1-methyl-4-phenanthren-9-yloxypyridin-1-ium

C20H16NO+ — CID 10319529

IUPAC1-methyl-4-phenanthren-9-yloxypyridin-1-ium
SMILESC[n+]1ccc(Oc2cc3ccccc3c3ccccc23)cc1
InChIInChI=1S/C20H16NO/c1-21-12-10-16(11-13-21)22-20-14-15-6-2-3-7-17(15)18-8-4-5-9-19(18)20/h2-14H,1H3/q+1
InChIKeyBFQUWRUXQSHDDT-UHFFFAOYSA-N
MW286.35 g/mol
LogP4.61
Rot. Bonds2

About 1-methyl-4-phenanthren-9-yloxypyridin-1-ium

1-methyl-4-phenanthren-9-yloxypyridin-1-ium (PubChem CID 10319529) has the molecular formula C20H16NO+ and a molecular weight of 286.35 g/mol. Its IUPAC name is 1-methyl-4-phenanthren-9-yloxypyridin-1-ium.

Molecular Properties

Compound Name1-methyl-4-phenanthren-9-yloxypyridin-1-ium
PubChem CID10319529
Molecular FormulaC20H16NO+
Molecular Weight286.35 g/mol
Exact Mass286.12
IUPAC Name1-methyl-4-phenanthren-9-yloxypyridin-1-ium
SMILESC[n+]1ccc(Oc2cc3ccccc3c3ccccc23)cc1
InChIInChI=1S/C20H16NO/c1-21-12-10-16(11-13-21)22-20-14-15-6-2-3-7-17(15)18-8-4-5-9-19(18)20/h2-14H,1H3/q+1
InChIKeyBFQUWRUXQSHDDT-UHFFFAOYSA-N
XLogP4.61
TPSA13.11 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

phenanthren-9-yl methanesulfonate
CID 18424515
3-methoxy-1-(3-methoxynaphthalen-1-yl)oxynaphthalene
CID 138737035
anthracene;benzene;ethane;methane;naphthalene;phenanthrene
CID 165100434
1-methyl-4-(3-phenylphenoxy)pyridin-1-ium iodide
CID 10340262
4-[4-(4-aminophenoxy)naphthalen-2-yl]oxyaniline
CID 21253700
4-(4-fluorophenoxy)-1H-benzo[g]indole
CID 150424562
ethane;methane;9-methylphenanthrene
CID 169171289
ethane;methane;9-methylphenanthrene
CID 144916914
phenanthren-9-yloxy(triphenyl)phosphanium
CID 139734815
anthracene;naphthalene;phenanthrene
CID 158591187
1-methoxy-3-(4-methoxynaphthalen-2-yl)oxynaphthalene
CID 21195641
6-methoxychrysene
CID 12935769

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-phenanthren-9-yloxypyridin-1-ium?
The IUPAC name of 1-methyl-4-phenanthren-9-yloxypyridin-1-ium (CID 10319529) is 1-methyl-4-phenanthren-9-yloxypyridin-1-ium.
What is the SMILES notation for 1-methyl-4-phenanthren-9-yloxypyridin-1-ium?
The canonical SMILES for 1-methyl-4-phenanthren-9-yloxypyridin-1-ium is C[n+]1ccc(Oc2cc3ccccc3c3ccccc23)cc1.
What is the InChIKey of 1-methyl-4-phenanthren-9-yloxypyridin-1-ium?
The InChIKey is BFQUWRUXQSHDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16NO/c1-21-12-10-16(11-13-21)22-20-14-15-6-2-3-7-17(15)18-8-4-5-9-19(18)20/h2-14H,1H3/q+1.
What are the key properties of 1-methyl-4-phenanthren-9-yloxypyridin-1-ium?
1-methyl-4-phenanthren-9-yloxypyridin-1-ium has a molecular weight of 286.35 g/mol, XLogP of 4.61, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-phenanthren-9-yloxypyridin-1-ium is sourced from PubChem (CID 10319529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).