5,7-dimethyl-2,3-bis(4-phenylphenyl)thieno[3,4-b]pyrazine

C32H24N2S — CID 22085768

IUPAC5,7-dimethyl-2,3-bis(4-phenylphenyl)thieno[3,4-b]pyrazine
SMILESCc1sc(C)c2nc(-c3ccc(-c4ccccc4)cc3)c(-c3ccc(-c4ccccc4)cc3)nc12
InChIInChI=1S/C32H24N2S/c1-21-29-30(22(2)35-21)34-32(28-19-15-26(16-20-28)24-11-7-4-8-12-24)31(33-29)27-17-13-25(14-18-27)23-9-5-3-6-10-23/h3-20H,1-2H3
InChIKeyFOHFBARAHWJNMV-UHFFFAOYSA-N
MW468.63 g/mol
LogP8.98
Rot. Bonds4

About 5,7-dimethyl-2,3-bis(4-phenylphenyl)thieno[3,4-b]pyrazine

5,7-dimethyl-2,3-bis(4-phenylphenyl)thieno[3,4-b]pyrazine (PubChem CID 22085768) has the molecular formula C32H24N2S and a molecular weight of 468.63 g/mol. Its IUPAC name is 5,7-dimethyl-2,3-bis(4-phenylphenyl)thieno[3,4-b]pyrazine.

Molecular Properties

Compound Name5,7-dimethyl-2,3-bis(4-phenylphenyl)thieno[3,4-b]pyrazine
PubChem CID22085768
Molecular FormulaC32H24N2S
Molecular Weight468.63 g/mol
Exact Mass468.17
IUPAC Name5,7-dimethyl-2,3-bis(4-phenylphenyl)thieno[3,4-b]pyrazine
SMILESCc1sc(C)c2nc(-c3ccc(-c4ccccc4)cc3)c(-c3ccc(-c4ccccc4)cc3)nc12
InChIInChI=1S/C32H24N2S/c1-21-29-30(22(2)35-21)34-32(28-19-15-26(16-20-28)24-11-7-4-8-12-24)31(33-29)27-17-13-25(14-18-27)23-9-5-3-6-10-23/h3-20H,1-2H3
InChIKeyFOHFBARAHWJNMV-UHFFFAOYSA-N
XLogP8.98
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.63
LogP ≤ 58.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-2,3-bis(4-phenylphenyl)thieno[3,4-b]pyrazine?
The IUPAC name of 5,7-dimethyl-2,3-bis(4-phenylphenyl)thieno[3,4-b]pyrazine (CID 22085768) is 5,7-dimethyl-2,3-bis(4-phenylphenyl)thieno[3,4-b]pyrazine.
What is the SMILES notation for 5,7-dimethyl-2,3-bis(4-phenylphenyl)thieno[3,4-b]pyrazine?
The canonical SMILES for 5,7-dimethyl-2,3-bis(4-phenylphenyl)thieno[3,4-b]pyrazine is Cc1sc(C)c2nc(-c3ccc(-c4ccccc4)cc3)c(-c3ccc(-c4ccccc4)cc3)nc12.
What is the InChIKey of 5,7-dimethyl-2,3-bis(4-phenylphenyl)thieno[3,4-b]pyrazine?
The InChIKey is FOHFBARAHWJNMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24N2S/c1-21-29-30(22(2)35-21)34-32(28-19-15-26(16-20-28)24-11-7-4-8-12-24)31(33-29)27-17-13-25(14-18-27)23-9-5-3-6-10-23/h3-20H,1-2H3.
What are the key properties of 5,7-dimethyl-2,3-bis(4-phenylphenyl)thieno[3,4-b]pyrazine?
5,7-dimethyl-2,3-bis(4-phenylphenyl)thieno[3,4-b]pyrazine has a molecular weight of 468.63 g/mol, XLogP of 8.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-2,3-bis(4-phenylphenyl)thieno[3,4-b]pyrazine is sourced from PubChem (CID 22085768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).