tert-butyl-[2-methyl-1-(2-methyl-5-phenyl-3-propan-2-ylphenyl)isoquinolin-2-ium-6-yl]-diphenylsilane;dimethyl-[2-methyl-1-(2-methyl-5-phenyl-3-propan-2-ylphenyl)isoquinolin-2-ium-6-yl]-phenylsilane;methyl-[2-methyl-1-(2-methyl-5-phenyl-3-propan-2-ylphenyl)isoquinolin-2-ium-6-yl]-diphenylsilane;[2-methyl-1-(2-methyl-5-phenyl-3-propan-2-ylphenyl)isoquinolin-2-ium-6-yl]-triphenylsilane

C159H158N4Si4+4 — CID 158962107

IUPACtert-butyl-[2-methyl-1-(2-methyl-5-phenyl-3-propan-2-ylphenyl)isoquinolin-2-ium-6-yl]-diphenylsilane;dimethyl-[2-methyl-1-(2-methyl-5-phenyl-3-propan-2-ylphenyl)isoquinolin-2-ium-6-yl]-phenylsilane;methyl-[2-methyl-1-(2-methyl-5-phenyl-3-propan-2-ylphenyl)isoquinolin-2-ium-6-yl]-diphenylsilane;[2-methyl-1-(2-methyl-5-phenyl-3-propan-2-ylphenyl)isoquinolin-2-ium-6-yl]-triphenylsilane
SMILESCc1c(-c2c3ccc([Si](C)(C)c4ccccc4)cc3cc[n+]2C)cc(-c2ccccc2)cc1C(C)C.Cc1c(-c2c3ccc([Si](C)(c4ccccc4)c4ccccc4)cc3cc[n+]2C)cc(-c2ccccc2)cc1C(C)C.Cc1c(-c2c3ccc([Si](c4ccccc4)(c4ccccc4)C(C)(C)C)cc3cc[n+]2C)cc(-c2ccccc2)cc1C(C)C.Cc1c(-c2c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc3cc[n+]2C)cc(-c2ccccc2)cc1C(C)C
InChIInChI=1S/C44H40NSi.C42H44NSi.C39H38NSi.C34H36NSi/c1-32(2)42-30-36(34-17-9-5-10-18-34)31-43(33(42)3)44-41-26-25-40(29-35(41)27-28-45(44)4)46(37-19-11-6-12-20-37,38-21-13-7-14-22-38)39-23-15-8-16-24-39;1-30(2)39-28-34(32-17-11-8-12-18-32)29-40(31(39)3)41-38-24-23-37(27-33(38)25-26-43(41)7)44(42(4,5)6,35-19-13-9-14-20-35)36-21-15-10-16-22-36;1-28(2)37-26-32(30-15-9-6-10-16-30)27-38(29(37)3)39-36-22-21-35(25-31(36)23-24-40(39)4)41(5,33-17-11-7-12-18-33)34-19-13-8-14-20-34;1-24(2)32-22-28(26-13-9-7-10-14-26)23-33(25(32)3)34-31-18-17-30(21-27(31)19-20-35(34)4)36(5,6)29-15-11-8-12-16-29/h5-32H,1-4H3;8-30H,1-7H3;6-28H,1-5H3;7-24H,1-6H3/q4*+1
InChIKeyJCPIQKJILDQKSI-UHFFFAOYSA-N
MW2237.38 g/mol
LogP31.29
Rot. Bonds24

About tert-butyl-[2-methyl-1-(2-methyl-5-phenyl-3-propan-2-ylphenyl)isoquinolin-2-ium-6-yl]-diphenylsilane;dimethyl-[2-methyl-1-(2-methyl-5-phenyl-3-propan-2-ylphenyl)isoquinolin-2-ium-6-yl]-phenylsilane;methyl-[2-methyl-1-(2-methyl-5-phenyl-3-propan-2-ylphenyl)isoquinolin-2-ium-6-yl]-diphenylsilane;[2-methyl-1-(2-methyl-5-phenyl-3-propan-2-ylphenyl)isoquinolin-2-ium-6-yl]-triphenylsilane

