bromo-[[3-[tert-butyl(diphenyl)silyl]oxy-4-methoxyphenyl]methyl]-triphenyl-λ5-phosphane;tert-butyl-[5-[(Z)-2-[3-[tert-butyl(dimethyl)silyl]oxy-4,5-dimethoxyphenyl]ethenyl]-2-methoxyphenoxy]-diphenylsilane

C81H92BrO7PSi3 — CID 158729815

IUPACbromo-[[3-[tert-butyl(diphenyl)silyl]oxy-4-methoxyphenyl]methyl]-triphenyl-λ5-phosphane;tert-butyl-[5-[(Z)-2-[3-[tert-butyl(dimethyl)silyl]oxy-4,5-dimethoxyphenyl]ethenyl]-2-methoxyphenoxy]-diphenylsilane
SMILESCOc1ccc(/C=C\c2cc(OC)c(OC)c(O[Si](C)(C)C(C)(C)C)c2)cc1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.COc1ccc(CP(Br)(c2ccccc2)(c2ccccc2)c2ccccc2)cc1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C42H42BrO2PSi.C39H50O5Si2/c1-42(2,3)47(38-26-16-8-17-27-38,39-28-18-9-19-29-39)45-41-32-34(30-31-40(41)44-4)33-46(43,35-20-10-5-11-21-35,36-22-12-6-13-23-36)37-24-14-7-15-25-37;1-38(2,3)45(10,11)43-36-28-30(27-35(41-8)37(36)42-9)23-22-29-24-25-33(40-7)34(26-29)44-46(39(4,5)6,31-18-14-12-15-19-31)32-20-16-13-17-21-32/h5-32H,33H2,1-4H3;12-28H,1-11H3/b;23-22-
InChIKeyIKYLOSCXKURLIM-CZVGBUOJSA-N
MW1372.76 g/mol
LogP18.18
Rot. Bonds21

About bromo-[[3-[tert-butyl(diphenyl)silyl]oxy-4-methoxyphenyl]methyl]-triphenyl-λ5-phosphane;tert-butyl-[5-[(Z)-2-[3-[tert-butyl(dimethyl)silyl]oxy-4,5-dimethoxyphenyl]ethenyl]-2-methoxyphenoxy]-diphenylsilane

bromo-[[3-[tert-butyl(diphenyl)silyl]oxy-4-methoxyphenyl]methyl]-triphenyl-λ5-phosphane;tert-butyl-[5-[(Z)-2-[3-[tert-butyl(dimethyl)silyl]oxy-4,5-dimethoxyphenyl]ethenyl]-2-methoxyphenoxy]-diphenylsilane (PubChem CID 158729815) has the molecular formula C81H92BrO7PSi3 and a molecular weight of 1372.76 g/mol. Its IUPAC name is bromo-[[3-[tert-butyl(diphenyl)silyl]oxy-4-methoxyphenyl]methyl]-triphenyl-λ5-phosphane;tert-butyl-[5-[(Z)-2-[3-[tert-butyl(dimethyl)silyl]oxy-4,5-dimethoxyphenyl]ethenyl]-2-methoxyphenoxy]-diphenylsilane.

