2-fluoro-1-methyl-4-(10-phenylanthracen-9-yl)pyridin-1-ium iodide

C26H19FIN — CID 155433472

IUPAC2-fluoro-1-methyl-4-(10-phenylanthracen-9-yl)pyridin-1-ium iodide
SMILESC[n+]1ccc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)cc1F.[I-]
InChIInChI=1S/C26H19FN.HI/c1-28-16-15-19(17-24(28)27)26-22-13-7-5-11-20(22)25(18-9-3-2-4-10-18)21-12-6-8-14-23(21)26;/h2-17H,1H3;1H/q+1;/p-1
InChIKeyYBUZTUWONCDMNW-UHFFFAOYSA-M
MW491.35 g/mol
LogP3.29
Rot. Bonds2

About 2-fluoro-1-methyl-4-(10-phenylanthracen-9-yl)pyridin-1-ium iodide

2-fluoro-1-methyl-4-(10-phenylanthracen-9-yl)pyridin-1-ium iodide (PubChem CID 155433472) has the molecular formula C26H19FIN and a molecular weight of 491.35 g/mol. Its IUPAC name is 2-fluoro-1-methyl-4-(10-phenylanthracen-9-yl)pyridin-1-ium iodide.

Molecular Properties

Compound Name2-fluoro-1-methyl-4-(10-phenylanthracen-9-yl)pyridin-1-ium iodide
PubChem CID155433472
Molecular FormulaC26H19FIN
Molecular Weight491.35 g/mol
Exact Mass491.05
IUPAC Name2-fluoro-1-methyl-4-(10-phenylanthracen-9-yl)pyridin-1-ium iodide
SMILESC[n+]1ccc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)cc1F.[I-]
InChIInChI=1S/C26H19FN.HI/c1-28-16-15-19(17-24(28)27)26-22-13-7-5-11-20(22)25(18-9-3-2-4-10-18)21-12-6-8-14-23(21)26;/h2-17H,1H3;1H/q+1;/p-1
InChIKeyYBUZTUWONCDMNW-UHFFFAOYSA-M
XLogP3.29
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.35
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

4-(10-bromoanthracen-9-yl)-2-fluoro-1-methylpyridin-1-ium iodide
CID 154926382
4-anthracen-9-yl-2-fluoro-1-methylpyridin-1-ium;ethane
CID 153340780
9-(3-fluorophenyl)-10-[10-(3-fluorophenyl)anthracen-9-yl]anthracene
CID 102497816
2,4-difluoro-1-methylpyridin-1-ium
CID 169211033
9-(3-phenylphenyl)-10-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]anthracene
CID 59557543
10-(3,4-difluorophenyl)-2-fluoro-9-phenylanthracene
CID 88877574
9-(4-methylphenyl)-10-phenylanthracene
CID 631292
9-phenyl-10-[3-[2-[3-(10-phenylanthracen-9-yl)phenyl]phenyl]phenyl]anthracene
CID 58711316
9-(4-phenylphenyl)-10-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]anthracene
CID 155648463
9-(3,5-dimethylphenyl)-10-phenylanthracene
CID 170561654
2-[10-(4-phenylphenyl)anthracen-9-yl]triphenylene
CID 59583037
ethane;9-naphthalen-2-yl-10-phenylanthracene
CID 91207825

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-methyl-4-(10-phenylanthracen-9-yl)pyridin-1-ium iodide?
The IUPAC name of 2-fluoro-1-methyl-4-(10-phenylanthracen-9-yl)pyridin-1-ium iodide (CID 155433472) is 2-fluoro-1-methyl-4-(10-phenylanthracen-9-yl)pyridin-1-ium iodide.
What is the SMILES notation for 2-fluoro-1-methyl-4-(10-phenylanthracen-9-yl)pyridin-1-ium iodide?
The canonical SMILES for 2-fluoro-1-methyl-4-(10-phenylanthracen-9-yl)pyridin-1-ium iodide is C[n+]1ccc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)cc1F.[I-].
What is the InChIKey of 2-fluoro-1-methyl-4-(10-phenylanthracen-9-yl)pyridin-1-ium iodide?
The InChIKey is YBUZTUWONCDMNW-UHFFFAOYSA-M. The full InChI is InChI=1S/C26H19FN.HI/c1-28-16-15-19(17-24(28)27)26-22-13-7-5-11-20(22)25(18-9-3-2-4-10-18)21-12-6-8-14-23(21)26;/h2-17H,1H3;1H/q+1;/p-1.
What are the key properties of 2-fluoro-1-methyl-4-(10-phenylanthracen-9-yl)pyridin-1-ium iodide?
2-fluoro-1-methyl-4-(10-phenylanthracen-9-yl)pyridin-1-ium iodide has a molecular weight of 491.35 g/mol, XLogP of 3.29, 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-(10-phenylanthracen-9-yl)pyridin-1-ium iodide is sourced from PubChem (CID 155433472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).