triethyl-(9-triethylsilylchrysen-3-yl)silane

C30H40Si2 — CID 58362227

IUPACtriethyl-(9-triethylsilylchrysen-3-yl)silane
SMILESCC[Si](CC)(CC)c1ccc2ccc3c4cc([Si](CC)(CC)CC)ccc4ccc3c2c1
InChIInChI=1S/C30H40Si2/c1-7-31(8-2,9-3)25-17-13-23-15-20-28-27(29(23)21-25)19-16-24-14-18-26(22-30(24)28)32(10-4,11-5)12-6/h13-22H,7-12H2,1-6H3
InChIKeyDIHRWTODYBNNGZ-UHFFFAOYSA-N
MW456.82 g/mol
LogP8.58
Rot. Bonds8

About triethyl-(9-triethylsilylchrysen-3-yl)silane

triethyl-(9-triethylsilylchrysen-3-yl)silane (PubChem CID 58362227) has the molecular formula C30H40Si2 and a molecular weight of 456.82 g/mol. Its IUPAC name is triethyl-(9-triethylsilylchrysen-3-yl)silane.

Molecular Properties

Compound Nametriethyl-(9-triethylsilylchrysen-3-yl)silane
PubChem CID58362227
Molecular FormulaC30H40Si2
Molecular Weight456.82 g/mol
Exact Mass456.27
IUPAC Nametriethyl-(9-triethylsilylchrysen-3-yl)silane
SMILESCC[Si](CC)(CC)c1ccc2ccc3c4cc([Si](CC)(CC)CC)ccc4ccc3c2c1
InChIInChI=1S/C30H40Si2/c1-7-31(8-2,9-3)25-17-13-23-15-20-28-27(29(23)21-25)19-16-24-14-18-26(22-30(24)28)32(10-4,11-5)12-6/h13-22H,7-12H2,1-6H3
InChIKeyDIHRWTODYBNNGZ-UHFFFAOYSA-N
XLogP8.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.82
LogP ≤ 58.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of triethyl-(9-triethylsilylchrysen-3-yl)silane?
The IUPAC name of triethyl-(9-triethylsilylchrysen-3-yl)silane (CID 58362227) is triethyl-(9-triethylsilylchrysen-3-yl)silane.
What is the SMILES notation for triethyl-(9-triethylsilylchrysen-3-yl)silane?
The canonical SMILES for triethyl-(9-triethylsilylchrysen-3-yl)silane is CC[Si](CC)(CC)c1ccc2ccc3c4cc([Si](CC)(CC)CC)ccc4ccc3c2c1.
What is the InChIKey of triethyl-(9-triethylsilylchrysen-3-yl)silane?
The InChIKey is DIHRWTODYBNNGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40Si2/c1-7-31(8-2,9-3)25-17-13-23-15-20-28-27(29(23)21-25)19-16-24-14-18-26(22-30(24)28)32(10-4,11-5)12-6/h13-22H,7-12H2,1-6H3.
What are the key properties of triethyl-(9-triethylsilylchrysen-3-yl)silane?
triethyl-(9-triethylsilylchrysen-3-yl)silane has a molecular weight of 456.82 g/mol, XLogP of 8.58, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-(9-triethylsilylchrysen-3-yl)silane is sourced from PubChem (CID 58362227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).