Molecular Properties

Compound Namebromo-[[3-[tert-butyl(diphenyl)silyl]oxy-4-methoxyphenyl]methyl]-triphenyl-λ5-phosphane;tert-butyl-[5-[(Z)-2-[3-[tert-butyl(dimethyl)silyl]oxy-4,5-dimethoxyphenyl]ethenyl]-2-methoxyphenoxy]-diphenylsilane
PubChem CID158729815
Molecular FormulaC81H92BrO7PSi3
Molecular Weight1372.76 g/mol
Exact Mass1370.51
IUPAC Namebromo-[[3-[tert-butyl(diphenyl)silyl]oxy-4-methoxyphenyl]methyl]-triphenyl-λ5-phosphane;tert-butyl-[5-[(Z)-2-[3-[tert-butyl(dimethyl)silyl]oxy-4,5-dimethoxyphenyl]ethenyl]-2-methoxyphenoxy]-diphenylsilane
SMILESCOc1ccc(/C=C\c2cc(OC)c(OC)c(O[Si](C)(C)C(C)(C)C)c2)cc1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.COc1ccc(CP(Br)(c2ccccc2)(c2ccccc2)c2ccccc2)cc1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C42H42BrO2PSi.C39H50O5Si2/c1-42(2,3)47(38-26-16-8-17-27-38,39-28-18-9-19-29-39)45-41-32-34(30-31-40(41)44-4)33-46(43,35-20-10-5-11-21-35,36-22-12-6-13-23-36)37-24-14-7-15-25-37;1-38(2,3)45(10,11)43-36-28-30(27-35(41-8)37(36)42-9)23-22-29-24-25-33(40-7)34(26-29)44-46(39(4,5)6,31-18-14-12-15-19-31)32-20-16-13-17-21-32/h5-32H,33H2,1-4H3;12-28H,1-11H3/b;23-22-
InChIKeyIKYLOSCXKURLIM-CZVGBUOJSA-N
XLogP18.18
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds21
Heavy Atoms93
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001372.76
LogP ≤ 518.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[5-[(E)-2-(3-bromo-4,5-dimethoxyphenyl)ethenyl]-2-methoxyphenoxy]-tert-butyl-diphenylsilane
CID 11635755
tert-butyl-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]-dimethylsilane
CID 5386557
tert-butyl-[5-[(Z)-2-(3,4-dimethoxy-5-nitrophenyl)ethenyl]-2-methoxyphenoxy]-dimethylsilane
CID 59904656
bromo-[[3-[tert-butyl(diphenyl)silyl]oxy-4-methoxyphenyl]methyl]-phosphanylphosphane;ethane
CID 91177193
tert-butyl-[3-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]propoxy]-dimethylsilane
CID 11156035
4-[tert-butyl(diphenyl)silyl]oxy-3-methoxybenzaldehyde
CID 11395179
2-[(E)-2-[3,4-bis(methoxymethoxy)phenyl]ethenyl]-1,3-thiazole;[3,4-bis(methoxymethoxy)phenyl]methyl-bromo-triphenyl-λ5-phosphane;1,3-thiazole-2-carbaldehyde
CID 158854186
tert-butyl-[5-[(Z)-2-(4,7-dimethoxy-1,3-benzodioxol-5-yl)ethenyl]-2-methoxyphenoxy]-dimethylsilane
CID 50900668
(E)-5-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]-1-phenylpent-4-ene-1,3-dione
CID 59028477
bromo-[(3,4-dimethoxyphenyl)methyl]-triphenyl-λ5-phosphane;3-[2-(3,4-dimethoxyphenyl)ethenyl]-6-[3-methoxy-4-(methoxymethoxy)phenyl]-1-methylindazole;3-methoxy-6-[3-methoxy-4-(methoxymethoxy)phenyl]-1-methylindazole
CID 158304903
N-[[3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyphenyl]methylidene]hydroxylamine
CID 72751377
tert-butyl-[5-[(E)-2-(3-iodo-4,5-dimethoxyphenyl)ethenyl]-2-methoxyphenyl]-diphenylsilane
CID 87610939

