[4-(4-tert-butylphenyl)-7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-3-yl]-trimethylgermane

C32H36GeNO+ — CID 167358100

IUPAC[4-(4-tert-butylphenyl)-7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-3-yl]-trimethylgermane
SMILESCc1ccc2c(oc3c(-c4ccc(C(C)(C)C)cc4)c([Ge](C)(C)C)ccc32)c1-c1cccc[n+]1C
InChIInChI=1S/C32H36GeNO/c1-21-12-17-24-25-18-19-26(33(5,6)7)29(22-13-15-23(16-14-22)32(2,3)4)31(25)35-30(24)28(21)27-11-9-10-20-34(27)8/h9-20H,1-8H3/q+1
InChIKeyZPFGBMMNJNLAIM-UHFFFAOYSA-N
MW523.26 g/mol
LogP7.90
Rot. Bonds3

About [4-(4-tert-butylphenyl)-7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-3-yl]-trimethylgermane

[4-(4-tert-butylphenyl)-7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-3-yl]-trimethylgermane (PubChem CID 167358100) has the molecular formula C32H36GeNO+ and a molecular weight of 523.26 g/mol. Its IUPAC name is [4-(4-tert-butylphenyl)-7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-3-yl]-trimethylgermane.

Molecular Properties

Compound Name[4-(4-tert-butylphenyl)-7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-3-yl]-trimethylgermane
PubChem CID167358100
Molecular FormulaC32H36GeNO+
Molecular Weight523.26 g/mol
Exact Mass524.20
IUPAC Name[4-(4-tert-butylphenyl)-7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-3-yl]-trimethylgermane
SMILESCc1ccc2c(oc3c(-c4ccc(C(C)(C)C)cc4)c([Ge](C)(C)C)ccc32)c1-c1cccc[n+]1C
InChIInChI=1S/C32H36GeNO/c1-21-12-17-24-25-18-19-26(33(5,6)7)29(22-13-15-23(16-14-22)32(2,3)4)31(25)35-30(24)28(21)27-11-9-10-20-34(27)8/h9-20H,1-8H3/q+1
InChIKeyZPFGBMMNJNLAIM-UHFFFAOYSA-N
XLogP7.90
TPSA17.02 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.26
LogP ≤ 57.90
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

trimethyl-[7-methyl-6-(1-methylpyridin-1-ium-2-yl)-4-(4-phenylphenyl)dibenzofuran-3-yl]germane
CID 167357536
2-[7-fluoro-3-methyl-6-(4-pyridin-4-ylphenyl)dibenzofuran-4-yl]-1-methylpyridin-1-ium
CID 164849988
2-[6-(2,3-dihydro-1H-inden-5-yl)-3,7-dimethyldibenzofuran-4-yl]-1-methylpyridin-1-ium
CID 166051369
2-(7-fluoro-3,6-dimethyldibenzofuran-4-yl)-1-methylpyridin-1-ium
CID 153003317
1-methyl-2-(3-methyl-6-naphthalen-2-yldibenzofuran-4-yl)pyridin-1-ium
CID 167357317
7-methyl-6-(1-methylpyridin-1-ium-2-yl)-4-naphthalen-2-yl-2-trimethylgermyldibenzofuran-3-carbonitrile
CID 167357908
4-[4-(2,2-dimethylpropyl)phenyl]-7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-3-carbonitrile
CID 166037922
[4-[3-fluoro-7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-4-yl]phenyl]-methyl-phenylborane
CID 166038418
2-(6-dibenzofuran-3-yl-7-fluoro-3-methyldibenzofuran-4-yl)-1-methylpyridin-1-ium
CID 164849736
3-[4-(3-tert-butylphenyl)phenyl]-7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-4-carbonitrile
CID 164849945
2-[7-fluoro-3-methyl-6-[3-(2-phenylpropan-2-yl)phenyl]dibenzofuran-4-yl]-1-methylpyridin-1-ium
CID 166038397
3,7-dimethyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-4-carbonitrile
CID 158413587

Frequently Asked Questions

What is the IUPAC name of [4-(4-tert-butylphenyl)-7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-3-yl]-trimethylgermane?
The IUPAC name of [4-(4-tert-butylphenyl)-7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-3-yl]-trimethylgermane (CID 167358100) is [4-(4-tert-butylphenyl)-7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-3-yl]-trimethylgermane.
What is the SMILES notation for [4-(4-tert-butylphenyl)-7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-3-yl]-trimethylgermane?
The canonical SMILES for [4-(4-tert-butylphenyl)-7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-3-yl]-trimethylgermane is Cc1ccc2c(oc3c(-c4ccc(C(C)(C)C)cc4)c([Ge](C)(C)C)ccc32)c1-c1cccc[n+]1C.
What is the InChIKey of [4-(4-tert-butylphenyl)-7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-3-yl]-trimethylgermane?
The InChIKey is ZPFGBMMNJNLAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36GeNO/c1-21-12-17-24-25-18-19-26(33(5,6)7)29(22-13-15-23(16-14-22)32(2,3)4)31(25)35-30(24)28(21)27-11-9-10-20-34(27)8/h9-20H,1-8H3/q+1.
What are the key properties of [4-(4-tert-butylphenyl)-7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-3-yl]-trimethylgermane?
[4-(4-tert-butylphenyl)-7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-3-yl]-trimethylgermane has a molecular weight of 523.26 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-(4-tert-butylphenyl)-7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-3-yl]-trimethylgermane is sourced from PubChem (CID 167358100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).