2-fluoro-1-methyl-4-(9-phenyl-9,10-dihydroanthracen-1-yl)pyridin-1-ium

C26H21FN+ — CID 175071927

IUPAC2-fluoro-1-methyl-4-(9-phenyl-9,10-dihydroanthracen-1-yl)pyridin-1-ium
SMILESC[n+]1ccc(-c2cccc3c2C(c2ccccc2)c2ccccc2C3)cc1F
InChIInChI=1S/C26H21FN/c1-28-15-14-20(17-24(28)27)23-13-7-11-21-16-19-10-5-6-12-22(19)25(26(21)23)18-8-3-2-4-9-18/h2-15,17,25H,16H2,1H3/q+1
InChIKeyJPMPWEAFNZEKNS-UHFFFAOYSA-N
MW366.46 g/mol
LogP5.40
Rot. Bonds2

About 2-fluoro-1-methyl-4-(9-phenyl-9,10-dihydroanthracen-1-yl)pyridin-1-ium

2-fluoro-1-methyl-4-(9-phenyl-9,10-dihydroanthracen-1-yl)pyridin-1-ium (PubChem CID 175071927) has the molecular formula C26H21FN+ and a molecular weight of 366.46 g/mol. Its IUPAC name is 2-fluoro-1-methyl-4-(9-phenyl-9,10-dihydroanthracen-1-yl)pyridin-1-ium.

Molecular Properties

Compound Name2-fluoro-1-methyl-4-(9-phenyl-9,10-dihydroanthracen-1-yl)pyridin-1-ium
PubChem CID175071927
Molecular FormulaC26H21FN+
Molecular Weight366.46 g/mol
Exact Mass366.17
IUPAC Name2-fluoro-1-methyl-4-(9-phenyl-9,10-dihydroanthracen-1-yl)pyridin-1-ium
SMILESC[n+]1ccc(-c2cccc3c2C(c2ccccc2)c2ccccc2C3)cc1F
InChIInChI=1S/C26H21FN/c1-28-15-14-20(17-24(28)27)23-13-7-11-21-16-19-10-5-6-12-22(19)25(26(21)23)18-8-3-2-4-9-18/h2-15,17,25H,16H2,1H3/q+1
InChIKeyJPMPWEAFNZEKNS-UHFFFAOYSA-N
XLogP5.40
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.46
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 2-fluoro-1-methyl-4-(9-phenyl-9,10-dihydroanthracen-1-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

ethane;bis(pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene)
CID 167587825
2-fluoro-1-methyl-4-(10-phenylanthracen-9-yl)pyridin-1-ium iodide
CID 155433472
7-phenyl-7,12-dihydropleiadene
CID 615155
2-[9-[2-(9H-fluoren-4-yl)phenyl]-9H-fluoren-3-yl]-9-phenyl-9H-fluorene
CID 159754601
1-[3-(2-bromophenyl)phenyl]-9-phenyl-9H-fluorene
CID 175530244
4-[2-(9H-fluoren-2-yl)phenyl]-5-phenyl-5,10-dihydroindeno[2,1-a]indene
CID 164828040
4-(10-bromoanthracen-9-yl)-2-fluoro-1-methylpyridin-1-ium iodide
CID 154926382
(E)-(1-phenyl-1,3-dihydroinden-2-ylidene)methanol
CID 101182639
3-methyl-4-phenyl-2,4-dihydroindeno[1,2-c]pyrazole
CID 4616940
9-phenyl-9H-fluorene
CID 13091
2,4-difluoro-1-methylpyridin-1-ium
CID 169211033
4-(1,8-dideuterio-11-phenyl-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium
CID 140861393

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-methyl-4-(9-phenyl-9,10-dihydroanthracen-1-yl)pyridin-1-ium?
The IUPAC name of 2-fluoro-1-methyl-4-(9-phenyl-9,10-dihydroanthracen-1-yl)pyridin-1-ium (CID 175071927) is 2-fluoro-1-methyl-4-(9-phenyl-9,10-dihydroanthracen-1-yl)pyridin-1-ium.
What is the SMILES notation for 2-fluoro-1-methyl-4-(9-phenyl-9,10-dihydroanthracen-1-yl)pyridin-1-ium?
The canonical SMILES for 2-fluoro-1-methyl-4-(9-phenyl-9,10-dihydroanthracen-1-yl)pyridin-1-ium is C[n+]1ccc(-c2cccc3c2C(c2ccccc2)c2ccccc2C3)cc1F.
What is the InChIKey of 2-fluoro-1-methyl-4-(9-phenyl-9,10-dihydroanthracen-1-yl)pyridin-1-ium?
The InChIKey is JPMPWEAFNZEKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21FN/c1-28-15-14-20(17-24(28)27)23-13-7-11-21-16-19-10-5-6-12-22(19)25(26(21)23)18-8-3-2-4-9-18/h2-15,17,25H,16H2,1H3/q+1.
What are the key properties of 2-fluoro-1-methyl-4-(9-phenyl-9,10-dihydroanthracen-1-yl)pyridin-1-ium?
2-fluoro-1-methyl-4-(9-phenyl-9,10-dihydroanthracen-1-yl)pyridin-1-ium has a molecular weight of 366.46 g/mol, XLogP of 5.40, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-methyl-4-(9-phenyl-9,10-dihydroanthracen-1-yl)pyridin-1-ium is sourced from PubChem (CID 175071927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).