[9-[2-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylquinolin-1-ium-4-yl]carbazol-3-yl]-trimethylgermane

C40H41GeN2+ — CID 171459217

IUPAC[9-[2-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylquinolin-1-ium-4-yl]carbazol-3-yl]-trimethylgermane
SMILESCc1c(-c2cc(-n3c4ccccc4c4cc([Ge](C)(C)C)ccc43)c3ccccc3[n+]2C)cc(C(C)(C)C)c2ccccc12
InChIInChI=1S/C40H41GeN2/c1-26-28-15-9-10-16-29(28)34(40(2,3)4)24-32(26)38-25-39(31-18-12-13-19-35(31)42(38)8)43-36-20-14-11-17-30(36)33-23-27(41(5,6)7)21-22-37(33)43/h9-25H,1-8H3/q+1
InChIKeyYEXDHPVJPAWWCB-UHFFFAOYSA-N
MW622.39 g/mol
LogP9.73
Rot. Bonds3

About [9-[2-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylquinolin-1-ium-4-yl]carbazol-3-yl]-trimethylgermane

[9-[2-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylquinolin-1-ium-4-yl]carbazol-3-yl]-trimethylgermane (PubChem CID 171459217) has the molecular formula C40H41GeN2+ and a molecular weight of 622.39 g/mol. Its IUPAC name is [9-[2-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylquinolin-1-ium-4-yl]carbazol-3-yl]-trimethylgermane.

Molecular Properties

Compound Name[9-[2-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylquinolin-1-ium-4-yl]carbazol-3-yl]-trimethylgermane
PubChem CID171459217
Molecular FormulaC40H41GeN2+
Molecular Weight622.39 g/mol
Exact Mass623.25
IUPAC Name[9-[2-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylquinolin-1-ium-4-yl]carbazol-3-yl]-trimethylgermane
SMILESCc1c(-c2cc(-n3c4ccccc4c4cc([Ge](C)(C)C)ccc43)c3ccccc3[n+]2C)cc(C(C)(C)C)c2ccccc12
InChIInChI=1S/C40H41GeN2/c1-26-28-15-9-10-16-29(28)34(40(2,3)4)24-32(26)38-25-39(31-18-12-13-19-35(31)42(38)8)43-36-20-14-11-17-30(36)33-23-27(41(5,6)7)21-22-37(33)43/h9-25H,1-8H3/q+1
InChIKeyYEXDHPVJPAWWCB-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': 'het_pyridiniums_A(39)', '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]-2,7-di(propan-2-yl)carbazole
CID 171459115
[9-[2-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylquinolin-1-ium-4-yl]carbazol-4-yl]-trimethylsilane
CID 171459370
trimethyl-[9-[1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium-4-yl]carbazol-2-yl]germane
CID 171459403
9-[2-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylquinolin-1-ium-7-yl]carbazole
CID 171458941
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
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-methylquinolin-1-ium-6-yl]-trimethylsilane
CID 166054514
[9-[1-(4-tert-butyl-1-methylnaphthalen-2-yl)-2-methylisoquinolin-2-ium-6-yl]carbazol-1-yl]-trimethylgermane
CID 171459239
1-(4-tert-butyl-1-methylnaphthalen-2-yl)-6-carbazol-9-yl-2-methyl-[1]benzofuro[2,3-c]pyridin-2-ium
CID 171458845
9-(2,5-ditert-butylphenyl)carbazole
CID 143599034
(2,5-ditert-butyl-4-carbazol-9-ylphenyl)boronic acid
CID 167442176

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-3-yl]-trimethylgermane?
The IUPAC name of [9-[2-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylquinolin-1-ium-4-yl]carbazol-3-yl]-trimethylgermane (CID 171459217) is [9-[2-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylquinolin-1-ium-4-yl]carbazol-3-yl]-trimethylgermane.
What is the SMILES notation for [9-[2-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylquinolin-1-ium-4-yl]carbazol-3-yl]-trimethylgermane?
The canonical SMILES for [9-[2-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylquinolin-1-ium-4-yl]carbazol-3-yl]-trimethylgermane is Cc1c(-c2cc(-n3c4ccccc4c4cc([Ge](C)(C)C)ccc43)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-3-yl]-trimethylgermane?
The InChIKey is YEXDHPVJPAWWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H41GeN2/c1-26-28-15-9-10-16-29(28)34(40(2,3)4)24-32(26)38-25-39(31-18-12-13-19-35(31)42(38)8)43-36-20-14-11-17-30(36)33-23-27(41(5,6)7)21-22-37(33)43/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-3-yl]-trimethylgermane?
[9-[2-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylquinolin-1-ium-4-yl]carbazol-3-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-[2-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylquinolin-1-ium-4-yl]carbazol-3-yl]-trimethylgermane is sourced from PubChem (CID 171459217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).