2-(2-methylphenyl)-3-phenyl-5-(3-phenylphenyl)pyrazine

C29H22N2 — CID 118267385

IUPAC2-(2-methylphenyl)-3-phenyl-5-(3-phenylphenyl)pyrazine
SMILESCc1ccccc1-c1ncc(-c2cccc(-c3ccccc3)c2)nc1-c1ccccc1
InChIInChI=1S/C29H22N2/c1-21-11-8-9-18-26(21)29-28(23-14-6-3-7-15-23)31-27(20-30-29)25-17-10-16-24(19-25)22-12-4-2-5-13-22/h2-20H,1H3
InChIKeyNROVFQGGKSAQQR-UHFFFAOYSA-N
MW398.51 g/mol
LogP7.45
Rot. Bonds4

About 2-(2-methylphenyl)-3-phenyl-5-(3-phenylphenyl)pyrazine

2-(2-methylphenyl)-3-phenyl-5-(3-phenylphenyl)pyrazine (PubChem CID 118267385) has the molecular formula C29H22N2 and a molecular weight of 398.51 g/mol. Its IUPAC name is 2-(2-methylphenyl)-3-phenyl-5-(3-phenylphenyl)pyrazine.

Molecular Properties

Compound Name2-(2-methylphenyl)-3-phenyl-5-(3-phenylphenyl)pyrazine
PubChem CID118267385
Molecular FormulaC29H22N2
Molecular Weight398.51 g/mol
Exact Mass398.18
IUPAC Name2-(2-methylphenyl)-3-phenyl-5-(3-phenylphenyl)pyrazine
SMILESCc1ccccc1-c1ncc(-c2cccc(-c3ccccc3)c2)nc1-c1ccccc1
InChIInChI=1S/C29H22N2/c1-21-11-8-9-18-26(21)29-28(23-14-6-3-7-15-23)31-27(20-30-29)25-17-10-16-24(19-25)22-12-4-2-5-13-22/h2-20H,1H3
InChIKeyNROVFQGGKSAQQR-UHFFFAOYSA-N
XLogP7.45
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.51
LogP ≤ 57.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;1-methyl-2-(3-phenylphenyl)benzene
CID 142541189
5-[4-[6-[5-(5-methylphenanthren-4-yl)phenanthren-2-yl]naphthalen-2-yl]phenyl]-2,3-diphenylpyrazine
CID 167411991
2,3-diphenyl-5-(4-phenylphenyl)pyrazine
CID 58991364
5-methyl-4-phenyl-2-(3-phenylphenyl)pyridine
CID 140676048
2,3-bis(3,5-dimethylphenyl)-5-(4-phenylphenyl)pyrazine
CID 118103502
5-(2-tert-butylphenyl)-2,3-diphenylpyrazine;5-(2,6-dimethylphenyl)-2,3-diphenylpyrazine;2,3-diphenyl-5-(2-phenylphenyl)pyrazine;5-(2-methylphenyl)-2,3-diphenylpyrazine;2,3,5-triphenylpyrazine
CID 159472750
5-[2-[3,5-bis[2-[4-methyl-6-[3-(3-phenylphenyl)phenyl]-3-pyridinyl]phenyl]phenyl]phenyl]-4-methyl-2-[3-(3-phenylphenyl)phenyl]pyridine
CID 140838981
3-(5,6-diphenylpyrazin-2-yl)benzonitrile
CID 66672885
1-methyl-2-phenyl-3-(3-phenylphenyl)benzene
CID 59171668
1-methyl-2-(2-methylphenyl)-4-(3-phenylphenyl)benzene
CID 143578929
3-[3-(3-phenanthro[9,10-b]pyrazin-3-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine;3-[4-(4-phenanthro[9,10-b]pyrazin-3-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine;2-phenyl-3-[4-[4-(2-phenylphenanthro[9,10-b]pyrazin-3-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 159278418
1,2-dimethyl-6-(2-methylphenyl)-5-phenyl-3-(3-phenylphenyl)pyrazin-1-ium
CID 58991449

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-3-phenyl-5-(3-phenylphenyl)pyrazine?
The IUPAC name of 2-(2-methylphenyl)-3-phenyl-5-(3-phenylphenyl)pyrazine (CID 118267385) is 2-(2-methylphenyl)-3-phenyl-5-(3-phenylphenyl)pyrazine.
What is the SMILES notation for 2-(2-methylphenyl)-3-phenyl-5-(3-phenylphenyl)pyrazine?
The canonical SMILES for 2-(2-methylphenyl)-3-phenyl-5-(3-phenylphenyl)pyrazine is Cc1ccccc1-c1ncc(-c2cccc(-c3ccccc3)c2)nc1-c1ccccc1.
What is the InChIKey of 2-(2-methylphenyl)-3-phenyl-5-(3-phenylphenyl)pyrazine?
The InChIKey is NROVFQGGKSAQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22N2/c1-21-11-8-9-18-26(21)29-28(23-14-6-3-7-15-23)31-27(20-30-29)25-17-10-16-24(19-25)22-12-4-2-5-13-22/h2-20H,1H3.
What are the key properties of 2-(2-methylphenyl)-3-phenyl-5-(3-phenylphenyl)pyrazine?
2-(2-methylphenyl)-3-phenyl-5-(3-phenylphenyl)pyrazine has a molecular weight of 398.51 g/mol, XLogP of 7.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-3-phenyl-5-(3-phenylphenyl)pyrazine is sourced from PubChem (CID 118267385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).