2-[7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-4-yl]-5-trimethylgermylbenzonitrile

C29H27GeN2O+ — CID 166043450

IUPAC2-[7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-4-yl]-5-trimethylgermylbenzonitrile
SMILESCc1ccc2c(oc3c(-c4ccc([Ge](C)(C)C)cc4C#N)cccc32)c1-c1cccc[n+]1C
InChIInChI=1S/C29H27GeN2O/c1-19-12-14-25-24-10-8-9-23(22-15-13-21(30(2,3)4)17-20(22)18-31)28(24)33-29(25)27(19)26-11-6-7-16-32(26)5/h6-17H,1-5H3/q+1
InChIKeyXZANGKHTPOMDRK-UHFFFAOYSA-N
MW492.16 g/mol
LogP6.47
Rot. Bonds3

About 2-[7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-4-yl]-5-trimethylgermylbenzonitrile

2-[7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-4-yl]-5-trimethylgermylbenzonitrile (PubChem CID 166043450) has the molecular formula C29H27GeN2O+ and a molecular weight of 492.16 g/mol. Its IUPAC name is 2-[7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-4-yl]-5-trimethylgermylbenzonitrile.

Molecular Properties

Compound Name2-[7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-4-yl]-5-trimethylgermylbenzonitrile
PubChem CID166043450
Molecular FormulaC29H27GeN2O+
Molecular Weight492.16 g/mol
Exact Mass493.13
IUPAC Name2-[7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-4-yl]-5-trimethylgermylbenzonitrile
SMILESCc1ccc2c(oc3c(-c4ccc([Ge](C)(C)C)cc4C#N)cccc32)c1-c1cccc[n+]1C
InChIInChI=1S/C29H27GeN2O/c1-19-12-14-25-24-10-8-9-23(22-15-13-21(30(2,3)4)17-20(22)18-31)28(24)33-29(25)27(19)26-11-6-7-16-32(26)5/h6-17H,1-5H3/q+1
InChIKeyXZANGKHTPOMDRK-UHFFFAOYSA-N
XLogP6.47
TPSA40.81 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.16
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2,7-dimethyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-4-yl]benzonitrile
CID 166043398
2-[6-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyldibenzofuran-4-yl]benzonitrile
CID 166043452
2-[7,9-dimethyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-4-yl]benzonitrile
CID 166043460
1-methyl-2-[3-methyl-6-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)dibenzofuran-4-yl]pyridin-1-ium
CID 166052163
4-benzo[c]phenanthren-6-yl-7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-3-carbonitrile
CID 169077176
2-(2,4-dimethylphenyl)-7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-3-carbonitrile
CID 170253426
7-methyl-4-(3-methyl-4-phenylphenyl)-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-3-carbonitrile
CID 164849345
3,7-dimethyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-4-carbonitrile
CID 158413587
2-[6-(2,3-dihydrobenzo[g][1]benzofuran-4-yl)-3-methyldibenzofuran-4-yl]-1-methylpyridin-1-ium
CID 170239164
7-methyl-6-(1-methylpyridin-1-ium-2-yl)-2-phenanthren-9-yldibenzofuran-3-carbonitrile
CID 169077090
2-(2,4-dimethylphenyl)-7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-4-carbonitrile
CID 170253396
4-(9,9-dimethylfluoren-2-yl)-7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-3-carbonitrile
CID 164849563

Frequently Asked Questions

What is the IUPAC name of 2-[7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-4-yl]-5-trimethylgermylbenzonitrile?
The IUPAC name of 2-[7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-4-yl]-5-trimethylgermylbenzonitrile (CID 166043450) is 2-[7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-4-yl]-5-trimethylgermylbenzonitrile.
What is the SMILES notation for 2-[7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-4-yl]-5-trimethylgermylbenzonitrile?
The canonical SMILES for 2-[7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-4-yl]-5-trimethylgermylbenzonitrile is Cc1ccc2c(oc3c(-c4ccc([Ge](C)(C)C)cc4C#N)cccc32)c1-c1cccc[n+]1C.
What is the InChIKey of 2-[7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-4-yl]-5-trimethylgermylbenzonitrile?
The InChIKey is XZANGKHTPOMDRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27GeN2O/c1-19-12-14-25-24-10-8-9-23(22-15-13-21(30(2,3)4)17-20(22)18-31)28(24)33-29(25)27(19)26-11-6-7-16-32(26)5/h6-17H,1-5H3/q+1.
What are the key properties of 2-[7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-4-yl]-5-trimethylgermylbenzonitrile?
2-[7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-4-yl]-5-trimethylgermylbenzonitrile has a molecular weight of 492.16 g/mol, XLogP of 6.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-4-yl]-5-trimethylgermylbenzonitrile is sourced from PubChem (CID 166043450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).