1-methyl-2-[3-methyl-7-(5-methylbenzo[b][1]benzogermol-5-yl)dibenzofuran-4-yl]pyridin-1-ium

C32H26GeNO+ — CID 169077096

IUPAC1-methyl-2-[3-methyl-7-(5-methylbenzo[b][1]benzogermol-5-yl)dibenzofuran-4-yl]pyridin-1-ium
SMILESCc1ccc2c(oc3cc([Ge]4(C)c5ccccc5-c5ccccc54)ccc32)c1-c1cccc[n+]1C
InChIInChI=1S/C32H26GeNO/c1-21-15-17-26-25-18-16-22(20-30(25)35-32(26)31(21)29-14-8-9-19-34(29)3)33(2)27-12-6-4-10-23(27)24-11-5-7-13-28(24)33/h4-20H,1-3H3/q+1
InChIKeyFBOIDKNXXAHRKM-UHFFFAOYSA-N
MW513.18 g/mol
LogP5.47
Rot. Bonds2

About 1-methyl-2-[3-methyl-7-(5-methylbenzo[b][1]benzogermol-5-yl)dibenzofuran-4-yl]pyridin-1-ium

1-methyl-2-[3-methyl-7-(5-methylbenzo[b][1]benzogermol-5-yl)dibenzofuran-4-yl]pyridin-1-ium (PubChem CID 169077096) has the molecular formula C32H26GeNO+ and a molecular weight of 513.18 g/mol. Its IUPAC name is 1-methyl-2-[3-methyl-7-(5-methylbenzo[b][1]benzogermol-5-yl)dibenzofuran-4-yl]pyridin-1-ium.

Molecular Properties

Compound Name1-methyl-2-[3-methyl-7-(5-methylbenzo[b][1]benzogermol-5-yl)dibenzofuran-4-yl]pyridin-1-ium
PubChem CID169077096
Molecular FormulaC32H26GeNO+
Molecular Weight513.18 g/mol
Exact Mass514.12
IUPAC Name1-methyl-2-[3-methyl-7-(5-methylbenzo[b][1]benzogermol-5-yl)dibenzofuran-4-yl]pyridin-1-ium
SMILESCc1ccc2c(oc3cc([Ge]4(C)c5ccccc5-c5ccccc54)ccc32)c1-c1cccc[n+]1C
InChIInChI=1S/C32H26GeNO/c1-21-15-17-26-25-18-16-22(20-30(25)35-32(26)31(21)29-14-8-9-19-34(29)3)33(2)27-12-6-4-10-23(27)24-11-5-7-13-28(24)33/h4-20H,1-3H3/q+1
InChIKeyFBOIDKNXXAHRKM-UHFFFAOYSA-N
XLogP5.47
TPSA17.02 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.18
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-methyl-2-[3-methyl-7-(5-methylbenzo[b][1]benzogermol-5-yl)dibenzofuran-4-yl]pyridin-1-ium with MolForge

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Related Compounds

trimethyl-[7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-3-yl]silane
CID 167358131
7-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-b]pyridine
CID 123481860
1-methyl-2-(3'-methylspiro[cyclopentane-1,11'-fluoreno[3,2-b][1]benzofuran]-4'-yl)pyridin-1-ium
CID 155648941
2-[6-deuterio-3-methyl-7-(4-phenylphenyl)dibenzofuran-4-yl]-1-methylpyridin-1-ium
CID 167357869
7-methyl-6-(1-methylpyridin-1-ium-2-yl)-2-phenanthren-9-yldibenzofuran-3-carbonitrile
CID 169077090
2-(6-dibenzofuran-3-yl-7-fluoro-3-methyldibenzofuran-4-yl)-1-methylpyridin-1-ium
CID 164849736
1-methyl-2-[3-methyl-7-(1,1,3,3-tetramethyl-2H-inden-5-yl)dibenzofuran-4-yl]pyridin-1-ium
CID 167357324
2-(2,4-dimethylphenyl)-7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-3-carbonitrile
CID 170253426
2-(3,8-dimethyl-6-phenyldibenzofuran-4-yl)-1-methylpyridin-1-ium
CID 167357356
1-methyl-2-(3-methyl-6-naphthalen-2-yldibenzofuran-4-yl)pyridin-1-ium
CID 167357317
2-[7-fluoro-3-methyl-8-(2-methyl-4-phenylphenyl)dibenzofuran-4-yl]-1-methylpyridin-1-ium
CID 164849679
2-(7-fluoro-3,6-dimethyldibenzofuran-4-yl)-1-methylpyridin-1-ium
CID 153003317

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[3-methyl-7-(5-methylbenzo[b][1]benzogermol-5-yl)dibenzofuran-4-yl]pyridin-1-ium?
The IUPAC name of 1-methyl-2-[3-methyl-7-(5-methylbenzo[b][1]benzogermol-5-yl)dibenzofuran-4-yl]pyridin-1-ium (CID 169077096) is 1-methyl-2-[3-methyl-7-(5-methylbenzo[b][1]benzogermol-5-yl)dibenzofuran-4-yl]pyridin-1-ium.
What is the SMILES notation for 1-methyl-2-[3-methyl-7-(5-methylbenzo[b][1]benzogermol-5-yl)dibenzofuran-4-yl]pyridin-1-ium?
The canonical SMILES for 1-methyl-2-[3-methyl-7-(5-methylbenzo[b][1]benzogermol-5-yl)dibenzofuran-4-yl]pyridin-1-ium is Cc1ccc2c(oc3cc([Ge]4(C)c5ccccc5-c5ccccc54)ccc32)c1-c1cccc[n+]1C.
What is the InChIKey of 1-methyl-2-[3-methyl-7-(5-methylbenzo[b][1]benzogermol-5-yl)dibenzofuran-4-yl]pyridin-1-ium?
The InChIKey is FBOIDKNXXAHRKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26GeNO/c1-21-15-17-26-25-18-16-22(20-30(25)35-32(26)31(21)29-14-8-9-19-34(29)3)33(2)27-12-6-4-10-23(27)24-11-5-7-13-28(24)33/h4-20H,1-3H3/q+1.
What are the key properties of 1-methyl-2-[3-methyl-7-(5-methylbenzo[b][1]benzogermol-5-yl)dibenzofuran-4-yl]pyridin-1-ium?
1-methyl-2-[3-methyl-7-(5-methylbenzo[b][1]benzogermol-5-yl)dibenzofuran-4-yl]pyridin-1-ium has a molecular weight of 513.18 g/mol, XLogP of 5.47, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[3-methyl-7-(5-methylbenzo[b][1]benzogermol-5-yl)dibenzofuran-4-yl]pyridin-1-ium is sourced from PubChem (CID 169077096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).