trimethyl-[2-(4-methylnaphthalen-2-yl)-4-phenylquinolin-6-yl]silane

C29H27NSi — CID 156675844

IUPACtrimethyl-[2-(4-methylnaphthalen-2-yl)-4-phenylquinolin-6-yl]silane
SMILESCc1cc(-c2cc(-c3ccccc3)c3cc([Si](C)(C)C)ccc3n2)cc2ccccc12
InChIInChI=1S/C29H27NSi/c1-20-16-23(17-22-12-8-9-13-25(20)22)29-19-26(21-10-6-5-7-11-21)27-18-24(31(2,3)4)14-15-28(27)30-29/h5-19H,1-4H3
InChIKeyYZXGALUXVFTTNJ-UHFFFAOYSA-N
MW417.63 g/mol
LogP7.58
Rot. Bonds3

About trimethyl-[2-(4-methylnaphthalen-2-yl)-4-phenylquinolin-6-yl]silane

trimethyl-[2-(4-methylnaphthalen-2-yl)-4-phenylquinolin-6-yl]silane (PubChem CID 156675844) has the molecular formula C29H27NSi and a molecular weight of 417.63 g/mol. Its IUPAC name is trimethyl-[2-(4-methylnaphthalen-2-yl)-4-phenylquinolin-6-yl]silane.

Molecular Properties

Compound Nametrimethyl-[2-(4-methylnaphthalen-2-yl)-4-phenylquinolin-6-yl]silane
PubChem CID156675844
Molecular FormulaC29H27NSi
Molecular Weight417.63 g/mol
Exact Mass417.19
IUPAC Nametrimethyl-[2-(4-methylnaphthalen-2-yl)-4-phenylquinolin-6-yl]silane
SMILESCc1cc(-c2cc(-c3ccccc3)c3cc([Si](C)(C)C)ccc3n2)cc2ccccc12
InChIInChI=1S/C29H27NSi/c1-20-16-23(17-22-12-8-9-13-25(20)22)29-19-26(21-10-6-5-7-11-21)27-18-24(31(2,3)4)14-15-28(27)30-29/h5-19H,1-4H3
InChIKeyYZXGALUXVFTTNJ-UHFFFAOYSA-N
XLogP7.58
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms31
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.63
LogP ≤ 57.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-(4-methylnaphthalen-2-yl)-4-phenylquinolin-6-yl]silane?
The IUPAC name of trimethyl-[2-(4-methylnaphthalen-2-yl)-4-phenylquinolin-6-yl]silane (CID 156675844) is trimethyl-[2-(4-methylnaphthalen-2-yl)-4-phenylquinolin-6-yl]silane.
What is the SMILES notation for trimethyl-[2-(4-methylnaphthalen-2-yl)-4-phenylquinolin-6-yl]silane?
The canonical SMILES for trimethyl-[2-(4-methylnaphthalen-2-yl)-4-phenylquinolin-6-yl]silane is Cc1cc(-c2cc(-c3ccccc3)c3cc([Si](C)(C)C)ccc3n2)cc2ccccc12.
What is the InChIKey of trimethyl-[2-(4-methylnaphthalen-2-yl)-4-phenylquinolin-6-yl]silane?
The InChIKey is YZXGALUXVFTTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27NSi/c1-20-16-23(17-22-12-8-9-13-25(20)22)29-19-26(21-10-6-5-7-11-21)27-18-24(31(2,3)4)14-15-28(27)30-29/h5-19H,1-4H3.
What are the key properties of trimethyl-[2-(4-methylnaphthalen-2-yl)-4-phenylquinolin-6-yl]silane?
trimethyl-[2-(4-methylnaphthalen-2-yl)-4-phenylquinolin-6-yl]silane has a molecular weight of 417.63 g/mol, XLogP of 7.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-(4-methylnaphthalen-2-yl)-4-phenylquinolin-6-yl]silane is sourced from PubChem (CID 156675844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).