trimethyl-(7-trimethylsilylpyren-2-yl)silane

C22H26Si2 — CID 122203195

IUPACtrimethyl-(7-trimethylsilylpyren-2-yl)silane
SMILESC[Si](C)(C)c1cc2ccc3cc([Si](C)(C)C)cc4ccc(c1)c2c34
InChIInChI=1S/C22H26Si2/c1-23(2,3)19-11-15-7-9-17-13-20(24(4,5)6)14-18-10-8-16(12-19)21(15)22(17)18/h7-14H,1-6H3
InChIKeyOMZRXWMHLAIBQS-UHFFFAOYSA-N
MW346.62 g/mol
LogP5.67
Rot. Bonds2

About trimethyl-(7-trimethylsilylpyren-2-yl)silane

trimethyl-(7-trimethylsilylpyren-2-yl)silane (PubChem CID 122203195) has the molecular formula C22H26Si2 and a molecular weight of 346.62 g/mol. Its IUPAC name is trimethyl-(7-trimethylsilylpyren-2-yl)silane.

Molecular Properties

Compound Nametrimethyl-(7-trimethylsilylpyren-2-yl)silane
PubChem CID122203195
Molecular FormulaC22H26Si2
Molecular Weight346.62 g/mol
Exact Mass346.16
IUPAC Nametrimethyl-(7-trimethylsilylpyren-2-yl)silane
SMILESC[Si](C)(C)c1cc2ccc3cc([Si](C)(C)C)cc4ccc(c1)c2c34
InChIInChI=1S/C22H26Si2/c1-23(2,3)19-11-15-7-9-17-13-20(24(4,5)6)14-18-10-8-16(12-19)21(15)22(17)18/h7-14H,1-6H3
InChIKeyOMZRXWMHLAIBQS-UHFFFAOYSA-N
XLogP5.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.62
LogP ≤ 55.67
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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Related Compounds

Benzo[a]pyrene
CID 2336
Anthracene
CID 8418
Phenanthrene
CID 995
Pyrene
CID 31423
3-Methylcholanthrene
CID 1674
BENZ(a)ANTHRACENE
CID 5954
Benzo(ghi)perylene
CID 9117
Benzo(E)Pyrene
CID 9128
Chrysene
CID 9171
7,12-Dimethylbenz(a)anthracene
CID 6001
1-Methylpyrene
CID 16932
Dibenzo(a,l)pyrene
CID 9119

Frequently Asked Questions

What is the IUPAC name of trimethyl-(7-trimethylsilylpyren-2-yl)silane?
The IUPAC name of trimethyl-(7-trimethylsilylpyren-2-yl)silane (CID 122203195) is trimethyl-(7-trimethylsilylpyren-2-yl)silane.
What is the SMILES notation for trimethyl-(7-trimethylsilylpyren-2-yl)silane?
The canonical SMILES for trimethyl-(7-trimethylsilylpyren-2-yl)silane is C[Si](C)(C)c1cc2ccc3cc([Si](C)(C)C)cc4ccc(c1)c2c34.
What is the InChIKey of trimethyl-(7-trimethylsilylpyren-2-yl)silane?
The InChIKey is OMZRXWMHLAIBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26Si2/c1-23(2,3)19-11-15-7-9-17-13-20(24(4,5)6)14-18-10-8-16(12-19)21(15)22(17)18/h7-14H,1-6H3.
What are the key properties of trimethyl-(7-trimethylsilylpyren-2-yl)silane?
trimethyl-(7-trimethylsilylpyren-2-yl)silane has a molecular weight of 346.62 g/mol, XLogP of 5.67, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-(7-trimethylsilylpyren-2-yl)silane is sourced from PubChem (CID 122203195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).