[9-[2-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylquinolin-1-ium-4-yl]carbazol-4-yl]-trimethylsilane

C40H41N2Si+ — CID 171459370

IUPAC[9-[2-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylquinolin-1-ium-4-yl]carbazol-4-yl]-trimethylsilane
SMILESCc1c(-c2cc(-n3c4ccccc4c4c([Si](C)(C)C)cccc43)c3ccccc3[n+]2C)cc(C(C)(C)C)c2ccccc12
InChIInChI=1S/C40H41N2Si/c1-26-27-16-9-10-17-28(27)32(40(2,3)4)24-31(26)36-25-37(29-18-11-13-20-33(29)41(36)5)42-34-21-14-12-19-30(34)39-35(42)22-15-23-38(39)43(6,7)8/h9-25H,1-8H3/q+1
InChIKeyRSUMLJIXIXXWBH-UHFFFAOYSA-N
MW577.87 g/mol
LogP9.73
Rot. Bonds3

About [9-[2-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylquinolin-1-ium-4-yl]carbazol-4-yl]-trimethylsilane

[9-[2-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylquinolin-1-ium-4-yl]carbazol-4-yl]-trimethylsilane (PubChem CID 171459370) has the molecular formula C40H41N2Si+ and a molecular weight of 577.87 g/mol. Its IUPAC name is [9-[2-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylquinolin-1-ium-4-yl]carbazol-4-yl]-trimethylsilane.

Molecular Properties

Compound Name[9-[2-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylquinolin-1-ium-4-yl]carbazol-4-yl]-trimethylsilane
PubChem CID171459370
Molecular FormulaC40H41N2Si+
Molecular Weight577.87 g/mol
Exact Mass577.30
IUPAC Name[9-[2-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylquinolin-1-ium-4-yl]carbazol-4-yl]-trimethylsilane
SMILESCc1c(-c2cc(-n3c4ccccc4c4c([Si](C)(C)C)cccc43)c3ccccc3[n+]2C)cc(C(C)(C)C)c2ccccc12
InChIInChI=1S/C40H41N2Si/c1-26-27-16-9-10-17-28(27)32(40(2,3)4)24-31(26)36-25-37(29-18-11-13-20-33(29)41(36)5)42-34-21-14-12-19-30(34)39-35(42)22-15-23-38(39)43(6,7)8/h9-25H,1-8H3/q+1
InChIKeyRSUMLJIXIXXWBH-UHFFFAOYSA-N
XLogP9.73
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.87
LogP ≤ 59.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_pyridiniums_A(39)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

[9-[2-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylquinolin-1-ium-4-yl]carbazol-3-yl]-trimethylgermane
CID 171459217
9-[2-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylquinolin-1-ium-4-yl]-2,7-di(propan-2-yl)carbazole
CID 171459115
9-[2-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylquinolin-1-ium-7-yl]carbazole
CID 171458941
[2-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylquinolin-1-ium-6-yl]-trimethylsilane
CID 166054514
5-[2-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylquinolin-1-ium-4-yl]-2-methyl-[1,3]thiazolo[5,4-d][1,3]thiazole
CID 156665286
1-(4-tert-butyl-1-methylnaphthalen-2-yl)-6-carbazol-9-yl-2-methyl-[1]benzofuro[3,2-c]pyridin-2-ium
CID 171459238
trimethyl-[9-[1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium-4-yl]carbazol-2-yl]germane
CID 171459403
4-(4-tert-butyl-1-methylnaphthalen-2-yl)-7-(2-fluorocarbazol-9-yl)-3-methylbenzo[f]isoquinolin-3-ium
CID 171459459
2-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methyl-5,7-bis(trideuteriomethyl)-4-(3,3,3-trifluoropropyl)quinolin-1-ium
CID 167321052
4-(4-tert-butyl-1-methylnaphthalen-2-yl)-8-[4-(2,2-dimethylpropyl)carbazol-9-yl]-3-methylbenzo[f]isoquinolin-3-ium
CID 171459317
4-(1,4-dimethylquinolin-1-ium-2-yl)-3-methyl-9-phenylcarbazole
CID 123557838
1-(4-tert-butyl-1-methylnaphthalen-2-yl)-6-carbazol-9-yl-2-methyl-[1]benzofuro[2,3-c]pyridin-2-ium
CID 171458845

Frequently Asked Questions

What is the IUPAC name of [9-[2-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylquinolin-1-ium-4-yl]carbazol-4-yl]-trimethylsilane?
The IUPAC name of [9-[2-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylquinolin-1-ium-4-yl]carbazol-4-yl]-trimethylsilane (CID 171459370) is [9-[2-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylquinolin-1-ium-4-yl]carbazol-4-yl]-trimethylsilane.
What is the SMILES notation for [9-[2-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylquinolin-1-ium-4-yl]carbazol-4-yl]-trimethylsilane?
The canonical SMILES for [9-[2-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylquinolin-1-ium-4-yl]carbazol-4-yl]-trimethylsilane is Cc1c(-c2cc(-n3c4ccccc4c4c([Si](C)(C)C)cccc43)c3ccccc3[n+]2C)cc(C(C)(C)C)c2ccccc12.
What is the InChIKey of [9-[2-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylquinolin-1-ium-4-yl]carbazol-4-yl]-trimethylsilane?
The InChIKey is RSUMLJIXIXXWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H41N2Si/c1-26-27-16-9-10-17-28(27)32(40(2,3)4)24-31(26)36-25-37(29-18-11-13-20-33(29)41(36)5)42-34-21-14-12-19-30(34)39-35(42)22-15-23-38(39)43(6,7)8/h9-25H,1-8H3/q+1.
What are the key properties of [9-[2-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylquinolin-1-ium-4-yl]carbazol-4-yl]-trimethylsilane?
[9-[2-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylquinolin-1-ium-4-yl]carbazol-4-yl]-trimethylsilane has a molecular weight of 577.87 g/mol, XLogP of 9.73, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [9-[2-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylquinolin-1-ium-4-yl]carbazol-4-yl]-trimethylsilane is sourced from PubChem (CID 171459370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).