hydroxy-tri(phenanthren-4-yl)silane

C42H28OSi — CID 15936214

IUPAChydroxy-tri(phenanthren-4-yl)silane
SMILESO[Si](c1cccc2ccc3ccccc3c12)(c1cccc2ccc3ccccc3c12)c1cccc2ccc3ccccc3c12
InChIInChI=1S/C42H28OSi/c43-44(37-19-7-13-31-25-22-28-10-1-4-16-34(28)40(31)37,38-20-8-14-32-26-23-29-11-2-5-17-35(29)41(32)38)39-21-9-15-33-27-24-30-12-3-6-18-36(30)42(33)39/h1-27,43H
InChIKeyXLPAYROMPKQJOL-UHFFFAOYSA-N
MW576.77 g/mol
LogP8.56
Rot. Bonds3

About hydroxy-tri(phenanthren-4-yl)silane

hydroxy-tri(phenanthren-4-yl)silane (PubChem CID 15936214) has the molecular formula C42H28OSi and a molecular weight of 576.77 g/mol. Its IUPAC name is hydroxy-tri(phenanthren-4-yl)silane.

Molecular Properties

Compound Namehydroxy-tri(phenanthren-4-yl)silane
PubChem CID15936214
Molecular FormulaC42H28OSi
Molecular Weight576.77 g/mol
Exact Mass576.19
IUPAC Namehydroxy-tri(phenanthren-4-yl)silane
SMILESO[Si](c1cccc2ccc3ccccc3c12)(c1cccc2ccc3ccccc3c12)c1cccc2ccc3ccccc3c12
InChIInChI=1S/C42H28OSi/c43-44(37-19-7-13-31-25-22-28-10-1-4-16-34(28)40(31)37,38-20-8-14-32-26-23-29-11-2-5-17-35(29)41(32)38)39-21-9-15-33-27-24-30-12-3-6-18-36(30)42(33)39/h1-27,43H
InChIKeyXLPAYROMPKQJOL-UHFFFAOYSA-N
XLogP8.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.77
LogP ≤ 58.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of hydroxy-tri(phenanthren-4-yl)silane?
The IUPAC name of hydroxy-tri(phenanthren-4-yl)silane (CID 15936214) is hydroxy-tri(phenanthren-4-yl)silane.
What is the SMILES notation for hydroxy-tri(phenanthren-4-yl)silane?
The canonical SMILES for hydroxy-tri(phenanthren-4-yl)silane is O[Si](c1cccc2ccc3ccccc3c12)(c1cccc2ccc3ccccc3c12)c1cccc2ccc3ccccc3c12.
What is the InChIKey of hydroxy-tri(phenanthren-4-yl)silane?
The InChIKey is XLPAYROMPKQJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28OSi/c43-44(37-19-7-13-31-25-22-28-10-1-4-16-34(28)40(31)37,38-20-8-14-32-26-23-29-11-2-5-17-35(29)41(32)38)39-21-9-15-33-27-24-30-12-3-6-18-36(30)42(33)39/h1-27,43H.
What are the key properties of hydroxy-tri(phenanthren-4-yl)silane?
hydroxy-tri(phenanthren-4-yl)silane has a molecular weight of 576.77 g/mol, XLogP of 8.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-tri(phenanthren-4-yl)silane is sourced from PubChem (CID 15936214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).