3-methyl-4-(2-methylphenyl)selenopheno[3,2-f]phthalazin-3-ium

C18H15N2Se+ — CID 167427594

IUPAC3-methyl-4-(2-methylphenyl)selenopheno[3,2-f]phthalazin-3-ium
SMILESCc1ccccc1-c1c2ccc3[se]ccc3c2cn[n+]1C
InChIInChI=1S/C18H15N2Se/c1-12-5-3-4-6-13(12)18-15-7-8-17-14(9-10-21-17)16(15)11-19-20(18)2/h3-11H,1-2H3/q+1
InChIKeyJENRQIIKWNXRCB-UHFFFAOYSA-N
MW338.29 g/mol
LogP3.24
Rot. Bonds1

About 3-methyl-4-(2-methylphenyl)selenopheno[3,2-f]phthalazin-3-ium

3-methyl-4-(2-methylphenyl)selenopheno[3,2-f]phthalazin-3-ium (PubChem CID 167427594) has the molecular formula C18H15N2Se+ and a molecular weight of 338.29 g/mol. Its IUPAC name is 3-methyl-4-(2-methylphenyl)selenopheno[3,2-f]phthalazin-3-ium.

Molecular Properties

Compound Name3-methyl-4-(2-methylphenyl)selenopheno[3,2-f]phthalazin-3-ium
PubChem CID167427594
Molecular FormulaC18H15N2Se+
Molecular Weight338.29 g/mol
Exact Mass339.04
IUPAC Name3-methyl-4-(2-methylphenyl)selenopheno[3,2-f]phthalazin-3-ium
SMILESCc1ccccc1-c1c2ccc3[se]ccc3c2cn[n+]1C
InChIInChI=1S/C18H15N2Se/c1-12-5-3-4-6-13(12)18-15-7-8-17-14(9-10-21-17)16(15)11-19-20(18)2/h3-11H,1-2H3/q+1
InChIKeyJENRQIIKWNXRCB-UHFFFAOYSA-N
XLogP3.24
TPSA16.77 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-6-(2-methylphenyl)phenanthridin-5-ium
CID 169322524
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CID 154594823
2-methyl-1-(2-methylphenyl)-4-phenylisoquinolin-2-ium
CID 153369780
N-[1-methyl-6-(2-methylphenyl)-4H-pyridazin-1-ium-4-id-5-yl]methanimine;yttrium
CID 164937417
5-tert-butyl-1-methyl-2-(2-methylphenyl)pyrimidin-1-ium
CID 172534817
3-methyl-2-(2-methylphenyl)quinazolin-3-ium
CID 123266247
4-deuterio-6-fluoro-2,3-dimethyl-1-(2-methylphenyl)isoquinolin-2-ium
CID 159041966
2-methyl-1-(2-methylphenyl)-6-propan-2-yl-2,7-naphthyridin-2-ium
CID 123983574
3-methyl-4-(2-methylphenyl)pyridine
CID 130153052
2-methyl-1-(2-methylphenyl)-5H-indeno[1,2-c]pyridin-2-ium
CID 59583170
3-methyl-4-(2-methylphenyl)pyrido[3,2-d]pyrimidin-3-ium
CID 123952026
1,3,5-trimethyl-2-(2-methylphenyl)-6-(2,4,5-trimethylphenyl)pyridin-1-ium
CID 140944401

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(2-methylphenyl)selenopheno[3,2-f]phthalazin-3-ium?
The IUPAC name of 3-methyl-4-(2-methylphenyl)selenopheno[3,2-f]phthalazin-3-ium (CID 167427594) is 3-methyl-4-(2-methylphenyl)selenopheno[3,2-f]phthalazin-3-ium.
What is the SMILES notation for 3-methyl-4-(2-methylphenyl)selenopheno[3,2-f]phthalazin-3-ium?
The canonical SMILES for 3-methyl-4-(2-methylphenyl)selenopheno[3,2-f]phthalazin-3-ium is Cc1ccccc1-c1c2ccc3[se]ccc3c2cn[n+]1C.
What is the InChIKey of 3-methyl-4-(2-methylphenyl)selenopheno[3,2-f]phthalazin-3-ium?
The InChIKey is JENRQIIKWNXRCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N2Se/c1-12-5-3-4-6-13(12)18-15-7-8-17-14(9-10-21-17)16(15)11-19-20(18)2/h3-11H,1-2H3/q+1.
What are the key properties of 3-methyl-4-(2-methylphenyl)selenopheno[3,2-f]phthalazin-3-ium?
3-methyl-4-(2-methylphenyl)selenopheno[3,2-f]phthalazin-3-ium has a molecular weight of 338.29 g/mol, XLogP of 3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(2-methylphenyl)selenopheno[3,2-f]phthalazin-3-ium is sourced from PubChem (CID 167427594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).