[2-(3-tert-butylphenyl)-7-phenylquinolin-3-yl]-trimethylsilane

C28H31NSi — CID 156675607

IUPAC[2-(3-tert-butylphenyl)-7-phenylquinolin-3-yl]-trimethylsilane
SMILESCC(C)(C)c1cccc(-c2nc3cc(-c4ccccc4)ccc3cc2[Si](C)(C)C)c1
InChIInChI=1S/C28H31NSi/c1-28(2,3)24-14-10-13-23(17-24)27-26(30(4,5)6)19-22-16-15-21(18-25(22)29-27)20-11-8-7-9-12-20/h7-19H,1-6H3
InChIKeyDPXMAFZLCWHGKJ-UHFFFAOYSA-N
MW409.65 g/mol
LogP7.41
Rot. Bonds3

About [2-(3-tert-butylphenyl)-7-phenylquinolin-3-yl]-trimethylsilane

[2-(3-tert-butylphenyl)-7-phenylquinolin-3-yl]-trimethylsilane (PubChem CID 156675607) has the molecular formula C28H31NSi and a molecular weight of 409.65 g/mol. Its IUPAC name is [2-(3-tert-butylphenyl)-7-phenylquinolin-3-yl]-trimethylsilane.

Molecular Properties

Compound Name[2-(3-tert-butylphenyl)-7-phenylquinolin-3-yl]-trimethylsilane
PubChem CID156675607
Molecular FormulaC28H31NSi
Molecular Weight409.65 g/mol
Exact Mass409.22
IUPAC Name[2-(3-tert-butylphenyl)-7-phenylquinolin-3-yl]-trimethylsilane
SMILESCC(C)(C)c1cccc(-c2nc3cc(-c4ccccc4)ccc3cc2[Si](C)(C)C)c1
InChIInChI=1S/C28H31NSi/c1-28(2,3)24-14-10-13-23(17-24)27-26(30(4,5)6)19-22-16-15-21(18-25(22)29-27)20-11-8-7-9-12-20/h7-19H,1-6H3
InChIKeyDPXMAFZLCWHGKJ-UHFFFAOYSA-N
XLogP7.41
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.65
LogP ≤ 57.41
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 [2-(3-tert-butylphenyl)-7-phenylquinolin-3-yl]-trimethylsilane?
The IUPAC name of [2-(3-tert-butylphenyl)-7-phenylquinolin-3-yl]-trimethylsilane (CID 156675607) is [2-(3-tert-butylphenyl)-7-phenylquinolin-3-yl]-trimethylsilane.
What is the SMILES notation for [2-(3-tert-butylphenyl)-7-phenylquinolin-3-yl]-trimethylsilane?
The canonical SMILES for [2-(3-tert-butylphenyl)-7-phenylquinolin-3-yl]-trimethylsilane is CC(C)(C)c1cccc(-c2nc3cc(-c4ccccc4)ccc3cc2[Si](C)(C)C)c1.
What is the InChIKey of [2-(3-tert-butylphenyl)-7-phenylquinolin-3-yl]-trimethylsilane?
The InChIKey is DPXMAFZLCWHGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31NSi/c1-28(2,3)24-14-10-13-23(17-24)27-26(30(4,5)6)19-22-16-15-21(18-25(22)29-27)20-11-8-7-9-12-20/h7-19H,1-6H3.
What are the key properties of [2-(3-tert-butylphenyl)-7-phenylquinolin-3-yl]-trimethylsilane?
[2-(3-tert-butylphenyl)-7-phenylquinolin-3-yl]-trimethylsilane has a molecular weight of 409.65 g/mol, XLogP of 7.41, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-tert-butylphenyl)-7-phenylquinolin-3-yl]-trimethylsilane is sourced from PubChem (CID 156675607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).