6-(4-fluoro-1-methyl-5-trimethylgermylpyridin-1-ium-2-yl)-7-methyl-4-(4-phenylphenyl)dibenzofuran-3-carbonitrile

C35H30FGeN2O+ — CID 169282789

IUPAC6-(4-fluoro-1-methyl-5-trimethylgermylpyridin-1-ium-2-yl)-7-methyl-4-(4-phenylphenyl)dibenzofuran-3-carbonitrile
SMILESCc1ccc2c(oc3c(-c4ccc(-c5ccccc5)cc4)c(C#N)ccc32)c1-c1cc(F)c([Ge](C)(C)C)c[n+]1C
InChIInChI=1S/C35H30FGeN2O/c1-22-11-17-27-28-18-16-26(20-38)33(25-14-12-24(13-15-25)23-9-7-6-8-10-23)35(28)40-34(27)32(22)31-19-29(36)30(21-39(31)5)37(2,3)4/h6-19,21H,1-5H3/q+1
InChIKeyPIWHZNOFASLNTJ-UHFFFAOYSA-N
MW586.25 g/mol
LogP8.28
Rot. Bonds4

About 6-(4-fluoro-1-methyl-5-trimethylgermylpyridin-1-ium-2-yl)-7-methyl-4-(4-phenylphenyl)dibenzofuran-3-carbonitrile

6-(4-fluoro-1-methyl-5-trimethylgermylpyridin-1-ium-2-yl)-7-methyl-4-(4-phenylphenyl)dibenzofuran-3-carbonitrile (PubChem CID 169282789) has the molecular formula C35H30FGeN2O+ and a molecular weight of 586.25 g/mol. Its IUPAC name is 6-(4-fluoro-1-methyl-5-trimethylgermylpyridin-1-ium-2-yl)-7-methyl-4-(4-phenylphenyl)dibenzofuran-3-carbonitrile.

Molecular Properties

Compound Name6-(4-fluoro-1-methyl-5-trimethylgermylpyridin-1-ium-2-yl)-7-methyl-4-(4-phenylphenyl)dibenzofuran-3-carbonitrile
PubChem CID169282789
Molecular FormulaC35H30FGeN2O+
Molecular Weight586.25 g/mol
Exact Mass587.15
IUPAC Name6-(4-fluoro-1-methyl-5-trimethylgermylpyridin-1-ium-2-yl)-7-methyl-4-(4-phenylphenyl)dibenzofuran-3-carbonitrile
SMILESCc1ccc2c(oc3c(-c4ccc(-c5ccccc5)cc4)c(C#N)ccc32)c1-c1cc(F)c([Ge](C)(C)C)c[n+]1C
InChIInChI=1S/C35H30FGeN2O/c1-22-11-17-27-28-18-16-26(20-38)33(25-14-12-24(13-15-25)23-9-7-6-8-10-23)35(28)40-34(27)32(22)31-19-29(36)30(21-39(31)5)37(2,3)4/h6-19,21H,1-5H3/q+1
InChIKeyPIWHZNOFASLNTJ-UHFFFAOYSA-N
XLogP8.28
TPSA40.81 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.25
LogP ≤ 58.28
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

