2-[[[(1R,2R)-2-[[2-hydroxy-3-[methyl(diphenyl)silyl]phenyl]methylamino]-1,2-diphenylethyl]amino]methyl]-6-[methyl(diphenyl)silyl]phenol

C54H52N2O2Si2 — CID 54159323

IUPAC2-[[[(1R,2R)-2-[[2-hydroxy-3-[methyl(diphenyl)silyl]phenyl]methylamino]-1,2-diphenylethyl]amino]methyl]-6-[methyl(diphenyl)silyl]phenol
SMILESC[Si](c1ccccc1)(c1ccccc1)c1cccc(CN[C@H](c2ccccc2)[C@H](NCc2cccc([Si](C)(c3ccccc3)c3ccccc3)c2O)c2ccccc2)c1O
InChIInChI=1S/C54H52N2O2Si2/c1-59(45-29-13-5-14-30-45,46-31-15-6-16-32-46)49-37-21-27-43(53(49)57)39-55-51(41-23-9-3-10-24-41)52(42-25-11-4-12-26-42)56-40-44-28-22-38-50(54(44)58)60(2,47-33-17-7-18-34-47)48-35-19-8-20-36-48/h3-38,51-52,55-58H,39-40H2,1-2H3/t51-,52-/m1/s1
InChIKeyONHRUIIIACXEGE-YWSWRHJRSA-N
MW817.19 g/mol
LogP7.66
Rot. Bonds15

About 2-[[[(1R,2R)-2-[[2-hydroxy-3-[methyl(diphenyl)silyl]phenyl]methylamino]-1,2-diphenylethyl]amino]methyl]-6-[methyl(diphenyl)silyl]phenol

2-[[[(1R,2R)-2-[[2-hydroxy-3-[methyl(diphenyl)silyl]phenyl]methylamino]-1,2-diphenylethyl]amino]methyl]-6-[methyl(diphenyl)silyl]phenol (PubChem CID 54159323) has the molecular formula C54H52N2O2Si2 and a molecular weight of 817.19 g/mol. Its IUPAC name is 2-[[[(1R,2R)-2-[[2-hydroxy-3-[methyl(diphenyl)silyl]phenyl]methylamino]-1,2-diphenylethyl]amino]methyl]-6-[methyl(diphenyl)silyl]phenol.

Molecular Properties

Compound Name2-[[[(1R,2R)-2-[[2-hydroxy-3-[methyl(diphenyl)silyl]phenyl]methylamino]-1,2-diphenylethyl]amino]methyl]-6-[methyl(diphenyl)silyl]phenol
PubChem CID54159323
Molecular FormulaC54H52N2O2Si2
Molecular Weight817.19 g/mol
Exact Mass816.36
IUPAC Name2-[[[(1R,2R)-2-[[2-hydroxy-3-[methyl(diphenyl)silyl]phenyl]methylamino]-1,2-diphenylethyl]amino]methyl]-6-[methyl(diphenyl)silyl]phenol
SMILESC[Si](c1ccccc1)(c1ccccc1)c1cccc(CN[C@H](c2ccccc2)[C@H](NCc2cccc([Si](C)(c3ccccc3)c3ccccc3)c2O)c2ccccc2)c1O
InChIInChI=1S/C54H52N2O2Si2/c1-59(45-29-13-5-14-30-45,46-31-15-6-16-32-46)49-37-21-27-43(53(49)57)39-55-51(41-23-9-3-10-24-41)52(42-25-11-4-12-26-42)56-40-44-28-22-38-50(54(44)58)60(2,47-33-17-7-18-34-47)48-35-19-8-20-36-48/h3-38,51-52,55-58H,39-40H2,1-2H3/t51-,52-/m1/s1
InChIKeyONHRUIIIACXEGE-YWSWRHJRSA-N
XLogP7.66
TPSA64.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500817.19
LogP ≤ 57.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 2-[[[(1R,2R)-2-[[2-hydroxy-3-[methyl(diphenyl)silyl]phenyl]methylamino]-1,2-diphenylethyl]amino]methyl]-6-[methyl(diphenyl)silyl]phenol with MolForge

