[4-carbazol-9-yl-2-methyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium-6-yl]-trimethylsilane

C34H35N2Si+ — CID 171459391

IUPAC[4-carbazol-9-yl-2-methyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium-6-yl]-trimethylsilane
SMILESCc1cc(C)c(C)c(-c2c3ccc([Si](C)(C)C)cc3c(-n3c4ccccc4c4ccccc43)c[n+]2C)c1
InChIInChI=1S/C34H35N2Si/c1-22-18-23(2)24(3)29(19-22)34-28-17-16-25(37(5,6)7)20-30(28)33(21-35(34)4)36-31-14-10-8-12-26(31)27-13-9-11-15-32(27)36/h8-21H,1-7H3/q+1
InChIKeyGTKQPXBMXHWVKU-UHFFFAOYSA-N
MW499.75 g/mol
LogP7.90
Rot. Bonds3

About [4-carbazol-9-yl-2-methyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium-6-yl]-trimethylsilane

[4-carbazol-9-yl-2-methyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium-6-yl]-trimethylsilane (PubChem CID 171459391) has the molecular formula C34H35N2Si+ and a molecular weight of 499.75 g/mol. Its IUPAC name is [4-carbazol-9-yl-2-methyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium-6-yl]-trimethylsilane.

Molecular Properties

Compound Name[4-carbazol-9-yl-2-methyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium-6-yl]-trimethylsilane
PubChem CID171459391
Molecular FormulaC34H35N2Si+
Molecular Weight499.75 g/mol
Exact Mass499.26
IUPAC Name[4-carbazol-9-yl-2-methyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium-6-yl]-trimethylsilane
SMILESCc1cc(C)c(C)c(-c2c3ccc([Si](C)(C)C)cc3c(-n3c4ccccc4c4ccccc43)c[n+]2C)c1
InChIInChI=1S/C34H35N2Si/c1-22-18-23(2)24(3)29(19-22)34-28-17-16-25(37(5,6)7)20-30(28)33(21-35(34)4)36-31-14-10-8-12-26(31)27-13-9-11-15-32(27)36/h8-21H,1-7H3/q+1
InChIKeyGTKQPXBMXHWVKU-UHFFFAOYSA-N
XLogP7.90
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.75
LogP ≤ 57.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

9-[2-methyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium-5-yl]carbazole
CID 171459011
8-carbazol-9-yl-2-methyl-1-(2,3,5-trimethylphenyl)-[1]benzothiolo[2,3-c]pyridin-2-ium
CID 171459330
[1-(2,5-dimethylphenyl)-2-methylisoquinolin-2-ium-6-yl]-trimethylsilane;trimethyl-[2-methyl-1-(2-methylphenyl)isoquinolin-2-ium-6-yl]silane;trimethyl-[2-methyl-1-(2,3,4,5-tetramethylphenyl)isoquinolin-2-ium-6-yl]silane;trimethyl-[2-methyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium-6-yl]silane
CID 161105923
trimethyl-[9-(2-phenylphenyl)carbazol-3-yl]silane
CID 175089123
7-carbazol-9-yl-2-methyl-1-(2,3,5-trimethylphenyl)-[1]benzothiolo[2,3-c]pyridin-2-ium
CID 171459067
9-[1-(1,4-dimethylnaphthalen-2-yl)-2-methylisoquinolin-2-ium-5-yl]carbazole
CID 171458919
trimethyl-[9-[1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium-4-yl]carbazol-2-yl]germane
CID 171459403
[1-(2,3-dimethyl-5-phenylphenyl)-2-methylisoquinolin-2-ium-6-yl]-trimethylsilane
CID 155637585
2-cyclopentyl-9-[2-methyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium-6-yl]carbazole
CID 171459340
[1-(5-tert-butyl-2,3-dimethylphenyl)-3-deuterio-2-methylisoquinolin-2-ium-6-yl]-trimethylsilane
CID 176592449
3-(cyclopentylmethyl)-9-[2-methyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium-6-yl]carbazole
CID 171459002
9-[1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium-5-yl]carbazole-1-carbonitrile
CID 171459293

Frequently Asked Questions

What is the IUPAC name of [4-carbazol-9-yl-2-methyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium-6-yl]-trimethylsilane?
The IUPAC name of [4-carbazol-9-yl-2-methyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium-6-yl]-trimethylsilane (CID 171459391) is [4-carbazol-9-yl-2-methyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium-6-yl]-trimethylsilane.
What is the SMILES notation for [4-carbazol-9-yl-2-methyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium-6-yl]-trimethylsilane?
The canonical SMILES for [4-carbazol-9-yl-2-methyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium-6-yl]-trimethylsilane is Cc1cc(C)c(C)c(-c2c3ccc([Si](C)(C)C)cc3c(-n3c4ccccc4c4ccccc43)c[n+]2C)c1.
What is the InChIKey of [4-carbazol-9-yl-2-methyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium-6-yl]-trimethylsilane?
The InChIKey is GTKQPXBMXHWVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35N2Si/c1-22-18-23(2)24(3)29(19-22)34-28-17-16-25(37(5,6)7)20-30(28)33(21-35(34)4)36-31-14-10-8-12-26(31)27-13-9-11-15-32(27)36/h8-21H,1-7H3/q+1.
What are the key properties of [4-carbazol-9-yl-2-methyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium-6-yl]-trimethylsilane?
[4-carbazol-9-yl-2-methyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium-6-yl]-trimethylsilane has a molecular weight of 499.75 g/mol, XLogP of 7.90, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-carbazol-9-yl-2-methyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium-6-yl]-trimethylsilane is sourced from PubChem (CID 171459391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).