7-methyl-8-(1-methylpyridin-1-ium-2-yl)-1-naphthalen-2-yl-[1]benzofuro[2,3-c]pyridine

C28H21N2O+ — CID 167357348

IUPAC7-methyl-8-(1-methylpyridin-1-ium-2-yl)-1-naphthalen-2-yl-[1]benzofuro[2,3-c]pyridine
SMILESCc1ccc2c(oc3c(-c4ccc5ccccc5c4)nccc32)c1-c1cccc[n+]1C
InChIInChI=1S/C28H21N2O/c1-18-10-13-22-23-14-15-29-26(21-12-11-19-7-3-4-8-20(19)17-21)28(23)31-27(22)25(18)24-9-5-6-16-30(24)2/h3-17H,1-2H3/q+1
InChIKeyHEDLOGYRALSXHZ-UHFFFAOYSA-N
MW401.49 g/mol
LogP6.60
Rot. Bonds2

About 7-methyl-8-(1-methylpyridin-1-ium-2-yl)-1-naphthalen-2-yl-[1]benzofuro[2,3-c]pyridine

7-methyl-8-(1-methylpyridin-1-ium-2-yl)-1-naphthalen-2-yl-[1]benzofuro[2,3-c]pyridine (PubChem CID 167357348) has the molecular formula C28H21N2O+ and a molecular weight of 401.49 g/mol. Its IUPAC name is 7-methyl-8-(1-methylpyridin-1-ium-2-yl)-1-naphthalen-2-yl-[1]benzofuro[2,3-c]pyridine.

Molecular Properties

Compound Name7-methyl-8-(1-methylpyridin-1-ium-2-yl)-1-naphthalen-2-yl-[1]benzofuro[2,3-c]pyridine
PubChem CID167357348
Molecular FormulaC28H21N2O+
Molecular Weight401.49 g/mol
Exact Mass401.16
IUPAC Name7-methyl-8-(1-methylpyridin-1-ium-2-yl)-1-naphthalen-2-yl-[1]benzofuro[2,3-c]pyridine
SMILESCc1ccc2c(oc3c(-c4ccc5ccccc5c4)nccc32)c1-c1cccc[n+]1C
InChIInChI=1S/C28H21N2O/c1-18-10-13-22-23-14-15-29-26(21-12-11-19-7-3-4-8-20(19)17-21)28(23)31-27(22)25(18)24-9-5-6-16-30(24)2/h3-17H,1-2H3/q+1
InChIKeyHEDLOGYRALSXHZ-UHFFFAOYSA-N
XLogP6.60
TPSA29.91 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.49
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7-methyl-8-(1-methylpyridin-1-ium-2-yl)-1-naphthalen-2-yl-[1]benzofuro[2,3-c]pyridine with MolForge

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Related Compounds

1-methyl-2-(3-methyl-6-naphthalen-2-yldibenzofuran-4-yl)pyridin-1-ium
CID 167357317
6-methyl-5-(1-methylpyridin-1-ium-2-yl)-3-oxa-20-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16(21),17,19-decaene
CID 171051653
7-methyl-6-(1-methylpyridin-1-ium-2-yl)-4-naphthalen-2-yl-2-trimethylgermyldibenzofuran-3-carbonitrile
CID 167357908
9-methyl-10-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-h]isoquinoline
CID 140827720
1-methyl-6-(3-methyl-6-naphthalen-2-yldibenzofuran-4-yl)pyrimidin-1-ium
CID 167357635
9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-h]quinoline
CID 140828029
6-(7-fluoro-3-methyl-6-naphthalen-2-yldibenzofuran-4-yl)-1-methylpyrimidin-1-ium
CID 164849742
4-isocyano-7-methyl-8-(1-methylpyridin-1-ium-2-yl)-2-naphthalen-2-yl-[1]benzofuro[2,3-b]pyridine
CID 164849446
2-[7-fluoro-3-methyl-6-(4-pyridin-4-ylphenyl)dibenzofuran-4-yl]-1-methylpyridin-1-ium
CID 164849988
7-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-b]pyridine
CID 123481860
2-(7-fluoro-3-methyl-6-naphthalen-2-yldibenzofuran-4-yl)-1-methyl-4-phenylpyridin-1-ium
CID 164849455
2-fluoro-7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine
CID 123627897

Frequently Asked Questions

What is the IUPAC name of 7-methyl-8-(1-methylpyridin-1-ium-2-yl)-1-naphthalen-2-yl-[1]benzofuro[2,3-c]pyridine?
The IUPAC name of 7-methyl-8-(1-methylpyridin-1-ium-2-yl)-1-naphthalen-2-yl-[1]benzofuro[2,3-c]pyridine (CID 167357348) is 7-methyl-8-(1-methylpyridin-1-ium-2-yl)-1-naphthalen-2-yl-[1]benzofuro[2,3-c]pyridine.
What is the SMILES notation for 7-methyl-8-(1-methylpyridin-1-ium-2-yl)-1-naphthalen-2-yl-[1]benzofuro[2,3-c]pyridine?
The canonical SMILES for 7-methyl-8-(1-methylpyridin-1-ium-2-yl)-1-naphthalen-2-yl-[1]benzofuro[2,3-c]pyridine is Cc1ccc2c(oc3c(-c4ccc5ccccc5c4)nccc32)c1-c1cccc[n+]1C.
What is the InChIKey of 7-methyl-8-(1-methylpyridin-1-ium-2-yl)-1-naphthalen-2-yl-[1]benzofuro[2,3-c]pyridine?
The InChIKey is HEDLOGYRALSXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21N2O/c1-18-10-13-22-23-14-15-29-26(21-12-11-19-7-3-4-8-20(19)17-21)28(23)31-27(22)25(18)24-9-5-6-16-30(24)2/h3-17H,1-2H3/q+1.
What are the key properties of 7-methyl-8-(1-methylpyridin-1-ium-2-yl)-1-naphthalen-2-yl-[1]benzofuro[2,3-c]pyridine?
7-methyl-8-(1-methylpyridin-1-ium-2-yl)-1-naphthalen-2-yl-[1]benzofuro[2,3-c]pyridine has a molecular weight of 401.49 g/mol, XLogP of 6.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-8-(1-methylpyridin-1-ium-2-yl)-1-naphthalen-2-yl-[1]benzofuro[2,3-c]pyridine is sourced from PubChem (CID 167357348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).