1,2-dimethyl-6-(2-methylphenyl)-3-(3-methylphenyl)-5-phenylpyrazin-1-ium

C26H25N2+ — CID 58991414

IUPAC1,2-dimethyl-6-(2-methylphenyl)-3-(3-methylphenyl)-5-phenylpyrazin-1-ium
SMILESCc1cccc(-c2nc(-c3ccccc3)c(-c3ccccc3C)[n+](C)c2C)c1
InChIInChI=1S/C26H25N2/c1-18-11-10-15-22(17-18)24-20(3)28(4)26(23-16-9-8-12-19(23)2)25(27-24)21-13-6-5-7-14-21/h5-17H,1-4H3/q+1
InChIKeyMQHPRJSFMAORNI-UHFFFAOYSA-N
MW365.50 g/mol
LogP5.83
Rot. Bonds3

About 1,2-dimethyl-6-(2-methylphenyl)-3-(3-methylphenyl)-5-phenylpyrazin-1-ium

1,2-dimethyl-6-(2-methylphenyl)-3-(3-methylphenyl)-5-phenylpyrazin-1-ium (PubChem CID 58991414) has the molecular formula C26H25N2+ and a molecular weight of 365.50 g/mol. Its IUPAC name is 1,2-dimethyl-6-(2-methylphenyl)-3-(3-methylphenyl)-5-phenylpyrazin-1-ium.

Molecular Properties

Compound Name1,2-dimethyl-6-(2-methylphenyl)-3-(3-methylphenyl)-5-phenylpyrazin-1-ium
PubChem CID58991414
Molecular FormulaC26H25N2+
Molecular Weight365.50 g/mol
Exact Mass365.20
IUPAC Name1,2-dimethyl-6-(2-methylphenyl)-3-(3-methylphenyl)-5-phenylpyrazin-1-ium
SMILESCc1cccc(-c2nc(-c3ccccc3)c(-c3ccccc3C)[n+](C)c2C)c1
InChIInChI=1S/C26H25N2/c1-18-11-10-15-22(17-18)24-20(3)28(4)26(23-16-9-8-12-19(23)2)25(27-24)21-13-6-5-7-14-21/h5-17H,1-4H3/q+1
InChIKeyMQHPRJSFMAORNI-UHFFFAOYSA-N
XLogP5.83
TPSA16.77 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.50
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,2-dimethyl-6-(2-methylphenyl)-5-phenyl-3-(3-phenylphenyl)pyrazin-1-ium
CID 58991449
1,2-dimethyl-6-(2-methylphenyl)-3-naphthalen-1-yl-5-phenylpyrazin-1-ium
CID 58991395
3-(9,9-dimethylfluoren-2-yl)-1,2-dimethyl-6-(2-methylphenyl)-5-phenylpyrazin-1-ium
CID 58991398
3-(3,5-difluorophenyl)-1,2-dimethyl-6-(2-methylphenyl)-5-phenylpyrazin-1-ium;1,2-dimethyl-6-(2-methylphenyl)-3,5-diphenylpyrazin-1-ium;1,2-dimethyl-6-(2-methylphenyl)-3-(3-methylphenyl)-5-phenylpyrazin-1-ium;1,2-dimethyl-6-(2-methylphenyl)-3-(4-methylphenyl)-5-phenylpyrazin-1-ium;1,2-dimethyl-6-(2-methylphenyl)-3-(2,3,4,5,6-pentafluorophenyl)-5-phenylpyrazin-1-ium;1,2-dimethyl-6-(2-methylphenyl)-5-phenyl-3-[4-(trifluoromethyl)phenyl]pyrazin-1-ium;3-(4-fluorophenyl)-1,2-dimethyl-6-(2-methylphenyl)-5-phenylpyrazin-1-ium;1-methyl-2-(2-methylphenyl)-3-phenyl-5-(9,9'-spirobi[fluorene]-2-yl)pyrazin-1-ium
CID 160771770
1,1'-biphenyl;1-methyl-2-phenylbenzene;1-methyl-3-phenylbenzene
CID 159346959
1,3-dimethyl-5-(3-methylphenyl)benzene;1-methyl-2-(3-methylphenyl)benzene
CID 143743281
1-methyl-2-(2-methylphenyl)-5-phenyl-3-(4-phenylphenyl)pyrazin-1-ium
CID 58991462
2,5-bis(2,5-dimethylphenyl)-3,6-diphenylpyrazine;2,6-bis(2,5-dimethylphenyl)-3,5-diphenylpyrazine;2,6-bis[4-(2,5-dimethylphenyl)phenyl]-3,5-diphenylpyrazine;2,3,5,6-tetrakis[4-(3-methylphenyl)phenyl]pyrazine
CID 161055201
5-(3,5-difluorophenyl)-1-methyl-2-(2-methylphenyl)-3-phenylpyrazin-1-ium
CID 58991387
1-methyl-2-[3-[4-[2-(3-methylphenyl)phenyl]phenyl]phenyl]benzene
CID 153455101
ethane;1-methyl-2-(3-phenylphenyl)benzene;1-methyl-2-(4-phenylphenyl)benzene;1-methyl-3-(2-phenylphenyl)benzene;1-methyl-3-(3-phenylphenyl)benzene;1-methyl-3-(4-phenylphenyl)benzene;1-methyl-4-(3-phenylphenyl)benzene
CID 158292689
1,3-bis(4-methylphenyl)benzene;1-methyl-2-(4-methylphenyl)benzene;1-methyl-3-(4-methylphenyl)benzene;1-methyl-2-[3-(4-methylphenyl)phenyl]benzene;1-methyl-2-[4-(4-methylphenyl)phenyl]benzene;1-methyl-3-[3-(4-methylphenyl)phenyl]benzene;1-methyl-3-[4-(4-methylphenyl)phenyl]benzene;1,3-xylene
CID 158071150

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-6-(2-methylphenyl)-3-(3-methylphenyl)-5-phenylpyrazin-1-ium?
The IUPAC name of 1,2-dimethyl-6-(2-methylphenyl)-3-(3-methylphenyl)-5-phenylpyrazin-1-ium (CID 58991414) is 1,2-dimethyl-6-(2-methylphenyl)-3-(3-methylphenyl)-5-phenylpyrazin-1-ium.
What is the SMILES notation for 1,2-dimethyl-6-(2-methylphenyl)-3-(3-methylphenyl)-5-phenylpyrazin-1-ium?
The canonical SMILES for 1,2-dimethyl-6-(2-methylphenyl)-3-(3-methylphenyl)-5-phenylpyrazin-1-ium is Cc1cccc(-c2nc(-c3ccccc3)c(-c3ccccc3C)[n+](C)c2C)c1.
What is the InChIKey of 1,2-dimethyl-6-(2-methylphenyl)-3-(3-methylphenyl)-5-phenylpyrazin-1-ium?
The InChIKey is MQHPRJSFMAORNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N2/c1-18-11-10-15-22(17-18)24-20(3)28(4)26(23-16-9-8-12-19(23)2)25(27-24)21-13-6-5-7-14-21/h5-17H,1-4H3/q+1.
What are the key properties of 1,2-dimethyl-6-(2-methylphenyl)-3-(3-methylphenyl)-5-phenylpyrazin-1-ium?
1,2-dimethyl-6-(2-methylphenyl)-3-(3-methylphenyl)-5-phenylpyrazin-1-ium has a molecular weight of 365.50 g/mol, XLogP of 5.83, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-6-(2-methylphenyl)-3-(3-methylphenyl)-5-phenylpyrazin-1-ium is sourced from PubChem (CID 58991414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).