1-(4-methoxyphenyl)phenazin-10-ium

C19H15N2O+ — CID 23104923

IUPAC1-(4-methoxyphenyl)phenazin-10-ium
SMILESCOc1ccc(-c2cccc3nc4ccccc4[nH+]c23)cc1
InChIInChI=1S/C19H14N2O/c1-22-14-11-9-13(10-12-14)15-5-4-8-18-19(15)21-17-7-3-2-6-16(17)20-18/h2-12H,1H3/p+1
InChIKeyCYEDINNQAKQIRI-UHFFFAOYSA-O
MW287.34 g/mol
LogP3.88
Rot. Bonds2

About 1-(4-methoxyphenyl)phenazin-10-ium

1-(4-methoxyphenyl)phenazin-10-ium (PubChem CID 23104923) has the molecular formula C19H15N2O+ and a molecular weight of 287.34 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)phenazin-10-ium.

Molecular Properties

Compound Name1-(4-methoxyphenyl)phenazin-10-ium
PubChem CID23104923
Molecular FormulaC19H15N2O+
Molecular Weight287.34 g/mol
Exact Mass287.12
IUPAC Name1-(4-methoxyphenyl)phenazin-10-ium
SMILESCOc1ccc(-c2cccc3nc4ccccc4[nH+]c23)cc1
InChIInChI=1S/C19H14N2O/c1-22-14-11-9-13(10-12-14)15-5-4-8-18-19(15)21-17-7-3-2-6-16(17)20-18/h2-12H,1H3/p+1
InChIKeyCYEDINNQAKQIRI-UHFFFAOYSA-O
XLogP3.88
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

1-(4-methoxyphenyl)phenazine;hydroiodide
CID 173398535
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CID 12555620
1-(4-methoxyphenyl)-5-(4-methylphenyl)naphthalene
CID 142669243
2-[[2,6-bis(4-methoxyphenyl)phenyl]disulfanyl]-1,3-bis(4-methoxyphenyl)benzene
CID 87488450
2-chloro-4-(4-methoxyphenyl)-1H-benzimidazole
CID 121320344
1,3-bis(4-methoxyphenyl)-2-methylsulfanylbenzene
CID 50916407
4-(4-methoxyphenyl)-2-phenylquinoline
CID 12523263
2-(4-methoxyphenyl)quinolin-1-ium
CID 102579036
1,2-difluoro-3-(4-methoxyphenyl)benzene
CID 59532996
1-tert-butyl-2-(4-methoxyphenyl)benzene
CID 58663059
1-(4-chlorophenyl)-2-(4-methoxyphenyl)-3-phenylbenzene
CID 173189759

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)phenazin-10-ium?
The IUPAC name of 1-(4-methoxyphenyl)phenazin-10-ium (CID 23104923) is 1-(4-methoxyphenyl)phenazin-10-ium.
What is the SMILES notation for 1-(4-methoxyphenyl)phenazin-10-ium?
The canonical SMILES for 1-(4-methoxyphenyl)phenazin-10-ium is COc1ccc(-c2cccc3nc4ccccc4[nH+]c23)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)phenazin-10-ium?
The InChIKey is CYEDINNQAKQIRI-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H14N2O/c1-22-14-11-9-13(10-12-14)15-5-4-8-18-19(15)21-17-7-3-2-6-16(17)20-18/h2-12H,1H3/p+1.
What are the key properties of 1-(4-methoxyphenyl)phenazin-10-ium?
1-(4-methoxyphenyl)phenazin-10-ium has a molecular weight of 287.34 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)phenazin-10-ium is sourced from PubChem (CID 23104923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).