tert-butyl-[2-methyl-1-(2-methyl-5-phenyl-3-propan-2-ylphenyl)isoquinolin-2-ium-6-yl]-diphenylsilane;dimethyl-[2-methyl-1-(2-methyl-5-phenyl-3-propan-2-ylphenyl)isoquinolin-2-ium-6-yl]-phenylsilane;methyl-[2-methyl-1-(2-methyl-5-phenyl-3-propan-2-ylphenyl)isoquinolin-2-ium-6-yl]-diphenylsilane;[2-methyl-1-(2-methyl-5-phenyl-3-propan-2-ylphenyl)isoquinolin-2-ium-6-yl]-triphenylsilane (PubChem CID 158962107) has the molecular formula C159H158N4Si4+4 and a molecular weight of 2237.38 g/mol. Its IUPAC name is tert-butyl-[2-methyl-1-(2-methyl-5-phenyl-3-propan-2-ylphenyl)isoquinolin-2-ium-6-yl]-diphenylsilane;dimethyl-[2-methyl-1-(2-methyl-5-phenyl-3-propan-2-ylphenyl)isoquinolin-2-ium-6-yl]-phenylsilane;methyl-[2-methyl-1-(2-methyl-5-phenyl-3-propan-2-ylphenyl)isoquinolin-2-ium-6-yl]-diphenylsilane;[2-methyl-1-(2-methyl-5-phenyl-3-propan-2-ylphenyl)isoquinolin-2-ium-6-yl]-triphenylsilane.

Molecular Properties

Compound Nametert-butyl-[2-methyl-1-(2-methyl-5-phenyl-3-propan-2-ylphenyl)isoquinolin-2-ium-6-yl]-diphenylsilane;dimethyl-[2-methyl-1-(2-methyl-5-phenyl-3-propan-2-ylphenyl)isoquinolin-2-ium-6-yl]-phenylsilane;methyl-[2-methyl-1-(2-methyl-5-phenyl-3-propan-2-ylphenyl)isoquinolin-2-ium-6-yl]-diphenylsilane;[2-methyl-1-(2-methyl-5-phenyl-3-propan-2-ylphenyl)isoquinolin-2-ium-6-yl]-triphenylsilane
PubChem CID158962107
Molecular FormulaC159H158N4Si4+4
Molecular Weight2237.38 g/mol
Exact Mass2235.15
IUPAC Nametert-butyl-[2-methyl-1-(2-methyl-5-phenyl-3-propan-2-ylphenyl)isoquinolin-2-ium-6-yl]-diphenylsilane;dimethyl-[2-methyl-1-(2-methyl-5-phenyl-3-propan-2-ylphenyl)isoquinolin-2-ium-6-yl]-phenylsilane;methyl-[2-methyl-1-(2-methyl-5-phenyl-3-propan-2-ylphenyl)isoquinolin-2-ium-6-yl]-diphenylsilane;[2-methyl-1-(2-methyl-5-phenyl-3-propan-2-ylphenyl)isoquinolin-2-ium-6-yl]-triphenylsilane
SMILESCc1c(-c2c3ccc([Si](C)(C)c4ccccc4)cc3cc[n+]2C)cc(-c2ccccc2)cc1C(C)C.Cc1c(-c2c3ccc([Si](C)(c4ccccc4)c4ccccc4)cc3cc[n+]2C)cc(-c2ccccc2)cc1C(C)C.Cc1c(-c2c3ccc([Si](c4ccccc4)(c4ccccc4)C(C)(C)C)cc3cc[n+]2C)cc(-c2ccccc2)cc1C(C)C.Cc1c(-c2c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc3cc[n+]2C)cc(-c2ccccc2)cc1C(C)C
InChIInChI=1S/C44H40NSi.C42H44NSi.C39H38NSi.C34H36NSi/c1-32(2)42-30-36(34-17-9-5-10-18-34)31-43(33(42)3)44-41-26-25-40(29-35(41)27-28-45(44)4)46(37-19-11-6-12-20-37,38-21-13-7-14-22-38)39-23-15-8-16-24-39;1-30(2)39-28-34(32-17-11-8-12-18-32)29-40(31(39)3)41-38-24-23-37(27-33(38)25-26-43(41)7)44(42(4,5)6,35-19-13-9-14-20-35)36-21-15-10-16-22-36;1-28(2)37-26-32(30-15-9-6-10-16-30)27-38(29(37)3)39-36-22-21-35(25-31(36)23-24-40(39)4)41(5,33-17-11-7-12-18-33)34-19-13-8-14-20-34;1-24(2)32-22-28(26-13-9-7-10-14-26)23-33(25(32)3)34-31-18-17-30(21-27(31)19-20-35(34)4)36(5,6)29-15-11-8-12-16-29/h5-32H,1-4H3;8-30H,1-7H3;6-28H,1-5H3;7-24H,1-6H3/q4*+1
InChIKeyJCPIQKJILDQKSI-UHFFFAOYSA-N
XLogP31.29
TPSA15.52 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds24
Heavy Atoms167
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002237.38
LogP ≤ 531.29
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'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze tert-butyl-[2-methyl-1-(2-methyl-5-phenyl-3-propan-2-ylphenyl)isoquinolin-2-ium-6-yl]-diphenylsilane;dimethyl-[2-methyl-1-(2-methyl-5-phenyl-3-propan-2-ylphenyl)isoquinolin-2-ium-6-yl]-phenylsilane;methyl-[2-methyl-1-(2-methyl-5-phenyl-3-propan-2-ylphenyl)isoquinolin-2-ium-6-yl]-diphenylsilane;[2-methyl-1-(2-methyl-5-phenyl-3-propan-2-ylphenyl)isoquinolin-2-ium-6-yl]-triphenylsilane with MolForge

