4-(4-fluorophenyl)-1-methyl-2-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)pyridin-1-ium

C29H21FNO+ — CID 140827640

IUPAC4-(4-fluorophenyl)-1-methyl-2-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)pyridin-1-ium
SMILESCc1ccc2c(oc3c4ccccc4ccc23)c1-c1cc(-c2ccc(F)cc2)cc[n+]1C
InChIInChI=1S/C29H21FNO/c1-18-7-13-25-24-14-10-20-5-3-4-6-23(20)28(24)32-29(25)27(18)26-17-21(15-16-31(26)2)19-8-11-22(30)12-9-19/h3-17H,1-2H3/q+1
InChIKeyYSHCOMSSNOPYIC-UHFFFAOYSA-N
MW418.49 g/mol
LogP7.35
Rot. Bonds2

About 4-(4-fluorophenyl)-1-methyl-2-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)pyridin-1-ium

4-(4-fluorophenyl)-1-methyl-2-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)pyridin-1-ium (PubChem CID 140827640) has the molecular formula C29H21FNO+ and a molecular weight of 418.49 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-1-methyl-2-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)pyridin-1-ium.

Molecular Properties

Compound Name4-(4-fluorophenyl)-1-methyl-2-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)pyridin-1-ium
PubChem CID140827640
Molecular FormulaC29H21FNO+
Molecular Weight418.49 g/mol
Exact Mass418.16
IUPAC Name4-(4-fluorophenyl)-1-methyl-2-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)pyridin-1-ium
SMILESCc1ccc2c(oc3c4ccccc4ccc23)c1-c1cc(-c2ccc(F)cc2)cc[n+]1C
InChIInChI=1S/C29H21FNO/c1-18-7-13-25-24-14-10-20-5-3-4-6-23(20)28(24)32-29(25)27(18)26-17-21(15-16-31(26)2)19-8-11-22(30)12-9-19/h3-17H,1-2H3/q+1
InChIKeyYSHCOMSSNOPYIC-UHFFFAOYSA-N
XLogP7.35
TPSA17.02 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.49
LogP ≤ 57.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-(4-fluorophenyl)-1-methyl-2-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)pyridin-1-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

NM-2201
CID 91864534
Uccf-029
CID 3163532
2-Pyridin-3-yl-benzo[h]chromen-4-one
CID 323484
1-Naphthalenyl 1-((4-fluorophenyl)methyl)-1H-indole-3-carboxylate
CID 119025888
(5-(2-methoxyphenyl)-1-pentyl-1H-pyrrol-3-yl)(naphthalen-1-yl)methanone
CID 44418317
Jwh-367
CID 44418330
Methanone, (4-ethoxy-1-naphthalenyl)(1-pentyl-1H-indol-3-yl)-
CID 45267043
(4-ethoxynaphthalen-1-yl)(1-propyl-1H-indol-3-yl)methanone
CID 45270408
4-[7-Phenyl-8-propan-2-yloxy-1-(pyridin-3-ylmethyl)-4,5-dihydrobenzo[g]indol-3-yl]benzoic acid
CID 10459140
4-(3-(Diethylamino)propoxy)-7H-dibenzo[de,h]quinolin-7-one
CID 52953211
2-(Pyridin-2-yl)-4H-naphtho[1,2-b]pyran-4-one
CID 71364816
4-(1-Benzofuran-2-yl)-1-[(2-methylphenyl)methyl]pyridin-1-ium bromide
CID 118730705

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-1-methyl-2-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)pyridin-1-ium?
The IUPAC name of 4-(4-fluorophenyl)-1-methyl-2-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)pyridin-1-ium (CID 140827640) is 4-(4-fluorophenyl)-1-methyl-2-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)pyridin-1-ium.
What is the SMILES notation for 4-(4-fluorophenyl)-1-methyl-2-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)pyridin-1-ium?
The canonical SMILES for 4-(4-fluorophenyl)-1-methyl-2-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)pyridin-1-ium is Cc1ccc2c(oc3c4ccccc4ccc23)c1-c1cc(-c2ccc(F)cc2)cc[n+]1C.
What is the InChIKey of 4-(4-fluorophenyl)-1-methyl-2-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)pyridin-1-ium?
The InChIKey is YSHCOMSSNOPYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21FNO/c1-18-7-13-25-24-14-10-20-5-3-4-6-23(20)28(24)32-29(25)27(18)26-17-21(15-16-31(26)2)19-8-11-22(30)12-9-19/h3-17H,1-2H3/q+1.
What are the key properties of 4-(4-fluorophenyl)-1-methyl-2-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)pyridin-1-ium?
4-(4-fluorophenyl)-1-methyl-2-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)pyridin-1-ium has a molecular weight of 418.49 g/mol, XLogP of 7.35, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-1-methyl-2-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)pyridin-1-ium is sourced from PubChem (CID 140827640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).