Frequently Asked Questions

What is the IUPAC name of bromo-[[3-[tert-butyl(diphenyl)silyl]oxy-4-methoxyphenyl]methyl]-triphenyl-λ5-phosphane;tert-butyl-[5-[(Z)-2-[3-[tert-butyl(dimethyl)silyl]oxy-4,5-dimethoxyphenyl]ethenyl]-2-methoxyphenoxy]-diphenylsilane?
The IUPAC name of bromo-[[3-[tert-butyl(diphenyl)silyl]oxy-4-methoxyphenyl]methyl]-triphenyl-λ5-phosphane;tert-butyl-[5-[(Z)-2-[3-[tert-butyl(dimethyl)silyl]oxy-4,5-dimethoxyphenyl]ethenyl]-2-methoxyphenoxy]-diphenylsilane (CID 158729815) is bromo-[[3-[tert-butyl(diphenyl)silyl]oxy-4-methoxyphenyl]methyl]-triphenyl-λ5-phosphane;tert-butyl-[5-[(Z)-2-[3-[tert-butyl(dimethyl)silyl]oxy-4,5-dimethoxyphenyl]ethenyl]-2-methoxyphenoxy]-diphenylsilane.
What is the SMILES notation for bromo-[[3-[tert-butyl(diphenyl)silyl]oxy-4-methoxyphenyl]methyl]-triphenyl-λ5-phosphane;tert-butyl-[5-[(Z)-2-[3-[tert-butyl(dimethyl)silyl]oxy-4,5-dimethoxyphenyl]ethenyl]-2-methoxyphenoxy]-diphenylsilane?
The canonical SMILES for bromo-[[3-[tert-butyl(diphenyl)silyl]oxy-4-methoxyphenyl]methyl]-triphenyl-λ5-phosphane;tert-butyl-[5-[(Z)-2-[3-[tert-butyl(dimethyl)silyl]oxy-4,5-dimethoxyphenyl]ethenyl]-2-methoxyphenoxy]-diphenylsilane is COc1ccc(/C=C\c2cc(OC)c(OC)c(O[Si](C)(C)C(C)(C)C)c2)cc1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.COc1ccc(CP(Br)(c2ccccc2)(c2ccccc2)c2ccccc2)cc1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of bromo-[[3-[tert-butyl(diphenyl)silyl]oxy-4-methoxyphenyl]methyl]-triphenyl-λ5-phosphane;tert-butyl-[5-[(Z)-2-[3-[tert-butyl(dimethyl)silyl]oxy-4,5-dimethoxyphenyl]ethenyl]-2-methoxyphenoxy]-diphenylsilane?
The InChIKey is IKYLOSCXKURLIM-CZVGBUOJSA-N. The full InChI is InChI=1S/C42H42BrO2PSi.C39H50O5Si2/c1-42(2,3)47(38-26-16-8-17-27-38,39-28-18-9-19-29-39)45-41-32-34(30-31-40(41)44-4)33-46(43,35-20-10-5-11-21-35,36-22-12-6-13-23-36)37-24-14-7-15-25-37;1-38(2,3)45(10,11)43-36-28-30(27-35(41-8)37(36)42-9)23-22-29-24-25-33(40-7)34(26-29)44-46(39(4,5)6,31-18-14-12-15-19-31)32-20-16-13-17-21-32/h5-32H,33H2,1-4H3;12-28H,1-11H3/b;23-22-.
What are the key properties of bromo-[[3-[tert-butyl(diphenyl)silyl]oxy-4-methoxyphenyl]methyl]-triphenyl-λ5-phosphane;tert-butyl-[5-[(Z)-2-[3-[tert-butyl(dimethyl)silyl]oxy-4,5-dimethoxyphenyl]ethenyl]-2-methoxyphenoxy]-diphenylsilane?
bromo-[[3-[tert-butyl(diphenyl)silyl]oxy-4-methoxyphenyl]methyl]-triphenyl-λ5-phosphane;tert-butyl-[5-[(Z)-2-[3-[tert-butyl(dimethyl)silyl]oxy-4,5-dimethoxyphenyl]ethenyl]-2-methoxyphenoxy]-diphenylsilane has a molecular weight of 1372.76 g/mol, XLogP of 18.18, 21 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bromo-[[3-[tert-butyl(diphenyl)silyl]oxy-4-methoxyphenyl]methyl]-triphenyl-λ5-phosphane;tert-butyl-[5-[(Z)-2-[3-[tert-butyl(dimethyl)silyl]oxy-4,5-dimethoxyphenyl]ethenyl]-2-methoxyphenoxy]-diphenylsilane is sourced from PubChem (CID 158729815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).