[1-(3,5-dimethylphenyl)-7-propan-2-ylisoquinolin-5-yl]-trimethylsilane

C23H29NSi — CID 140609491

IUPAC[1-(3,5-dimethylphenyl)-7-propan-2-ylisoquinolin-5-yl]-trimethylsilane
SMILESCc1cc(C)cc(-c2nccc3c([Si](C)(C)C)cc(C(C)C)cc23)c1
InChIInChI=1S/C23H29NSi/c1-15(2)18-13-21-20(22(14-18)25(5,6)7)8-9-24-23(21)19-11-16(3)10-17(4)12-19/h8-15H,1-7H3
InChIKeyUXKJHQGZZDLOBV-UHFFFAOYSA-N
MW347.58 g/mol
LogP6.19
Rot. Bonds3

About [1-(3,5-dimethylphenyl)-7-propan-2-ylisoquinolin-5-yl]-trimethylsilane

[1-(3,5-dimethylphenyl)-7-propan-2-ylisoquinolin-5-yl]-trimethylsilane (PubChem CID 140609491) has the molecular formula C23H29NSi and a molecular weight of 347.58 g/mol. Its IUPAC name is [1-(3,5-dimethylphenyl)-7-propan-2-ylisoquinolin-5-yl]-trimethylsilane.

Molecular Properties

Compound Name[1-(3,5-dimethylphenyl)-7-propan-2-ylisoquinolin-5-yl]-trimethylsilane
PubChem CID140609491
Molecular FormulaC23H29NSi
Molecular Weight347.58 g/mol
Exact Mass347.21
IUPAC Name[1-(3,5-dimethylphenyl)-7-propan-2-ylisoquinolin-5-yl]-trimethylsilane
SMILESCc1cc(C)cc(-c2nccc3c([Si](C)(C)C)cc(C(C)C)cc23)c1
InChIInChI=1S/C23H29NSi/c1-15(2)18-13-21-20(22(14-18)25(5,6)7)8-9-24-23(21)19-11-16(3)10-17(4)12-19/h8-15H,1-7H3
InChIKeyUXKJHQGZZDLOBV-UHFFFAOYSA-N
XLogP6.19
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.58
LogP ≤ 56.19
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

7-butan-2-yl-1-(3,5-dimethylphenyl)isoquinoline
CID 139546343
1-(3,5-dimethylphenyl)-6-(1,1,1-trideuteriopropan-2-yl)isoquinoline
CID 158566063
4-(3,5-dimethylphenyl)-7-propan-2-ylquinazoline
CID 138464518
[1-(3,5-dimethylphenyl)-5-trimethylgermylisoquinolin-7-yl]-trimethylgermane
CID 140609514
4-(3,5-dimethylphenyl)-8,9-dimethylbenzo[f]isoquinoline
CID 159366512
6-butan-2-yl-1-(3,5-dimethylphenyl)-7-propan-2-ylisoquinoline
CID 146431923
[1-(3,5-dimethylphenyl)isoquinolin-6-yl]-tri(propan-2-yl)-λ4-sulfane
CID 155277503
4-(3,5-dimethylphenyl)benzo[f]isoquinolin-8-amine
CID 171576489
4-(3,5-dimethylphenyl)thieno[3,2-c]pyridine
CID 167260692
5-bromo-1-(3,5-dimethylphenyl)-6-(4-methylpentan-2-yl)isoquinoline
CID 153456900
8-tert-butyl-4-(3,5-dimethylphenyl)benzo[f]isoquinoline
CID 155619475
6-(3,5-dimethylphenyl)-10-(2-methylpropyl)-8-thia-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 153428523

Frequently Asked Questions

What is the IUPAC name of [1-(3,5-dimethylphenyl)-7-propan-2-ylisoquinolin-5-yl]-trimethylsilane?
The IUPAC name of [1-(3,5-dimethylphenyl)-7-propan-2-ylisoquinolin-5-yl]-trimethylsilane (CID 140609491) is [1-(3,5-dimethylphenyl)-7-propan-2-ylisoquinolin-5-yl]-trimethylsilane.
What is the SMILES notation for [1-(3,5-dimethylphenyl)-7-propan-2-ylisoquinolin-5-yl]-trimethylsilane?
The canonical SMILES for [1-(3,5-dimethylphenyl)-7-propan-2-ylisoquinolin-5-yl]-trimethylsilane is Cc1cc(C)cc(-c2nccc3c([Si](C)(C)C)cc(C(C)C)cc23)c1.
What is the InChIKey of [1-(3,5-dimethylphenyl)-7-propan-2-ylisoquinolin-5-yl]-trimethylsilane?
The InChIKey is UXKJHQGZZDLOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NSi/c1-15(2)18-13-21-20(22(14-18)25(5,6)7)8-9-24-23(21)19-11-16(3)10-17(4)12-19/h8-15H,1-7H3.
What are the key properties of [1-(3,5-dimethylphenyl)-7-propan-2-ylisoquinolin-5-yl]-trimethylsilane?
[1-(3,5-dimethylphenyl)-7-propan-2-ylisoquinolin-5-yl]-trimethylsilane has a molecular weight of 347.58 g/mol, XLogP of 6.19, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,5-dimethylphenyl)-7-propan-2-ylisoquinolin-5-yl]-trimethylsilane is sourced from PubChem (CID 140609491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).