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Related Compounds

CID 172792471
CID 172792471
2-[[(2-methyl-1-phenylpropyl)amino]methyl]phenol;hydrochloride
CID 51117351
N,N'-bis(naphthalen-1-ylmethyl)-1,2-diphenylethane-1,2-diamine
CID 66986622
2-[(2-hydroxy-3-triphenylsilylphenyl)methylamino]-3-methyl-1-pyrrolidin-1-ylbutan-1-one
CID 132539589
(2R)-2-[(2,3-dihydroxyphenyl)methylamino]propanoic acid
CID 94213234
1,2-diphenyl-N,N'-bis[(2,4,5-trimethylphenyl)methyl]ethane-1,2-diamine
CID 139633406
2-[(1-phenylethylamino)methyl]phenol
CID 3669487
2-[[(2,2-dimethyl-1-phenylpropyl)amino]methyl]-6-fluorophenol
CID 115951224
2-[[[(1R,2R)-2-[(2-hydroxy-5-phenylphenyl)methylamino]-1,2-diphenylethyl]amino]methyl]-4-phenylphenol
CID 102469425
(2R)-N,N'-bis[(2-diphenylphosphanylphenyl)methyl]-1,2-diphenylethane-1,2-diamine
CID 89057700
(1S)-2-methyl-1-phenyl-N-(quinolin-8-ylmethyl)propan-1-amine
CID 124823553
2-ethoxy-6-[(1-phenylethylamino)methyl]phenol
CID 43189900

Frequently Asked Questions

What is the IUPAC name of 2-[[[(1R,2R)-2-[[2-hydroxy-3-[methyl(diphenyl)silyl]phenyl]methylamino]-1,2-diphenylethyl]amino]methyl]-6-[methyl(diphenyl)silyl]phenol?
The IUPAC name of 2-[[[(1R,2R)-2-[[2-hydroxy-3-[methyl(diphenyl)silyl]phenyl]methylamino]-1,2-diphenylethyl]amino]methyl]-6-[methyl(diphenyl)silyl]phenol (CID 54159323) is 2-[[[(1R,2R)-2-[[2-hydroxy-3-[methyl(diphenyl)silyl]phenyl]methylamino]-1,2-diphenylethyl]amino]methyl]-6-[methyl(diphenyl)silyl]phenol.
What is the SMILES notation for 2-[[[(1R,2R)-2-[[2-hydroxy-3-[methyl(diphenyl)silyl]phenyl]methylamino]-1,2-diphenylethyl]amino]methyl]-6-[methyl(diphenyl)silyl]phenol?
The canonical SMILES for 2-[[[(1R,2R)-2-[[2-hydroxy-3-[methyl(diphenyl)silyl]phenyl]methylamino]-1,2-diphenylethyl]amino]methyl]-6-[methyl(diphenyl)silyl]phenol is C[Si](c1ccccc1)(c1ccccc1)c1cccc(CN[C@H](c2ccccc2)[C@H](NCc2cccc([Si](C)(c3ccccc3)c3ccccc3)c2O)c2ccccc2)c1O.
What is the InChIKey of 2-[[[(1R,2R)-2-[[2-hydroxy-3-[methyl(diphenyl)silyl]phenyl]methylamino]-1,2-diphenylethyl]amino]methyl]-6-[methyl(diphenyl)silyl]phenol?
The InChIKey is ONHRUIIIACXEGE-YWSWRHJRSA-N. The full InChI is InChI=1S/C54H52N2O2Si2/c1-59(45-29-13-5-14-30-45,46-31-15-6-16-32-46)49-37-21-27-43(53(49)57)39-55-51(41-23-9-3-10-24-41)52(42-25-11-4-12-26-42)56-40-44-28-22-38-50(54(44)58)60(2,47-33-17-7-18-34-47)48-35-19-8-20-36-48/h3-38,51-52,55-58H,39-40H2,1-2H3/t51-,52-/m1/s1.
What are the key properties of 2-[[[(1R,2R)-2-[[2-hydroxy-3-[methyl(diphenyl)silyl]phenyl]methylamino]-1,2-diphenylethyl]amino]methyl]-6-[methyl(diphenyl)silyl]phenol?
2-[[[(1R,2R)-2-[[2-hydroxy-3-[methyl(diphenyl)silyl]phenyl]methylamino]-1,2-diphenylethyl]amino]methyl]-6-[methyl(diphenyl)silyl]phenol has a molecular weight of 817.19 g/mol, XLogP of 7.66, 15 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[(1R,2R)-2-[[2-hydroxy-3-[methyl(diphenyl)silyl]phenyl]methylamino]-1,2-diphenylethyl]amino]methyl]-6-[methyl(diphenyl)silyl]phenol is sourced from PubChem (CID 54159323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).