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Launch Full Analysis

Related Compounds

[3-deuterio-2-methyl-1-(2-methyl-5-phenyl-3-propan-2-ylphenyl)isoquinolin-2-ium-6-yl]-dimethyl-phenylsilane
CID 155639415
triethyl-[2-methyl-1-(2-methyl-5-phenyl-3-propan-2-ylphenyl)isoquinolin-2-ium-6-yl]silane
CID 155638144
[1-(3-cyclopentyl-2-methyl-5-phenylphenyl)-2-methylisoquinolin-2-ium-6-yl]-dimethyl-phenylsilane
CID 155638011
[1-(2,3-dimethyl-5-phenylphenyl)-2-methylisoquinolin-2-ium-6-yl]-trimethylsilane
CID 155637585
[1-(2,3-dimethyl-5-phenylphenyl)-2-methylisoquinolin-2-ium-6-yl]-tri(propan-2-yl)silane
CID 155637953
tert-butyl-[1-(2,5-dimethylphenyl)-2-methylisoquinolin-2-ium-6-yl]-diphenylsilane;tert-butyl-[2-methyl-1-(2-methylphenyl)isoquinolin-2-ium-6-yl]-diphenylsilane;tert-butyl-[2-methyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium-6-yl]-diphenylsilane
CID 160584594
3,4-dideuterio-2-methyl-1-(2-methyl-5-phenyl-3-propan-2-ylphenyl)-6-propan-2-ylisoquinolin-2-ium
CID 158337815
[1-[2,3-dimethyl-5-(2,2,2-trifluoroethyl)phenyl]-2-methylisoquinolin-2-ium-6-yl]-methyl-diphenylsilane
CID 155638176
[1-[4-(2,6-dimethylphenyl)-2-methylphenyl]-2-methylisoquinolin-2-ium-6-yl]-triphenylsilane
CID 155637620
[1-(2,5-dimethylphenyl)-2-methylisoquinolin-2-ium-6-yl]-triphenylsilane
CID 155638155
[1-(3-cyclopentyl-4-fluoro-2-methyl-5-phenylphenyl)-2-methylisoquinolin-2-ium-6-yl]-dimethyl-phenylsilane
CID 155637662
[1-(4-fluoro-2,3-dimethyl-5-phenylphenyl)-2-methylisoquinolin-2-ium-6-yl]-dimethyl-propan-2-ylsilane
CID 155637944

