trimethyl-[7-methyl-6-(1-methylpyridin-1-ium-2-yl)-4-(4-phenylphenyl)dibenzofuran-3-yl]germane

C34H32GeNO+ — CID 167357536

IUPACtrimethyl-[7-methyl-6-(1-methylpyridin-1-ium-2-yl)-4-(4-phenylphenyl)dibenzofuran-3-yl]germane
SMILESCc1ccc2c(oc3c(-c4ccc(-c5ccccc5)cc4)c([Ge](C)(C)C)ccc32)c1-c1cccc[n+]1C
InChIInChI=1S/C34H32GeNO/c1-23-14-19-27-28-20-21-29(35(2,3)4)32(26-17-15-25(16-18-26)24-11-7-6-8-12-24)34(28)37-33(27)31(23)30-13-9-10-22-36(30)5/h6-22H,1-5H3/q+1
InChIKeyFWDBFCSBPUNXGH-UHFFFAOYSA-N
MW543.25 g/mol
LogP8.27
Rot. Bonds4

About trimethyl-[7-methyl-6-(1-methylpyridin-1-ium-2-yl)-4-(4-phenylphenyl)dibenzofuran-3-yl]germane

trimethyl-[7-methyl-6-(1-methylpyridin-1-ium-2-yl)-4-(4-phenylphenyl)dibenzofuran-3-yl]germane (PubChem CID 167357536) has the molecular formula C34H32GeNO+ and a molecular weight of 543.25 g/mol. Its IUPAC name is trimethyl-[7-methyl-6-(1-methylpyridin-1-ium-2-yl)-4-(4-phenylphenyl)dibenzofuran-3-yl]germane.

Molecular Properties

Compound Nametrimethyl-[7-methyl-6-(1-methylpyridin-1-ium-2-yl)-4-(4-phenylphenyl)dibenzofuran-3-yl]germane
PubChem CID167357536
Molecular FormulaC34H32GeNO+
Molecular Weight543.25 g/mol
Exact Mass544.17
IUPAC Nametrimethyl-[7-methyl-6-(1-methylpyridin-1-ium-2-yl)-4-(4-phenylphenyl)dibenzofuran-3-yl]germane
SMILESCc1ccc2c(oc3c(-c4ccc(-c5ccccc5)cc4)c([Ge](C)(C)C)ccc32)c1-c1cccc[n+]1C
InChIInChI=1S/C34H32GeNO/c1-23-14-19-27-28-20-21-29(35(2,3)4)32(26-17-15-25(16-18-26)24-11-7-6-8-12-24)34(28)37-33(27)31(23)30-13-9-10-22-36(30)5/h6-22H,1-5H3/q+1
InChIKeyFWDBFCSBPUNXGH-UHFFFAOYSA-N
XLogP8.27
TPSA17.02 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.25
LogP ≤ 58.27
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-butylphenyl)-7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-3-yl]-trimethylgermane
CID 167358100
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)-4-(4-phenylphenyl)-9-trimethylgermyldibenzofuran-3-carbonitrile
CID 164849540
2-[7-fluoro-3-methyl-6-(4-pyridin-4-ylphenyl)dibenzofuran-4-yl]-1-methylpyridin-1-ium
CID 164849988
2-(3,8-dimethyl-6-phenyldibenzofuran-4-yl)-1-methylpyridin-1-ium
CID 167357356
2-[7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine
CID 176787862
[4-[3-fluoro-7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-4-yl]phenyl]-methyl-phenylborane
CID 166038418
1,7-dimethyl-6-(1-methylpyridin-1-ium-2-yl)-4-(4-phenylphenyl)dibenzofuran-3-carbonitrile
CID 164849164
2-[6-(2,3-dihydro-1H-inden-5-yl)-3,7-dimethyldibenzofuran-4-yl]-1-methylpyridin-1-ium
CID 166051369
7-methyl-6-(1-methylpyridin-1-ium-2-yl)-3-phenyldibenzofuran-4-carbonitrile
CID 167357518
7-methyl-8-(1-methylpyridin-1-ium-2-yl)-2-phenyl-[1]benzofuro[2,3-b]pyridine
CID 164798137
2-(7-fluoro-3,6-dimethyldibenzofuran-4-yl)-1-methylpyridin-1-ium
CID 153003317

Frequently Asked Questions

What is the IUPAC name of trimethyl-[7-methyl-6-(1-methylpyridin-1-ium-2-yl)-4-(4-phenylphenyl)dibenzofuran-3-yl]germane?
The IUPAC name of trimethyl-[7-methyl-6-(1-methylpyridin-1-ium-2-yl)-4-(4-phenylphenyl)dibenzofuran-3-yl]germane (CID 167357536) is trimethyl-[7-methyl-6-(1-methylpyridin-1-ium-2-yl)-4-(4-phenylphenyl)dibenzofuran-3-yl]germane.
What is the SMILES notation for trimethyl-[7-methyl-6-(1-methylpyridin-1-ium-2-yl)-4-(4-phenylphenyl)dibenzofuran-3-yl]germane?
The canonical SMILES for trimethyl-[7-methyl-6-(1-methylpyridin-1-ium-2-yl)-4-(4-phenylphenyl)dibenzofuran-3-yl]germane is Cc1ccc2c(oc3c(-c4ccc(-c5ccccc5)cc4)c([Ge](C)(C)C)ccc32)c1-c1cccc[n+]1C.
What is the InChIKey of trimethyl-[7-methyl-6-(1-methylpyridin-1-ium-2-yl)-4-(4-phenylphenyl)dibenzofuran-3-yl]germane?
The InChIKey is FWDBFCSBPUNXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32GeNO/c1-23-14-19-27-28-20-21-29(35(2,3)4)32(26-17-15-25(16-18-26)24-11-7-6-8-12-24)34(28)37-33(27)31(23)30-13-9-10-22-36(30)5/h6-22H,1-5H3/q+1.
What are the key properties of trimethyl-[7-methyl-6-(1-methylpyridin-1-ium-2-yl)-4-(4-phenylphenyl)dibenzofuran-3-yl]germane?
trimethyl-[7-methyl-6-(1-methylpyridin-1-ium-2-yl)-4-(4-phenylphenyl)dibenzofuran-3-yl]germane has a molecular weight of 543.25 g/mol, XLogP of 8.27, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[7-methyl-6-(1-methylpyridin-1-ium-2-yl)-4-(4-phenylphenyl)dibenzofuran-3-yl]germane is sourced from PubChem (CID 167357536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).