2,3-bis(3,5-dimethylphenyl)-5-(4-phenylphenyl)pyrazine

C32H28N2 — CID 118103502

IUPAC2,3-bis(3,5-dimethylphenyl)-5-(4-phenylphenyl)pyrazine
SMILESCc1cc(C)cc(-c2ncc(-c3ccc(-c4ccccc4)cc3)nc2-c2cc(C)cc(C)c2)c1
InChIInChI=1S/C32H28N2/c1-21-14-22(2)17-28(16-21)31-32(29-18-23(3)15-24(4)19-29)34-30(20-33-31)27-12-10-26(11-13-27)25-8-6-5-7-9-25/h5-20H,1-4H3
InChIKeyYQDMNQRUEVOKKM-UHFFFAOYSA-N
MW440.59 g/mol
LogP8.38
Rot. Bonds4

About 2,3-bis(3,5-dimethylphenyl)-5-(4-phenylphenyl)pyrazine

2,3-bis(3,5-dimethylphenyl)-5-(4-phenylphenyl)pyrazine (PubChem CID 118103502) has the molecular formula C32H28N2 and a molecular weight of 440.59 g/mol. Its IUPAC name is 2,3-bis(3,5-dimethylphenyl)-5-(4-phenylphenyl)pyrazine.

Molecular Properties

Compound Name2,3-bis(3,5-dimethylphenyl)-5-(4-phenylphenyl)pyrazine
PubChem CID118103502
Molecular FormulaC32H28N2
Molecular Weight440.59 g/mol
Exact Mass440.23
IUPAC Name2,3-bis(3,5-dimethylphenyl)-5-(4-phenylphenyl)pyrazine
SMILESCc1cc(C)cc(-c2ncc(-c3ccc(-c4ccccc4)cc3)nc2-c2cc(C)cc(C)c2)c1
InChIInChI=1S/C32H28N2/c1-21-14-22(2)17-28(16-21)31-32(29-18-23(3)15-24(4)19-29)34-30(20-33-31)27-12-10-26(11-13-27)25-8-6-5-7-9-25/h5-20H,1-4H3
InChIKeyYQDMNQRUEVOKKM-UHFFFAOYSA-N
XLogP8.38
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.59
LogP ≤ 58.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-diphenyl-5-(4-phenylphenyl)pyrazine
CID 58991364
2,3-diphenyl-5-[4-(trifluoromethyl)phenyl]pyrazine
CID 59806456
4-(3,5-dimethylphenyl)-2,6-diphenylpyridine
CID 132529641
2-(2-methylphenyl)-3-phenyl-5-(3-phenylphenyl)pyrazine
CID 118267385
2-[5,6-bis(3,5-dimethylphenyl)pyrazin-2-yl]-3-methylbenzonitrile
CID 129241512
2-(3,5-dimethylphenyl)-7-phenylquinoline
CID 58162359
1,3-dimethyl-5-phenylbenzene;methane
CID 143325792
2-(4-methylphenyl)-4-phenyl-6-(4-phenylphenyl)pyridine
CID 12582139
5-[4-[6-[5-(5-methylphenanthren-4-yl)phenanthren-2-yl]naphthalen-2-yl]phenyl]-2,3-diphenylpyrazine
CID 167411991
3,5-diphenyl-2-spiro[benzo[b]fluorene-11,9'-fluorene]-2'-ylpyrazine
CID 129264516
4-methyl-2-(3-phenylphenyl)-6-(4-phenylphenyl)pyridine
CID 138661699
3-methyl-5-naphthalen-2-yl-2-phenylpyrazine
CID 58991358

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(3,5-dimethylphenyl)-5-(4-phenylphenyl)pyrazine?
The IUPAC name of 2,3-bis(3,5-dimethylphenyl)-5-(4-phenylphenyl)pyrazine (CID 118103502) is 2,3-bis(3,5-dimethylphenyl)-5-(4-phenylphenyl)pyrazine.
What is the SMILES notation for 2,3-bis(3,5-dimethylphenyl)-5-(4-phenylphenyl)pyrazine?
The canonical SMILES for 2,3-bis(3,5-dimethylphenyl)-5-(4-phenylphenyl)pyrazine is Cc1cc(C)cc(-c2ncc(-c3ccc(-c4ccccc4)cc3)nc2-c2cc(C)cc(C)c2)c1.
What is the InChIKey of 2,3-bis(3,5-dimethylphenyl)-5-(4-phenylphenyl)pyrazine?
The InChIKey is YQDMNQRUEVOKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28N2/c1-21-14-22(2)17-28(16-21)31-32(29-18-23(3)15-24(4)19-29)34-30(20-33-31)27-12-10-26(11-13-27)25-8-6-5-7-9-25/h5-20H,1-4H3.
What are the key properties of 2,3-bis(3,5-dimethylphenyl)-5-(4-phenylphenyl)pyrazine?
2,3-bis(3,5-dimethylphenyl)-5-(4-phenylphenyl)pyrazine has a molecular weight of 440.59 g/mol, XLogP of 8.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(3,5-dimethylphenyl)-5-(4-phenylphenyl)pyrazine is sourced from PubChem (CID 118103502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).