bis(hydroxy(triphenyl)silane);phenol;titanium

C48H44O4Si2Ti — CID 140942620

IUPACbis(hydroxy(triphenyl)silane);phenol;titanium
SMILESO[Si](c1ccccc1)(c1ccccc1)c1ccccc1.O[Si](c1ccccc1)(c1ccccc1)c1ccccc1.Oc1ccccc1.Oc1ccccc1.[Ti]
InChIInChI=1S/2C18H16OSi.2C6H6O.Ti/c2*19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*7-6-4-2-1-3-5-6;/h2*1-15,19H;2*1-5,7H;
InChIKeyAGYSOYOOUYFRPW-UHFFFAOYSA-N
MW788.92 g/mol
LogP6.07
Rot. Bonds6

About bis(hydroxy(triphenyl)silane);phenol;titanium

bis(hydroxy(triphenyl)silane);phenol;titanium (PubChem CID 140942620) has the molecular formula C48H44O4Si2Ti and a molecular weight of 788.92 g/mol. Its IUPAC name is bis(hydroxy(triphenyl)silane);phenol;titanium.

Molecular Properties

Compound Namebis(hydroxy(triphenyl)silane);phenol;titanium
PubChem CID140942620
Molecular FormulaC48H44O4Si2Ti
Molecular Weight788.92 g/mol
Exact Mass788.23
IUPAC Namebis(hydroxy(triphenyl)silane);phenol;titanium
SMILESO[Si](c1ccccc1)(c1ccccc1)c1ccccc1.O[Si](c1ccccc1)(c1ccccc1)c1ccccc1.Oc1ccccc1.Oc1ccccc1.[Ti]
InChIInChI=1S/2C18H16OSi.2C6H6O.Ti/c2*19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*7-6-4-2-1-3-5-6;/h2*1-15,19H;2*1-5,7H;
InChIKeyAGYSOYOOUYFRPW-UHFFFAOYSA-N
XLogP6.07
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500788.92
LogP ≤ 56.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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

hydroxy(triphenyl)silane;phenol;titanium
CID 140942435
hydroxy(triphenyl)silane
CID 139058622
tris(hydroxy(triphenyl)silane);molybdenum
CID 140735235
phenol;bis(yttrium)
CID 59089942
molybdenum;phenol
CID 154246724
argon;phenol
CID 159678450
CID 67496590
CID 67496590
phenol;tantalum
CID 19915613
neodymium;phenol
CID 154361260
phenol;titanium(2+)
CID 23042599
aluminum phenol
CID 19023057
CID 159904044
CID 159904044

Frequently Asked Questions

What is the IUPAC name of bis(hydroxy(triphenyl)silane);phenol;titanium?
The IUPAC name of bis(hydroxy(triphenyl)silane);phenol;titanium (CID 140942620) is bis(hydroxy(triphenyl)silane);phenol;titanium.
What is the SMILES notation for bis(hydroxy(triphenyl)silane);phenol;titanium?
The canonical SMILES for bis(hydroxy(triphenyl)silane);phenol;titanium is O[Si](c1ccccc1)(c1ccccc1)c1ccccc1.O[Si](c1ccccc1)(c1ccccc1)c1ccccc1.Oc1ccccc1.Oc1ccccc1.[Ti].
What is the InChIKey of bis(hydroxy(triphenyl)silane);phenol;titanium?
The InChIKey is AGYSOYOOUYFRPW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H16OSi.2C6H6O.Ti/c2*19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*7-6-4-2-1-3-5-6;/h2*1-15,19H;2*1-5,7H;.
What are the key properties of bis(hydroxy(triphenyl)silane);phenol;titanium?
bis(hydroxy(triphenyl)silane);phenol;titanium has a molecular weight of 788.92 g/mol, XLogP of 6.07, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(hydroxy(triphenyl)silane);phenol;titanium is sourced from PubChem (CID 140942620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).