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-methyl-1-(2-methyl-5-phenyl-3-propan-2-ylphenyl)isoquinolin-2-ium-6-yl]-diphenylsilane;dimethyl-[2-methyl-1-(2-methyl-5-phenyl-3-propan-2-ylphenyl)isoquinolin-2-ium-6-yl]-phenylsilane;methyl-[2-methyl-1-(2-methyl-5-phenyl-3-propan-2-ylphenyl)isoquinolin-2-ium-6-yl]-diphenylsilane;[2-methyl-1-(2-methyl-5-phenyl-3-propan-2-ylphenyl)isoquinolin-2-ium-6-yl]-triphenylsilane?
The IUPAC name of tert-butyl-[2-methyl-1-(2-methyl-5-phenyl-3-propan-2-ylphenyl)isoquinolin-2-ium-6-yl]-diphenylsilane;dimethyl-[2-methyl-1-(2-methyl-5-phenyl-3-propan-2-ylphenyl)isoquinolin-2-ium-6-yl]-phenylsilane;methyl-[2-methyl-1-(2-methyl-5-phenyl-3-propan-2-ylphenyl)isoquinolin-2-ium-6-yl]-diphenylsilane;[2-methyl-1-(2-methyl-5-phenyl-3-propan-2-ylphenyl)isoquinolin-2-ium-6-yl]-triphenylsilane (CID 158962107) is tert-butyl-[2-methyl-1-(2-methyl-5-phenyl-3-propan-2-ylphenyl)isoquinolin-2-ium-6-yl]-diphenylsilane;dimethyl-[2-methyl-1-(2-methyl-5-phenyl-3-propan-2-ylphenyl)isoquinolin-2-ium-6-yl]-phenylsilane;methyl-[2-methyl-1-(2-methyl-5-phenyl-3-propan-2-ylphenyl)isoquinolin-2-ium-6-yl]-diphenylsilane;[2-methyl-1-(2-methyl-5-phenyl-3-propan-2-ylphenyl)isoquinolin-2-ium-6-yl]-triphenylsilane.
What is the SMILES notation for tert-butyl-[2-methyl-1-(2-methyl-5-phenyl-3-propan-2-ylphenyl)isoquinolin-2-ium-6-yl]-diphenylsilane;dimethyl-[2-methyl-1-(2-methyl-5-phenyl-3-propan-2-ylphenyl)isoquinolin-2-ium-6-yl]-phenylsilane;methyl-[2-methyl-1-(2-methyl-5-phenyl-3-propan-2-ylphenyl)isoquinolin-2-ium-6-yl]-diphenylsilane;[2-methyl-1-(2-methyl-5-phenyl-3-propan-2-ylphenyl)isoquinolin-2-ium-6-yl]-triphenylsilane?
The canonical SMILES for tert-butyl-[2-methyl-1-(2-methyl-5-phenyl-3-propan-2-ylphenyl)isoquinolin-2-ium-6-yl]-diphenylsilane;dimethyl-[2-methyl-1-(2-methyl-5-phenyl-3-propan-2-ylphenyl)isoquinolin-2-ium-6-yl]-phenylsilane;methyl-[2-methyl-1-(2-methyl-5-phenyl-3-propan-2-ylphenyl)isoquinolin-2-ium-6-yl]-diphenylsilane;[2-methyl-1-(2-methyl-5-phenyl-3-propan-2-ylphenyl)isoquinolin-2-ium-6-yl]-triphenylsilane is Cc1c(-c2c3ccc([Si](C)(C)c4ccccc4)cc3cc[n+]2C)cc(-c2ccccc2)cc1C(C)C.Cc1c(-c2c3ccc([Si](C)(c4ccccc4)c4ccccc4)cc3cc[n+]2C)cc(-c2ccccc2)cc1C(C)C.Cc1c(-c2c3ccc([Si](c4ccccc4)(c4ccccc4)C(C)(C)C)cc3cc[n+]2C)cc(-c2ccccc2)cc1C(C)C.Cc1c(-c2c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc3cc[n+]2C)cc(-c2ccccc2)cc1C(C)C.
