tributyl-[(2,7-dibromo-10-tributylsilyloxy-9,10-dihydrophenanthren-9-yl)oxy]silane

C38H62Br2O2Si2 — CID 23150362

IUPACtributyl-[(2,7-dibromo-10-tributylsilyloxy-9,10-dihydrophenanthren-9-yl)oxy]silane
SMILESCCCC[Si](CCCC)(CCCC)OC1c2cc(Br)ccc2-c2ccc(Br)cc2C1O[Si](CCCC)(CCCC)CCCC
InChIInChI=1S/C38H62Br2O2Si2/c1-7-13-23-43(24-14-8-2,25-15-9-3)41-37-35-29-31(39)19-21-33(35)34-22-20-32(40)30-36(34)38(37)42-44(26-16-10-4,27-17-11-5)28-18-12-6/h19-22,29-30,37-38H,7-18,23-28H2,1-6H3
InChIKeyIDFWOGIZCUXGCD-UHFFFAOYSA-N
MW766.89 g/mol
LogP14.70
Rot. Bonds22

About tributyl-[(2,7-dibromo-10-tributylsilyloxy-9,10-dihydrophenanthren-9-yl)oxy]silane

tributyl-[(2,7-dibromo-10-tributylsilyloxy-9,10-dihydrophenanthren-9-yl)oxy]silane (PubChem CID 23150362) has the molecular formula C38H62Br2O2Si2 and a molecular weight of 766.89 g/mol. Its IUPAC name is tributyl-[(2,7-dibromo-10-tributylsilyloxy-9,10-dihydrophenanthren-9-yl)oxy]silane.

Molecular Properties

Compound Nametributyl-[(2,7-dibromo-10-tributylsilyloxy-9,10-dihydrophenanthren-9-yl)oxy]silane
PubChem CID23150362
Molecular FormulaC38H62Br2O2Si2
Molecular Weight766.89 g/mol
Exact Mass764.27
IUPAC Nametributyl-[(2,7-dibromo-10-tributylsilyloxy-9,10-dihydrophenanthren-9-yl)oxy]silane
SMILESCCCC[Si](CCCC)(CCCC)OC1c2cc(Br)ccc2-c2ccc(Br)cc2C1O[Si](CCCC)(CCCC)CCCC
InChIInChI=1S/C38H62Br2O2Si2/c1-7-13-23-43(24-14-8-2,25-15-9-3)41-37-35-29-31(39)19-21-33(35)34-22-20-32(40)30-36(34)38(37)42-44(26-16-10-4,27-17-11-5)28-18-12-6/h19-22,29-30,37-38H,7-18,23-28H2,1-6H3
InChIKeyIDFWOGIZCUXGCD-UHFFFAOYSA-N
XLogP14.70
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds22
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500766.89
LogP ≤ 514.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze tributyl-[(2,7-dibromo-10-tributylsilyloxy-9,10-dihydrophenanthren-9-yl)oxy]silane with MolForge

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Related Compounds

(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
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
CID 19826521
CID 19826521
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
(2,7-Dibromo-9,10-dimethyl-10-trimethylsilyloxyphenanthren-9-yl)oxy-trimethylsilane
CID 23150363
2,7-Dibromo-9,10-dimethoxy-9,10-dimethylphenanthrene
CID 23150365

Frequently Asked Questions

What is the IUPAC name of tributyl-[(2,7-dibromo-10-tributylsilyloxy-9,10-dihydrophenanthren-9-yl)oxy]silane?
The IUPAC name of tributyl-[(2,7-dibromo-10-tributylsilyloxy-9,10-dihydrophenanthren-9-yl)oxy]silane (CID 23150362) is tributyl-[(2,7-dibromo-10-tributylsilyloxy-9,10-dihydrophenanthren-9-yl)oxy]silane.
What is the SMILES notation for tributyl-[(2,7-dibromo-10-tributylsilyloxy-9,10-dihydrophenanthren-9-yl)oxy]silane?
The canonical SMILES for tributyl-[(2,7-dibromo-10-tributylsilyloxy-9,10-dihydrophenanthren-9-yl)oxy]silane is CCCC[Si](CCCC)(CCCC)OC1c2cc(Br)ccc2-c2ccc(Br)cc2C1O[Si](CCCC)(CCCC)CCCC.
What is the InChIKey of tributyl-[(2,7-dibromo-10-tributylsilyloxy-9,10-dihydrophenanthren-9-yl)oxy]silane?
The InChIKey is IDFWOGIZCUXGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H62Br2O2Si2/c1-7-13-23-43(24-14-8-2,25-15-9-3)41-37-35-29-31(39)19-21-33(35)34-22-20-32(40)30-36(34)38(37)42-44(26-16-10-4,27-17-11-5)28-18-12-6/h19-22,29-30,37-38H,7-18,23-28H2,1-6H3.
What are the key properties of tributyl-[(2,7-dibromo-10-tributylsilyloxy-9,10-dihydrophenanthren-9-yl)oxy]silane?
tributyl-[(2,7-dibromo-10-tributylsilyloxy-9,10-dihydrophenanthren-9-yl)oxy]silane has a molecular weight of 766.89 g/mol, XLogP of 14.70, 22 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[(2,7-dibromo-10-tributylsilyloxy-9,10-dihydrophenanthren-9-yl)oxy]silane is sourced from PubChem (CID 23150362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).