2-(7-fluoro-3-methyl-6-naphthalen-2-yldibenzofuran-4-yl)-1-methyl-4-phenylpyridin-1-ium

C35H25FNO+ — CID 164849455

IUPAC2-(7-fluoro-3-methyl-6-naphthalen-2-yldibenzofuran-4-yl)-1-methyl-4-phenylpyridin-1-ium
SMILESCc1ccc2c(oc3c(-c4ccc5ccccc5c4)c(F)ccc32)c1-c1cc(-c2ccccc2)cc[n+]1C
InChIInChI=1S/C35H25FNO/c1-22-12-15-28-29-16-17-30(36)33(27-14-13-24-10-6-7-11-25(24)20-27)35(29)38-34(28)32(22)31-21-26(18-19-37(31)2)23-8-4-3-5-9-23/h3-21H,1-2H3/q+1
InChIKeyOZAWCCIEZPCUFE-UHFFFAOYSA-N
MW494.59 g/mol
LogP9.01
Rot. Bonds3

About 2-(7-fluoro-3-methyl-6-naphthalen-2-yldibenzofuran-4-yl)-1-methyl-4-phenylpyridin-1-ium

2-(7-fluoro-3-methyl-6-naphthalen-2-yldibenzofuran-4-yl)-1-methyl-4-phenylpyridin-1-ium (PubChem CID 164849455) has the molecular formula C35H25FNO+ and a molecular weight of 494.59 g/mol. Its IUPAC name is 2-(7-fluoro-3-methyl-6-naphthalen-2-yldibenzofuran-4-yl)-1-methyl-4-phenylpyridin-1-ium.

Molecular Properties

Compound Name2-(7-fluoro-3-methyl-6-naphthalen-2-yldibenzofuran-4-yl)-1-methyl-4-phenylpyridin-1-ium
PubChem CID164849455
Molecular FormulaC35H25FNO+
Molecular Weight494.59 g/mol
Exact Mass494.19
IUPAC Name2-(7-fluoro-3-methyl-6-naphthalen-2-yldibenzofuran-4-yl)-1-methyl-4-phenylpyridin-1-ium
SMILESCc1ccc2c(oc3c(-c4ccc5ccccc5c4)c(F)ccc32)c1-c1cc(-c2ccccc2)cc[n+]1C
InChIInChI=1S/C35H25FNO/c1-22-12-15-28-29-16-17-30(36)33(27-14-13-24-10-6-7-11-25(24)20-27)35(29)38-34(28)32(22)31-21-26(18-19-37(31)2)23-8-4-3-5-9-23/h3-21H,1-2H3/q+1
InChIKeyOZAWCCIEZPCUFE-UHFFFAOYSA-N
XLogP9.01
TPSA17.02 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.59
LogP ≤ 59.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(7-fluoro-3-methyl-6-naphthalen-2-yldibenzofuran-4-yl)-1-methyl-4-phenylpyridin-1-ium with MolForge

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Related Compounds

2-[7-fluoro-3-methyl-6-(3-phenylphenyl)dibenzofuran-4-yl]-1,4-dimethylpyridin-1-ium
CID 164849884
1-methyl-2-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)-4-(4-methylphenyl)pyridin-1-ium
CID 157188990
2-[6-(4-cyclopentylphenyl)-7-fluoro-3-methyldibenzofuran-4-yl]-1-methyl-4-phenylpyridin-1-ium
CID 166038359
2-(3,6-dimethyldibenzofuran-4-yl)-1-methyl-4-phenylpyridin-1-ium
CID 147431002
6-(7-fluoro-3-methyl-6-naphthalen-2-yldibenzofuran-4-yl)-1-methylpyrimidin-1-ium
CID 164849742
1-methyl-2-(3-methyldibenzofuran-4-yl)-4-phenylpyridin-1-ium
CID 123854314
2-[7-fluoro-3-methyl-6-[3-(4-propan-2-ylphenyl)phenyl]dibenzofuran-4-yl]-1-methylpyridin-1-ium
CID 164849664
2-[7-fluoro-3-methyl-6-(3-phenylphenyl)dibenzofuran-4-yl]-3-methyl-1,3-thiazol-3-ium
CID 164850003
4-[4-fluoro-2,6-di(propan-2-yl)phenyl]-1-methyl-2-(3-methyl-7-phenyldibenzofuran-4-yl)pyridin-1-ium
CID 171723976
7-[3-fluoro-7-methyl-6-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)dibenzofuran-4-yl]quinoline
CID 164849301
2-[6-(1-benzothiophen-5-yl)-7-fluoro-3-methyldibenzofuran-4-yl]-1-methylpyridin-1-ium
CID 164849901
2-[7-fluoro-3-methyl-6-(4-phenylphenyl)dibenzofuran-4-yl]-1,4-dimethyl-5-propan-2-ylpyridin-1-ium
CID 167357630

Frequently Asked Questions

What is the IUPAC name of 2-(7-fluoro-3-methyl-6-naphthalen-2-yldibenzofuran-4-yl)-1-methyl-4-phenylpyridin-1-ium?
The IUPAC name of 2-(7-fluoro-3-methyl-6-naphthalen-2-yldibenzofuran-4-yl)-1-methyl-4-phenylpyridin-1-ium (CID 164849455) is 2-(7-fluoro-3-methyl-6-naphthalen-2-yldibenzofuran-4-yl)-1-methyl-4-phenylpyridin-1-ium.
What is the SMILES notation for 2-(7-fluoro-3-methyl-6-naphthalen-2-yldibenzofuran-4-yl)-1-methyl-4-phenylpyridin-1-ium?
The canonical SMILES for 2-(7-fluoro-3-methyl-6-naphthalen-2-yldibenzofuran-4-yl)-1-methyl-4-phenylpyridin-1-ium is Cc1ccc2c(oc3c(-c4ccc5ccccc5c4)c(F)ccc32)c1-c1cc(-c2ccccc2)cc[n+]1C.
What is the InChIKey of 2-(7-fluoro-3-methyl-6-naphthalen-2-yldibenzofuran-4-yl)-1-methyl-4-phenylpyridin-1-ium?
The InChIKey is OZAWCCIEZPCUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H25FNO/c1-22-12-15-28-29-16-17-30(36)33(27-14-13-24-10-6-7-11-25(24)20-27)35(29)38-34(28)32(22)31-21-26(18-19-37(31)2)23-8-4-3-5-9-23/h3-21H,1-2H3/q+1.
What are the key properties of 2-(7-fluoro-3-methyl-6-naphthalen-2-yldibenzofuran-4-yl)-1-methyl-4-phenylpyridin-1-ium?
2-(7-fluoro-3-methyl-6-naphthalen-2-yldibenzofuran-4-yl)-1-methyl-4-phenylpyridin-1-ium has a molecular weight of 494.59 g/mol, XLogP of 9.01, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-fluoro-3-methyl-6-naphthalen-2-yldibenzofuran-4-yl)-1-methyl-4-phenylpyridin-1-ium is sourced from PubChem (CID 164849455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).