[9-[1-(4-tert-butyl-1-methylnaphthalen-2-yl)-2-methylisoquinolin-2-ium-6-yl]carbazol-1-yl]-trimethylgermane

C40H41GeN2+ — CID 171459239

IUPAC[9-[1-(4-tert-butyl-1-methylnaphthalen-2-yl)-2-methylisoquinolin-2-ium-6-yl]carbazol-1-yl]-trimethylgermane
SMILESCc1c(-c2c3ccc(-n4c5ccccc5c5cccc([Ge](C)(C)C)c54)cc3cc[n+]2C)cc(C(C)(C)C)c2ccccc12
InChIInChI=1S/C40H41GeN2/c1-26-29-14-9-10-15-31(29)35(40(2,3)4)25-34(26)38-30-21-20-28(24-27(30)22-23-42(38)8)43-37-19-12-11-16-32(37)33-17-13-18-36(39(33)43)41(5,6)7/h9-25H,1-8H3/q+1
InChIKeyYZXNGPDYPHRVKX-UHFFFAOYSA-N
MW622.39 g/mol
LogP9.73
Rot. Bonds3

About [9-[1-(4-tert-butyl-1-methylnaphthalen-2-yl)-2-methylisoquinolin-2-ium-6-yl]carbazol-1-yl]-trimethylgermane

[9-[1-(4-tert-butyl-1-methylnaphthalen-2-yl)-2-methylisoquinolin-2-ium-6-yl]carbazol-1-yl]-trimethylgermane (PubChem CID 171459239) has the molecular formula C40H41GeN2+ and a molecular weight of 622.39 g/mol. Its IUPAC name is [9-[1-(4-tert-butyl-1-methylnaphthalen-2-yl)-2-methylisoquinolin-2-ium-6-yl]carbazol-1-yl]-trimethylgermane.

Molecular Properties

Compound Name[9-[1-(4-tert-butyl-1-methylnaphthalen-2-yl)-2-methylisoquinolin-2-ium-6-yl]carbazol-1-yl]-trimethylgermane
PubChem CID171459239
Molecular FormulaC40H41GeN2+
Molecular Weight622.39 g/mol
Exact Mass623.25
IUPAC Name[9-[1-(4-tert-butyl-1-methylnaphthalen-2-yl)-2-methylisoquinolin-2-ium-6-yl]carbazol-1-yl]-trimethylgermane
SMILESCc1c(-c2c3ccc(-n4c5ccccc5c5cccc([Ge](C)(C)C)c54)cc3cc[n+]2C)cc(C(C)(C)C)c2ccccc12
InChIInChI=1S/C40H41GeN2/c1-26-29-14-9-10-15-31(29)35(40(2,3)4)25-34(26)38-30-21-20-28(24-27(30)22-23-42(38)8)43-37-19-12-11-16-32(37)33-17-13-18-36(39(33)43)41(5,6)7/h9-25H,1-8H3/q+1
InChIKeyYZXNGPDYPHRVKX-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 ≤ 500622.39
LogP ≤ 59.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(4-tert-butyl-1-methylnaphthalen-2-yl)-8-[3-(2,2-dimethylpropyl)carbazol-9-yl]-3-methylbenzo[f]isoquinolin-3-ium
CID 171459458
4-(4-tert-butyl-1-methylnaphthalen-2-yl)-8-[4-(2,2-dimethylpropyl)carbazol-9-yl]-3-methylbenzo[f]isoquinolin-3-ium
CID 171459317
1-(4-tert-butyl-1-methylnaphthalen-2-yl)-2-methylisoquinolin-2-ium
CID 166054743
1-(4-tert-butyl-1-methylnaphthalen-2-yl)-6-carbazol-9-yl-2-methyl-[1]benzofuro[2,3-c]pyridin-2-ium
CID 171458845
4-(4-tert-butyl-1-methylnaphthalen-2-yl)-7-(2-fluorocarbazol-9-yl)-3-methylbenzo[f]isoquinolin-3-ium
CID 171459459
9-[1-(1,4-dimethylnaphthalen-2-yl)-2-methylisoquinolin-2-ium-7-yl]carbazole
CID 171459062
1-(4-tert-butyl-1-methylnaphthalen-2-yl)-6-carbazol-9-yl-2-methyl-[1]benzofuro[3,2-c]pyridin-2-ium
CID 171459238
9-[2-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylquinolin-1-ium-7-yl]carbazole
CID 171458941
2-cyclopentyl-9-[2-methyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium-6-yl]carbazole
CID 171459340
2-tert-butyl-9-(4-carbazol-9-yl-1-methylpyridin-1-ium-2-yl)-1-methylcarbazole
CID 155769608
1-(4-tert-butyl-1-methylnaphthalen-2-yl)-8-(2,2-dimethylpropyl)-2-methyl-2,7-phenanthrolin-2-ium
CID 156667184
9-[1-(1,4-dimethylnaphthalen-2-yl)-2-methylisoquinolin-2-ium-5-yl]carbazole
CID 171458919

Frequently Asked Questions

What is the IUPAC name of [9-[1-(4-tert-butyl-1-methylnaphthalen-2-yl)-2-methylisoquinolin-2-ium-6-yl]carbazol-1-yl]-trimethylgermane?
The IUPAC name of [9-[1-(4-tert-butyl-1-methylnaphthalen-2-yl)-2-methylisoquinolin-2-ium-6-yl]carbazol-1-yl]-trimethylgermane (CID 171459239) is [9-[1-(4-tert-butyl-1-methylnaphthalen-2-yl)-2-methylisoquinolin-2-ium-6-yl]carbazol-1-yl]-trimethylgermane.
What is the SMILES notation for [9-[1-(4-tert-butyl-1-methylnaphthalen-2-yl)-2-methylisoquinolin-2-ium-6-yl]carbazol-1-yl]-trimethylgermane?
The canonical SMILES for [9-[1-(4-tert-butyl-1-methylnaphthalen-2-yl)-2-methylisoquinolin-2-ium-6-yl]carbazol-1-yl]-trimethylgermane is Cc1c(-c2c3ccc(-n4c5ccccc5c5cccc([Ge](C)(C)C)c54)cc3cc[n+]2C)cc(C(C)(C)C)c2ccccc12.
What is the InChIKey of [9-[1-(4-tert-butyl-1-methylnaphthalen-2-yl)-2-methylisoquinolin-2-ium-6-yl]carbazol-1-yl]-trimethylgermane?
The InChIKey is YZXNGPDYPHRVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H41GeN2/c1-26-29-14-9-10-15-31(29)35(40(2,3)4)25-34(26)38-30-21-20-28(24-27(30)22-23-42(38)8)43-37-19-12-11-16-32(37)33-17-13-18-36(39(33)43)41(5,6)7/h9-25H,1-8H3/q+1.
What are the key properties of [9-[1-(4-tert-butyl-1-methylnaphthalen-2-yl)-2-methylisoquinolin-2-ium-6-yl]carbazol-1-yl]-trimethylgermane?
[9-[1-(4-tert-butyl-1-methylnaphthalen-2-yl)-2-methylisoquinolin-2-ium-6-yl]carbazol-1-yl]-trimethylgermane has a molecular weight of 622.39 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-[1-(4-tert-butyl-1-methylnaphthalen-2-yl)-2-methylisoquinolin-2-ium-6-yl]carbazol-1-yl]-trimethylgermane is sourced from PubChem (CID 171459239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).