy-(1-fluorobutyl)-dimethylsilane
CID 67721113
cis-Phenanthrene, 9,10-dihydro-9,10-diol, bis-TMS
CID 6427236
cis-Phenanthrene, 9,10-dihydro-9-methyl-9,10-diol, bis-TMS
CID 6427252
trans-Phenanthrene, 9,10-dihydro-9,10-diol, bis-TMS
CID 6427272
Silane, [(6-bromo-2-naphthalenyl)methoxy](1,1-dimethylethyl)dimethyl-
CID 13473071
[(3-Bromophenanthren-9-YL)methoxy](tert-butyl)dimethylsilane
CID 15159130
(6-Bromophenanthren-2-yl)methoxy-tert-butyl-dimethylsilane
CID 15159140
6-Bromo-1,2,3,4-tetrahydro-1,1-dimethyl-4-(t-butyldimethylsilyloxy)naphthalene
CID 22571526
CID 23150360
CID 23150360
2,7-Dibromo-9,10-dihydrophenanthrene-9,10-diol
CID 23150361
Tributyl-[(2,7-dibromo-10-tributylsilyloxy-9,10-dihydrophenanthren-9-yl)oxy]silane
CID 23150362

Frequently Asked Questions

What is the IUPAC name of (2,7-dibromo-10-trimethylsilyloxy-9,10-dihydrophenanthren-9-yl)oxy-trimethylsilane?
The IUPAC name of (2,7-dibromo-10-trimethylsilyloxy-9,10-dihydrophenanthren-9-yl)oxy-trimethylsilane (CID 23150367) is (2,7-dibromo-10-trimethylsilyloxy-9,10-dihydrophenanthren-9-yl)oxy-trimethylsilane.
What is the SMILES notation for (2,7-dibromo-10-trimethylsilyloxy-9,10-dihydrophenanthren-9-yl)oxy-trimethylsilane?
The canonical SMILES for (2,7-dibromo-10-trimethylsilyloxy-9,10-dihydrophenanthren-9-yl)oxy-trimethylsilane is C[Si](C)(C)OC1c2cc(Br)ccc2-c2ccc(Br)cc2C1O[Si](C)(C)C.
What is the InChIKey of (2,7-dibromo-10-trimethylsilyloxy-9,10-dihydrophenanthren-9-yl)oxy-trimethylsilane?
The InChIKey is NWKHKROGVJVKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26Br2O2Si2/c1-25(2,3)23-19-17-11-13(21)7-9-15(17)16-10-8-14(22)12-18(16)20(19)24-26(4,5)6/h7-12,19-20H,1-6H3.
What are the key properties of (2,7-dibromo-10-trimethylsilyloxy-9,10-dihydrophenanthren-9-yl)oxy-trimethylsilane?
(2,7-dibromo-10-trimethylsilyloxy-9,10-dihydrophenanthren-9-yl)oxy-trimethylsilane has a molecular weight of 514.41 g/mol, XLogP of 7.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,7-dibromo-10-trimethylsilyloxy-9,10-dihydrophenanthren-9-yl)oxy-trimethylsilane is sourced from PubChem (CID 23150367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).