2-methyl-1-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)pyridin-1-ium

C23H18NO+ — CID 170402833

IUPAC2-methyl-1-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)pyridin-1-ium
SMILESCc1ccc2c(oc3c4ccccc4ccc23)c1-[n+]1ccccc1C
InChIInChI=1S/C23H18NO/c1-15-10-12-20-19-13-11-17-8-3-4-9-18(17)22(19)25-23(20)21(15)24-14-6-5-7-16(24)2/h3-14H,1-2H3/q+1
InChIKeyLWUNAHRAJIVCKR-UHFFFAOYSA-N
MW324.40 g/mol
LogP5.63
Rot. Bonds1

About 2-methyl-1-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)pyridin-1-ium

2-methyl-1-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)pyridin-1-ium (PubChem CID 170402833) has the molecular formula C23H18NO+ and a molecular weight of 324.40 g/mol. Its IUPAC name is 2-methyl-1-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)pyridin-1-ium.

Molecular Properties

Compound Name2-methyl-1-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)pyridin-1-ium
PubChem CID170402833
Molecular FormulaC23H18NO+
Molecular Weight324.40 g/mol
Exact Mass324.14
IUPAC Name2-methyl-1-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)pyridin-1-ium
SMILESCc1ccc2c(oc3c4ccccc4ccc23)c1-[n+]1ccccc1C
InChIInChI=1S/C23H18NO/c1-15-10-12-20-19-13-11-17-8-3-4-9-18(17)22(19)25-23(20)21(15)24-14-6-5-7-16(24)2/h3-14H,1-2H3/q+1
InChIKeyLWUNAHRAJIVCKR-UHFFFAOYSA-N
XLogP5.63
TPSA17.02 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.40
LogP ≤ 55.63
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

2-methyl-1-(7-methyl-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaen-8-yl)pyridin-1-ium
CID 170517352
10-methylnaphtho[1,2-b][1]benzofuran
CID 58510874
10-[(2-methylphenyl)methyl]naphtho[1,2-b][1]benzofuran
CID 157274669
1-methyl-2-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)imidazole
CID 170111816
1-methyl-2-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)-4-(4-methylphenyl)pyridin-1-ium
CID 157188990
14-methyl-15-(1-methylpyridin-1-ium-2-yl)-17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene
CID 140827793
methyl-[(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)methylidene]-phenylazanium
CID 177124603
1-methyl-2-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)-3-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]imidazol-1-ium
CID 167387895
1,5-dimethyl-2-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)-4-propan-2-ylpyridin-1-ium
CID 167365073
6-(2-deuteriopropan-2-yl)-2-methyl-1-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)isoquinolin-2-ium
CID 140827935
(Z)-N,3-dimethyl-1-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)pent-1-en-1-amine
CID 156569515
9-methyl-10-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-h]isoquinoline
CID 140827720

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)pyridin-1-ium?
The IUPAC name of 2-methyl-1-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)pyridin-1-ium (CID 170402833) is 2-methyl-1-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)pyridin-1-ium.
What is the SMILES notation for 2-methyl-1-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)pyridin-1-ium?
The canonical SMILES for 2-methyl-1-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)pyridin-1-ium is Cc1ccc2c(oc3c4ccccc4ccc23)c1-[n+]1ccccc1C.
What is the InChIKey of 2-methyl-1-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)pyridin-1-ium?
The InChIKey is LWUNAHRAJIVCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18NO/c1-15-10-12-20-19-13-11-17-8-3-4-9-18(17)22(19)25-23(20)21(15)24-14-6-5-7-16(24)2/h3-14H,1-2H3/q+1.
What are the key properties of 2-methyl-1-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)pyridin-1-ium?
2-methyl-1-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)pyridin-1-ium has a molecular weight of 324.40 g/mol, XLogP of 5.63, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)pyridin-1-ium is sourced from PubChem (CID 170402833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).