[2-[(3-bromophenyl)methyl]phenyl]-[[2-[(3-bromophenyl)methyl]phenyl]-tert-butyl-phenylsilyl]oxy-tert-butyl-phenylsilane

C46H48Br2OSi2 — CID 142646296

IUPAC[2-[(3-bromophenyl)methyl]phenyl]-[[2-[(3-bromophenyl)methyl]phenyl]-tert-butyl-phenylsilyl]oxy-tert-butyl-phenylsilane
SMILESCC(C)(C)[Si](O[Si](c1ccccc1)(c1ccccc1Cc1cccc(Br)c1)C(C)(C)C)(c1ccccc1)c1ccccc1Cc1cccc(Br)c1
InChIInChI=1S/C46H48Br2OSi2/c1-45(2,3)50(41-25-9-7-10-26-41,43-29-15-13-21-37(43)31-35-19-17-23-39(47)33-35)49-51(46(4,5)6,42-27-11-8-12-28-42)44-30-16-14-22-38(44)32-36-20-18-24-40(48)34-36/h7-30,33-34H,31-32H2,1-6H3
InChIKeyUSLMOFXNYMGMSI-UHFFFAOYSA-N
MW832.87 g/mol
LogP10.83
Rot. Bonds10

About [2-[(3-bromophenyl)methyl]phenyl]-[[2-[(3-bromophenyl)methyl]phenyl]-tert-butyl-phenylsilyl]oxy-tert-butyl-phenylsilane

[2-[(3-bromophenyl)methyl]phenyl]-[[2-[(3-bromophenyl)methyl]phenyl]-tert-butyl-phenylsilyl]oxy-tert-butyl-phenylsilane (PubChem CID 142646296) has the molecular formula C46H48Br2OSi2 and a molecular weight of 832.87 g/mol. Its IUPAC name is [2-[(3-bromophenyl)methyl]phenyl]-[[2-[(3-bromophenyl)methyl]phenyl]-tert-butyl-phenylsilyl]oxy-tert-butyl-phenylsilane.

Molecular Properties

Compound Name[2-[(3-bromophenyl)methyl]phenyl]-[[2-[(3-bromophenyl)methyl]phenyl]-tert-butyl-phenylsilyl]oxy-tert-butyl-phenylsilane
PubChem CID142646296
Molecular FormulaC46H48Br2OSi2
Molecular Weight832.87 g/mol
Exact Mass830.16
IUPAC Name[2-[(3-bromophenyl)methyl]phenyl]-[[2-[(3-bromophenyl)methyl]phenyl]-tert-butyl-phenylsilyl]oxy-tert-butyl-phenylsilane
SMILESCC(C)(C)[Si](O[Si](c1ccccc1)(c1ccccc1Cc1cccc(Br)c1)C(C)(C)C)(c1ccccc1)c1ccccc1Cc1cccc(Br)c1
InChIInChI=1S/C46H48Br2OSi2/c1-45(2,3)50(41-25-9-7-10-26-41,43-29-15-13-21-37(43)31-35-19-17-23-39(47)33-35)49-51(46(4,5)6,42-27-11-8-12-28-42)44-30-16-14-22-38(44)32-36-20-18-24-40(48)34-36/h7-30,33-34H,31-32H2,1-6H3
InChIKeyUSLMOFXNYMGMSI-UHFFFAOYSA-N
XLogP10.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500832.87
LogP ≤ 510.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(3-bromophenyl)butoxy-tert-butyl-diphenylsilane
CID 69439190
2-bromo-1-[(3-bromophenyl)methyl]-3-methylbenzene
CID 123745360
[2-[(3-bromophenyl)methyl]-5-methoxyphenoxy]-tert-butyl-dimethylsilane
CID 140869039
[2-[(3-methoxyphenyl)methyl]phenyl]-trimethylsilane
CID 171716633
2-bromo-6-[[tert-butyl(diphenyl)silyl]oxymethyl]aniline
CID 153278666
[2-[(3-bromophenyl)methyl]phenyl]-diphenylphosphane;hydrobromide
CID 172741829
ethyl (E)-2-(3-bromophenyl)-3-[tert-butyl(diphenyl)silyl]oxyprop-2-enoate
CID 177389102
(2-bromo-4-pyridinyl)methoxy-tert-butyl-diphenylsilane
CID 10670102
1-(3-bromophenyl)-N-methyl-3-(2-methylphenyl)propan-2-amine
CID 60819427
2-(3-bromophenyl)ethoxy-tert-butyl-dimethylsilane
CID 11515183
N-[(3-bromophenyl)methyl]aniline;hydrochloride
CID 69090735
1-[tert-butyl(diphenyl)silyl]oxy-3-phenylpropan-2-one
CID 91136770

Frequently Asked Questions

What is the IUPAC name of [2-[(3-bromophenyl)methyl]phenyl]-[[2-[(3-bromophenyl)methyl]phenyl]-tert-butyl-phenylsilyl]oxy-tert-butyl-phenylsilane?
The IUPAC name of [2-[(3-bromophenyl)methyl]phenyl]-[[2-[(3-bromophenyl)methyl]phenyl]-tert-butyl-phenylsilyl]oxy-tert-butyl-phenylsilane (CID 142646296) is [2-[(3-bromophenyl)methyl]phenyl]-[[2-[(3-bromophenyl)methyl]phenyl]-tert-butyl-phenylsilyl]oxy-tert-butyl-phenylsilane.
What is the SMILES notation for [2-[(3-bromophenyl)methyl]phenyl]-[[2-[(3-bromophenyl)methyl]phenyl]-tert-butyl-phenylsilyl]oxy-tert-butyl-phenylsilane?
The canonical SMILES for [2-[(3-bromophenyl)methyl]phenyl]-[[2-[(3-bromophenyl)methyl]phenyl]-tert-butyl-phenylsilyl]oxy-tert-butyl-phenylsilane is CC(C)(C)[Si](O[Si](c1ccccc1)(c1ccccc1Cc1cccc(Br)c1)C(C)(C)C)(c1ccccc1)c1ccccc1Cc1cccc(Br)c1.
What is the InChIKey of [2-[(3-bromophenyl)methyl]phenyl]-[[2-[(3-bromophenyl)methyl]phenyl]-tert-butyl-phenylsilyl]oxy-tert-butyl-phenylsilane?
The InChIKey is USLMOFXNYMGMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H48Br2OSi2/c1-45(2,3)50(41-25-9-7-10-26-41,43-29-15-13-21-37(43)31-35-19-17-23-39(47)33-35)49-51(46(4,5)6,42-27-11-8-12-28-42)44-30-16-14-22-38(44)32-36-20-18-24-40(48)34-36/h7-30,33-34H,31-32H2,1-6H3.
What are the key properties of [2-[(3-bromophenyl)methyl]phenyl]-[[2-[(3-bromophenyl)methyl]phenyl]-tert-butyl-phenylsilyl]oxy-tert-butyl-phenylsilane?
[2-[(3-bromophenyl)methyl]phenyl]-[[2-[(3-bromophenyl)methyl]phenyl]-tert-butyl-phenylsilyl]oxy-tert-butyl-phenylsilane has a molecular weight of 832.87 g/mol, XLogP of 10.83, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-bromophenyl)methyl]phenyl]-[[2-[(3-bromophenyl)methyl]phenyl]-tert-butyl-phenylsilyl]oxy-tert-butyl-phenylsilane is sourced from PubChem (CID 142646296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).