[2-methyl-1-(2-methyl-5-phenylphenyl)isoquinolin-2-ium-6-yl]-tris(2-methylpropyl)silane

C35H46NSi+ — CID 155637749

IUPAC[2-methyl-1-(2-methyl-5-phenylphenyl)isoquinolin-2-ium-6-yl]-tris(2-methylpropyl)silane
SMILESCc1ccc(-c2ccccc2)cc1-c1c2ccc([Si](CC(C)C)(CC(C)C)CC(C)C)cc2cc[n+]1C
InChIInChI=1S/C35H46NSi/c1-25(2)22-37(23-26(3)4,24-27(5)6)32-16-17-33-31(20-32)18-19-36(8)35(33)34-21-30(15-14-28(34)7)29-12-10-9-11-13-29/h9-21,25-27H,22-24H2,1-8H3/q+1
InChIKeyUMDSRINWRFUNPQ-UHFFFAOYSA-N
MW508.85 g/mol
LogP8.93
Rot. Bonds9

About [2-methyl-1-(2-methyl-5-phenylphenyl)isoquinolin-2-ium-6-yl]-tris(2-methylpropyl)silane

[2-methyl-1-(2-methyl-5-phenylphenyl)isoquinolin-2-ium-6-yl]-tris(2-methylpropyl)silane (PubChem CID 155637749) has the molecular formula C35H46NSi+ and a molecular weight of 508.85 g/mol. Its IUPAC name is [2-methyl-1-(2-methyl-5-phenylphenyl)isoquinolin-2-ium-6-yl]-tris(2-methylpropyl)silane.

Molecular Properties

Compound Name[2-methyl-1-(2-methyl-5-phenylphenyl)isoquinolin-2-ium-6-yl]-tris(2-methylpropyl)silane
PubChem CID155637749
Molecular FormulaC35H46NSi+
Molecular Weight508.85 g/mol
Exact Mass508.34
IUPAC Name[2-methyl-1-(2-methyl-5-phenylphenyl)isoquinolin-2-ium-6-yl]-tris(2-methylpropyl)silane
SMILESCc1ccc(-c2ccccc2)cc1-c1c2ccc([Si](CC(C)C)(CC(C)C)CC(C)C)cc2cc[n+]1C
InChIInChI=1S/C35H46NSi/c1-25(2)22-37(23-26(3)4,24-27(5)6)32-16-17-33-31(20-32)18-19-36(8)35(33)34-21-30(15-14-28(34)7)29-12-10-9-11-13-29/h9-21,25-27H,22-24H2,1-8H3/q+1
InChIKeyUMDSRINWRFUNPQ-UHFFFAOYSA-N
XLogP8.93
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.85
LogP ≤ 58.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

[1-(2,3-dimethyl-5-propan-2-ylphenyl)-2-methylisoquinolin-2-ium-6-yl]-tris(2-methylpropyl)silane
CID 155637578
cyclopentyl-dimethyl-[2-methyl-1-(2-methyl-5-phenylphenyl)isoquinolin-2-ium-6-yl]silane
CID 155637545
cyclohexyl-dimethyl-[2-methyl-1-(2-methyl-5-phenylphenyl)isoquinolin-2-ium-6-yl]silane
CID 155638337
triethyl-[2-methyl-1-(2-methyl-5-phenyl-3-propan-2-ylphenyl)isoquinolin-2-ium-6-yl]silane
CID 155638144
[1-(2,3-dimethyl-5-phenylphenyl)-2-methylisoquinolin-2-ium-6-yl]-tri(propan-2-yl)silane
CID 155637953
[1-(2,3-dimethyl-5-phenylphenyl)-2-methylisoquinolin-2-ium-6-yl]-trimethylsilane
CID 155637585
2-methyl-1-(2-methyl-5-phenylphenyl)-6-(1-methylsilolan-1-yl)isoquinolin-2-ium
CID 155638266
[1-(2,5-dimethylphenyl)-2-methylisoquinolin-2-ium-6-yl]-triphenylsilane
CID 155638155
[1-[4-(2,6-dimethylphenyl)-2-methylphenyl]-2-methylisoquinolin-2-ium-6-yl]-triethylsilane
CID 155637731
[1-(4-fluoro-2,3-dimethyl-5-phenylphenyl)-2-methylisoquinolin-2-ium-6-yl]-dimethyl-propan-2-ylsilane
CID 155637944
2-methyl-1-(2-methyl-4-phenylphenyl)-6-pyridin-3-ylisoquinolin-2-ium
CID 155638920
[1-[4-(2,6-dimethylphenyl)-2-methylphenyl]-2-methylisoquinolin-2-ium-6-yl]-dimethyl-propan-2-ylsilane
CID 155637689

Frequently Asked Questions

What is the IUPAC name of [2-methyl-1-(2-methyl-5-phenylphenyl)isoquinolin-2-ium-6-yl]-tris(2-methylpropyl)silane?
The IUPAC name of [2-methyl-1-(2-methyl-5-phenylphenyl)isoquinolin-2-ium-6-yl]-tris(2-methylpropyl)silane (CID 155637749) is [2-methyl-1-(2-methyl-5-phenylphenyl)isoquinolin-2-ium-6-yl]-tris(2-methylpropyl)silane.
What is the SMILES notation for [2-methyl-1-(2-methyl-5-phenylphenyl)isoquinolin-2-ium-6-yl]-tris(2-methylpropyl)silane?
The canonical SMILES for [2-methyl-1-(2-methyl-5-phenylphenyl)isoquinolin-2-ium-6-yl]-tris(2-methylpropyl)silane is Cc1ccc(-c2ccccc2)cc1-c1c2ccc([Si](CC(C)C)(CC(C)C)CC(C)C)cc2cc[n+]1C.
What is the InChIKey of [2-methyl-1-(2-methyl-5-phenylphenyl)isoquinolin-2-ium-6-yl]-tris(2-methylpropyl)silane?
The InChIKey is UMDSRINWRFUNPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H46NSi/c1-25(2)22-37(23-26(3)4,24-27(5)6)32-16-17-33-31(20-32)18-19-36(8)35(33)34-21-30(15-14-28(34)7)29-12-10-9-11-13-29/h9-21,25-27H,22-24H2,1-8H3/q+1.
What are the key properties of [2-methyl-1-(2-methyl-5-phenylphenyl)isoquinolin-2-ium-6-yl]-tris(2-methylpropyl)silane?
[2-methyl-1-(2-methyl-5-phenylphenyl)isoquinolin-2-ium-6-yl]-tris(2-methylpropyl)silane has a molecular weight of 508.85 g/mol, XLogP of 8.93, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-1-(2-methyl-5-phenylphenyl)isoquinolin-2-ium-6-yl]-tris(2-methylpropyl)silane is sourced from PubChem (CID 155637749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).