[2-(3-tert-butyl-5-methylphenyl)-3-phenylquinolin-5-yl]-trimethylsilane

C29H33NSi — CID 156675812

IUPAC[2-(3-tert-butyl-5-methylphenyl)-3-phenylquinolin-5-yl]-trimethylsilane
SMILESCc1cc(-c2nc3cccc([Si](C)(C)C)c3cc2-c2ccccc2)cc(C(C)(C)C)c1
InChIInChI=1S/C29H33NSi/c1-20-16-22(18-23(17-20)29(2,3)4)28-24(21-12-9-8-10-13-21)19-25-26(30-28)14-11-15-27(25)31(5,6)7/h8-19H,1-7H3
InChIKeyYQVYQDPLLXDOFH-UHFFFAOYSA-N
MW423.68 g/mol
LogP7.72
Rot. Bonds3

About [2-(3-tert-butyl-5-methylphenyl)-3-phenylquinolin-5-yl]-trimethylsilane

[2-(3-tert-butyl-5-methylphenyl)-3-phenylquinolin-5-yl]-trimethylsilane (PubChem CID 156675812) has the molecular formula C29H33NSi and a molecular weight of 423.68 g/mol. Its IUPAC name is [2-(3-tert-butyl-5-methylphenyl)-3-phenylquinolin-5-yl]-trimethylsilane.

Molecular Properties

Compound Name[2-(3-tert-butyl-5-methylphenyl)-3-phenylquinolin-5-yl]-trimethylsilane
PubChem CID156675812
Molecular FormulaC29H33NSi
Molecular Weight423.68 g/mol
Exact Mass423.24
IUPAC Name[2-(3-tert-butyl-5-methylphenyl)-3-phenylquinolin-5-yl]-trimethylsilane
SMILESCc1cc(-c2nc3cccc([Si](C)(C)C)c3cc2-c2ccccc2)cc(C(C)(C)C)c1
InChIInChI=1S/C29H33NSi/c1-20-16-22(18-23(17-20)29(2,3)4)28-24(21-12-9-8-10-13-21)19-25-26(30-28)14-11-15-27(25)31(5,6)7/h8-19H,1-7H3
InChIKeyYQVYQDPLLXDOFH-UHFFFAOYSA-N
XLogP7.72
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.68
LogP ≤ 57.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[2-(3,5-dimethylphenyl)-4-phenylquinolin-5-yl]-trimethylsilane
CID 156675922
2-(3-tert-butyl-5-methylphenyl)-4-(2,2-dimethylpropyl)quinoline
CID 167260846
2-(3-tert-butyl-5-methylphenyl)quinoline
CID 146511822
1,1'-biphenyl;tetrakis(1,3-ditert-butyl-5-methylbenzene)
CID 175093014
[2-(3-tert-butylphenyl)-7-phenylquinolin-3-yl]-trimethylsilane
CID 156675607
6-(3,5-dimethylphenyl)phenanthridine
CID 122398560
lithium;2,3-diphenylquinolin-5-ol;hydride
CID 174772689
6-(3-tert-butyl-5-methylphenyl)-2-phenylthieno[3,2-c]pyridine
CID 155626337
1,6-bis(4-tert-butylphenyl)-3,8-bis(4-fluorophenyl)pyrene;1,6-bis(3,5-dimethylphenyl)-3,8-bis(4-fluorophenyl)pyrene;[4-[3,8-bis(3-phenylphenyl)-6-(4-trimethylsilylnaphthalen-1-yl)pyren-1-yl]naphthalen-1-yl]-trimethylsilane
CID 160965334
6-(3-tert-butyl-5-methylphenyl)-7-azapentacyclo[12.8.0.02,11.05,10.015,20]docosa-1(14),2(11),3,5(10),6,8,12,15,17,19,21-undecaene
CID 171417966
4-tert-butyl-2-[3-(3,5-ditert-butylphenyl)phenyl]-6-phenylaniline
CID 171730460
2-[3-(3-tert-butylphenyl)-4-[3-[2-(3-tert-butylphenyl)-4-quinolin-2-ylphenyl]-2-(3,5-dimethylphenyl)phenyl]phenyl]quinoline
CID 153422771

Frequently Asked Questions

What is the IUPAC name of [2-(3-tert-butyl-5-methylphenyl)-3-phenylquinolin-5-yl]-trimethylsilane?
The IUPAC name of [2-(3-tert-butyl-5-methylphenyl)-3-phenylquinolin-5-yl]-trimethylsilane (CID 156675812) is [2-(3-tert-butyl-5-methylphenyl)-3-phenylquinolin-5-yl]-trimethylsilane.
What is the SMILES notation for [2-(3-tert-butyl-5-methylphenyl)-3-phenylquinolin-5-yl]-trimethylsilane?
The canonical SMILES for [2-(3-tert-butyl-5-methylphenyl)-3-phenylquinolin-5-yl]-trimethylsilane is Cc1cc(-c2nc3cccc([Si](C)(C)C)c3cc2-c2ccccc2)cc(C(C)(C)C)c1.
What is the InChIKey of [2-(3-tert-butyl-5-methylphenyl)-3-phenylquinolin-5-yl]-trimethylsilane?
The InChIKey is YQVYQDPLLXDOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33NSi/c1-20-16-22(18-23(17-20)29(2,3)4)28-24(21-12-9-8-10-13-21)19-25-26(30-28)14-11-15-27(25)31(5,6)7/h8-19H,1-7H3.
What are the key properties of [2-(3-tert-butyl-5-methylphenyl)-3-phenylquinolin-5-yl]-trimethylsilane?
[2-(3-tert-butyl-5-methylphenyl)-3-phenylquinolin-5-yl]-trimethylsilane has a molecular weight of 423.68 g/mol, XLogP of 7.72, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-tert-butyl-5-methylphenyl)-3-phenylquinolin-5-yl]-trimethylsilane is sourced from PubChem (CID 156675812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).