trimethyl-(6-phenanthren-2-yl-3-pyridinyl)silane

C22H21NSi — CID 164792219

IUPACtrimethyl-(6-phenanthren-2-yl-3-pyridinyl)silane
SMILESC[Si](C)(C)c1ccc(-c2ccc3c(ccc4ccccc43)c2)nc1
InChIInChI=1S/C22H21NSi/c1-24(2,3)19-11-13-22(23-15-19)18-10-12-21-17(14-18)9-8-16-6-4-5-7-20(16)21/h4-15H,1-3H3
InChIKeyWIUGAZOSJCSINA-UHFFFAOYSA-N
MW327.50 g/mol
LogP5.60
Rot. Bonds2

About trimethyl-(6-phenanthren-2-yl-3-pyridinyl)silane

trimethyl-(6-phenanthren-2-yl-3-pyridinyl)silane (PubChem CID 164792219) has the molecular formula C22H21NSi and a molecular weight of 327.50 g/mol. Its IUPAC name is trimethyl-(6-phenanthren-2-yl-3-pyridinyl)silane.

Molecular Properties

Compound Nametrimethyl-(6-phenanthren-2-yl-3-pyridinyl)silane
PubChem CID164792219
Molecular FormulaC22H21NSi
Molecular Weight327.50 g/mol
Exact Mass327.14
IUPAC Nametrimethyl-(6-phenanthren-2-yl-3-pyridinyl)silane
SMILESC[Si](C)(C)c1ccc(-c2ccc3c(ccc4ccccc43)c2)nc1
InChIInChI=1S/C22H21NSi/c1-24(2,3)19-11-13-22(23-15-19)18-10-12-21-17(14-18)9-8-16-6-4-5-7-20(16)21/h4-15H,1-3H3
InChIKeyWIUGAZOSJCSINA-UHFFFAOYSA-N
XLogP5.60
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.50
LogP ≤ 55.60
H-Bond Donors ≤ 50
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'}

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Frequently Asked Questions

What is the IUPAC name of trimethyl-(6-phenanthren-2-yl-3-pyridinyl)silane?
The IUPAC name of trimethyl-(6-phenanthren-2-yl-3-pyridinyl)silane (CID 164792219) is trimethyl-(6-phenanthren-2-yl-3-pyridinyl)silane.
What is the SMILES notation for trimethyl-(6-phenanthren-2-yl-3-pyridinyl)silane?
The canonical SMILES for trimethyl-(6-phenanthren-2-yl-3-pyridinyl)silane is C[Si](C)(C)c1ccc(-c2ccc3c(ccc4ccccc43)c2)nc1.
What is the InChIKey of trimethyl-(6-phenanthren-2-yl-3-pyridinyl)silane?
The InChIKey is WIUGAZOSJCSINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NSi/c1-24(2,3)19-11-13-22(23-15-19)18-10-12-21-17(14-18)9-8-16-6-4-5-7-20(16)21/h4-15H,1-3H3.
What are the key properties of trimethyl-(6-phenanthren-2-yl-3-pyridinyl)silane?
trimethyl-(6-phenanthren-2-yl-3-pyridinyl)silane has a molecular weight of 327.50 g/mol, XLogP of 5.60, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-(6-phenanthren-2-yl-3-pyridinyl)silane is sourced from PubChem (CID 164792219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).