6-(1,5-dimethylpyridin-1-ium-2-yl)-7-methyl-4-[4-(3-phenylphenyl)phenyl]dibenzofuran-3-carbonitrile
CID 164850012
6-(4-tert-butyl-5-fluoro-1-methylpyridin-1-ium-2-yl)-7-methyl-4-(3-phenylphenyl)dibenzofuran-3-carbonitrile
CID 169282812
6-(5-fluoro-1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-4-naphthalen-2-yldibenzofuran-3-carbonitrile
CID 169282601
6-[3,6-dideuterio-5-fluoro-1-methyl-4-(trideuteriomethyl)pyridin-1-ium-2-yl]-7-methyl-4-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-carbonitrile
CID 169283066
4-dibenzofuran-3-yl-6-(5-fluoro-1-methylpyridin-1-ium-2-yl)-7-methyldibenzofuran-3-carbonitrile
CID 169282673
7-methyl-6-(1-methylpyridin-1-ium-2-yl)-4-(4-phenylphenyl)-9-trimethylgermyldibenzofuran-3-carbonitrile
CID 164849540
9-(5-fluoro-1-methylpyridin-1-ium-2-yl)-8-methyl-4-(4-phenylphenyl)dibenzofuran-3-carbonitrile
CID 169282714
6-(4-fluoro-1,5-dimethylpyridin-1-ium-2-yl)-7-methyl-3-phenyldibenzofuran-1-carbonitrile
CID 164778803
6-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-4-[4-(3-methylphenyl)phenyl]dibenzofuran-3-carbonitrile
CID 164849912
4-[4-(1-deuteriocyclopentyl)phenyl]-6-[4-fluoro-1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-7-methyldibenzofuran-3-carbonitrile
CID 166037899
7-methyl-6-(3-methyl-1,3-thiazol-3-ium-2-yl)-4-(4-phenylphenyl)dibenzofuran-3-carbonitrile
CID 164849329
4-[4-[dimethyl(phenyl)silyl]phenyl]-6-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyldibenzofuran-3-carbonitrile
CID 166038113

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluoro-1-methyl-5-trimethylgermylpyridin-1-ium-2-yl)-7-methyl-4-(4-phenylphenyl)dibenzofuran-3-carbonitrile?
The IUPAC name of 6-(4-fluoro-1-methyl-5-trimethylgermylpyridin-1-ium-2-yl)-7-methyl-4-(4-phenylphenyl)dibenzofuran-3-carbonitrile (CID 169282789) is 6-(4-fluoro-1-methyl-5-trimethylgermylpyridin-1-ium-2-yl)-7-methyl-4-(4-phenylphenyl)dibenzofuran-3-carbonitrile.
What is the SMILES notation for 6-(4-fluoro-1-methyl-5-trimethylgermylpyridin-1-ium-2-yl)-7-methyl-4-(4-phenylphenyl)dibenzofuran-3-carbonitrile?
The canonical SMILES for 6-(4-fluoro-1-methyl-5-trimethylgermylpyridin-1-ium-2-yl)-7-methyl-4-(4-phenylphenyl)dibenzofuran-3-carbonitrile is Cc1ccc2c(oc3c(-c4ccc(-c5ccccc5)cc4)c(C#N)ccc32)c1-c1cc(F)c([Ge](C)(C)C)c[n+]1C.
What is the InChIKey of 6-(4-fluoro-1-methyl-5-trimethylgermylpyridin-1-ium-2-yl)-7-methyl-4-(4-phenylphenyl)dibenzofuran-3-carbonitrile?
The InChIKey is PIWHZNOFASLNTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H30FGeN2O/c1-22-11-17-27-28-18-16-26(20-38)33(25-14-12-24(13-15-25)23-9-7-6-8-10-23)35(28)40-34(27)32(22)31-19-29(36)30(21-39(31)5)37(2,3)4/h6-19,21H,1-5H3/q+1.
What are the key properties of 6-(4-fluoro-1-methyl-5-trimethylgermylpyridin-1-ium-2-yl)-7-methyl-4-(4-phenylphenyl)dibenzofuran-3-carbonitrile?
6-(4-fluoro-1-methyl-5-trimethylgermylpyridin-1-ium-2-yl)-7-methyl-4-(4-phenylphenyl)dibenzofuran-3-carbonitrile has a molecular weight of 586.25 g/mol, XLogP of 8.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluoro-1-methyl-5-trimethylgermylpyridin-1-ium-2-yl)-7-methyl-4-(4-phenylphenyl)dibenzofuran-3-carbonitrile is sourced from PubChem (CID 169282789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).