What is the InChIKey of tert-butyl-[2-methyl-1-(2-methyl-5-phenyl-3-propan-2-ylphenyl)isoquinolin-2-ium-6-yl]-diphenylsilane;dimethyl-[2-methyl-1-(2-methyl-5-phenyl-3-propan-2-ylphenyl)isoquinolin-2-ium-6-yl]-phenylsilane;methyl-[2-methyl-1-(2-methyl-5-phenyl-3-propan-2-ylphenyl)isoquinolin-2-ium-6-yl]-diphenylsilane;[2-methyl-1-(2-methyl-5-phenyl-3-propan-2-ylphenyl)isoquinolin-2-ium-6-yl]-triphenylsilane?
The InChIKey is JCPIQKJILDQKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H40NSi.C42H44NSi.C39H38NSi.C34H36NSi/c1-32(2)42-30-36(34-17-9-5-10-18-34)31-43(33(42)3)44-41-26-25-40(29-35(41)27-28-45(44)4)46(37-19-11-6-12-20-37,38-21-13-7-14-22-38)39-23-15-8-16-24-39;1-30(2)39-28-34(32-17-11-8-12-18-32)29-40(31(39)3)41-38-24-23-37(27-33(38)25-26-43(41)7)44(42(4,5)6,35-19-13-9-14-20-35)36-21-15-10-16-22-36;1-28(2)37-26-32(30-15-9-6-10-16-30)27-38(29(37)3)39-36-22-21-35(25-31(36)23-24-40(39)4)41(5,33-17-11-7-12-18-33)34-19-13-8-14-20-34;1-24(2)32-22-28(26-13-9-7-10-14-26)23-33(25(32)3)34-31-18-17-30(21-27(31)19-20-35(34)4)36(5,6)29-15-11-8-12-16-29/h5-32H,1-4H3;8-30H,1-7H3;6-28H,1-5H3;7-24H,1-6H3/q4*+1.
What are the key properties of tert-butyl-[2-methyl-1-(2-methyl-5-phenyl-3-propan-2-ylphenyl)isoquinolin-2-ium-6-yl]-diphenylsilane;dimethyl-[2-methyl-1-(2-methyl-5-phenyl-3-propan-2-ylphenyl)isoquinolin-2-ium-6-yl]-phenylsilane;methyl-[2-methyl-1-(2-methyl-5-phenyl-3-propan-2-ylphenyl)isoquinolin-2-ium-6-yl]-diphenylsilane;[2-methyl-1-(2-methyl-5-phenyl-3-propan-2-ylphenyl)isoquinolin-2-ium-6-yl]-triphenylsilane?
tert-butyl-[2-methyl-1-(2-methyl-5-phenyl-3-propan-2-ylphenyl)isoquinolin-2-ium-6-yl]-diphenylsilane;dimethyl-[2-methyl-1-(2-methyl-5-phenyl-3-propan-2-ylphenyl)isoquinolin-2-ium-6-yl]-phenylsilane;methyl-[2-methyl-1-(2-methyl-5-phenyl-3-propan-2-ylphenyl)isoquinolin-2-ium-6-yl]-diphenylsilane;[2-methyl-1-(2-methyl-5-phenyl-3-propan-2-ylphenyl)isoquinolin-2-ium-6-yl]-triphenylsilane has a molecular weight of 2237.38 g/mol, XLogP of 31.29, 24 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-methyl-1-(2-methyl-5-phenyl-3-propan-2-ylphenyl)isoquinolin-2-ium-6-yl]-diphenylsilane;dimethyl-[2-methyl-1-(2-methyl-5-phenyl-3-propan-2-ylphenyl)isoquinolin-2-ium-6-yl]-phenylsilane;methyl-[2-methyl-1-(2-methyl-5-phenyl-3-propan-2-ylphenyl)isoquinolin-2-ium-6-yl]-diphenylsilane;[2-methyl-1-(2-methyl-5-phenyl-3-propan-2-ylphenyl)isoquinolin-2-ium-6-yl]-triphenylsilane is sourced from PubChem (CID 158962107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).