dihydroxy(dioxo)chromium;ditritylsilane

C38H34CrO4Si — CID 159004940

IUPACdihydroxy(dioxo)chromium;ditritylsilane
SMILESO=[Cr](=O)(O)O.c1ccc(C([SiH2]C(c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C38H32Si.Cr.2H2O.2O/c1-7-19-31(20-8-1)37(32-21-9-2-10-22-32,33-23-11-3-12-24-33)39-38(34-25-13-4-14-26-34,35-27-15-5-16-28-35)36-29-17-6-18-30-36;;;;;/h1-30H,39H2;;2*1H2;;/q;+2;;;;/p-2
InChIKeyCGJWZBXTVPJGIU-UHFFFAOYSA-L
MW634.77 g/mol
LogP6.79
Rot. Bonds8

About dihydroxy(dioxo)chromium;ditritylsilane

dihydroxy(dioxo)chromium;ditritylsilane (PubChem CID 159004940) has the molecular formula C38H34CrO4Si and a molecular weight of 634.77 g/mol. Its IUPAC name is dihydroxy(dioxo)chromium;ditritylsilane.

Molecular Properties

Compound Namedihydroxy(dioxo)chromium;ditritylsilane
PubChem CID159004940
Molecular FormulaC38H34CrO4Si
Molecular Weight634.77 g/mol
Exact Mass634.16
IUPAC Namedihydroxy(dioxo)chromium;ditritylsilane
SMILESO=[Cr](=O)(O)O.c1ccc(C([SiH2]C(c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C38H32Si.Cr.2H2O.2O/c1-7-19-31(20-8-1)37(32-21-9-2-10-22-32,33-23-11-3-12-24-33)39-38(34-25-13-4-14-26-34,35-27-15-5-16-28-35)36-29-17-6-18-30-36;;;;;/h1-30H,39H2;;2*1H2;;/q;+2;;;;/p-2
InChIKeyCGJWZBXTVPJGIU-UHFFFAOYSA-L
XLogP6.79
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.77
LogP ≤ 56.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

dihydroxy(dioxo)chromium;bis(triphenylsilane)
CID 159722761
lithium bis(tritylsilyl)azanide
CID 172712508
trichloro(tritylsilyl)silane
CID 175416537
(2R,3R)-2,3-dihydroxy-2,3-diphenylbutanedioic acid
CID 101336799
(2S,3S)-2,3-dihydroxy-2,3-diphenylbutanedioic acid
CID 101336800
diphenylmethanediol;dihydrochloride
CID 174953837
3,3-diphenylpentanediamide
CID 141227643
2,2-diphenyl-3-phosphanylpropanoic acid
CID 21269236
1,1-diphenylpropyl(oxo)phosphanium
CID 154152930
[acetyloxy(diphenyl)methyl]-oxosulfanium
CID 174491893
(1,1,2,2-tetraphenyl-2-phosphonoethyl)phosphonic acid
CID 23199837
2,2-dibromo-2-phenylacetyl chloride
CID 56990356

Frequently Asked Questions

What is the IUPAC name of dihydroxy(dioxo)chromium;ditritylsilane?
The IUPAC name of dihydroxy(dioxo)chromium;ditritylsilane (CID 159004940) is dihydroxy(dioxo)chromium;ditritylsilane.
What is the SMILES notation for dihydroxy(dioxo)chromium;ditritylsilane?
The canonical SMILES for dihydroxy(dioxo)chromium;ditritylsilane is O=[Cr](=O)(O)O.c1ccc(C([SiH2]C(c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of dihydroxy(dioxo)chromium;ditritylsilane?
The InChIKey is CGJWZBXTVPJGIU-UHFFFAOYSA-L. The full InChI is InChI=1S/C38H32Si.Cr.2H2O.2O/c1-7-19-31(20-8-1)37(32-21-9-2-10-22-32,33-23-11-3-12-24-33)39-38(34-25-13-4-14-26-34,35-27-15-5-16-28-35)36-29-17-6-18-30-36;;;;;/h1-30H,39H2;;2*1H2;;/q;+2;;;;/p-2.
What are the key properties of dihydroxy(dioxo)chromium;ditritylsilane?
dihydroxy(dioxo)chromium;ditritylsilane has a molecular weight of 634.77 g/mol, XLogP of 6.79, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy(dioxo)chromium;ditritylsilane is sourced from PubChem (CID 159004940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).