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

C30H24N2S — CID 22085763

IUPAC5,7-dimethyl-2,3-bis(naphthalen-2-ylmethyl)thieno[3,4-b]pyrazine
SMILESCc1sc(C)c2nc(Cc3ccc4ccccc4c3)c(Cc3ccc4ccccc4c3)nc12
InChIInChI=1S/C30H24N2S/c1-19-29-30(20(2)33-19)32-28(18-22-12-14-24-8-4-6-10-26(24)16-22)27(31-29)17-21-11-13-23-7-3-5-9-25(23)15-21/h3-16H,17-18H2,1-2H3
InChIKeyXXNUGEPJSRXRSW-UHFFFAOYSA-N
MW444.60 g/mol
LogP7.80
Rot. Bonds4

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

5,7-dimethyl-2,3-bis(naphthalen-2-ylmethyl)thieno[3,4-b]pyrazine (PubChem CID 22085763) has the molecular formula C30H24N2S and a molecular weight of 444.60 g/mol. Its IUPAC name is 5,7-dimethyl-2,3-bis(naphthalen-2-ylmethyl)thieno[3,4-b]pyrazine.

Molecular Properties

Compound Name5,7-dimethyl-2,3-bis(naphthalen-2-ylmethyl)thieno[3,4-b]pyrazine
PubChem CID22085763
Molecular FormulaC30H24N2S
Molecular Weight444.60 g/mol
Exact Mass444.17
IUPAC Name5,7-dimethyl-2,3-bis(naphthalen-2-ylmethyl)thieno[3,4-b]pyrazine
SMILESCc1sc(C)c2nc(Cc3ccc4ccccc4c3)c(Cc3ccc4ccccc4c3)nc12
InChIInChI=1S/C30H24N2S/c1-19-29-30(20(2)33-19)32-28(18-22-12-14-24-8-4-6-10-26(24)16-22)27(31-29)17-21-11-13-23-7-3-5-9-25(23)15-21/h3-16H,17-18H2,1-2H3
InChIKeyXXNUGEPJSRXRSW-UHFFFAOYSA-N
XLogP7.80
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.60
LogP ≤ 57.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(naphthalen-2-ylmethyl)naphthalene
CID 14123480
4-methyl-5-(naphthalen-2-ylmethyl)-1,3-thiazol-2-amine
CID 43637199
2-benzylnaphthalene
CID 11948
7-methyl-2-(naphthalen-2-ylmethyl)quinoxaline
CID 146214329
2-(naphthalen-2-ylmethyl)quinoxaline
CID 158138489
2-[(3-benzylphenyl)methyl]naphthalene
CID 157208363
2-[(2,5-dimethylphenyl)methyl]naphthalene
CID 101429734
4-ethyl-2-(naphthalen-2-ylmethyl)-1,3-thiazole-5-carboxylic acid
CID 83969610
ethane;2-ethylnaphthalene
CID 90684887
2-ethylnaphthalene;N-methylmethanamine;hydrochloride
CID 70022653
2-(naphthalen-2-ylmethyl)benzo[f]quinoxaline
CID 158149711
6-(naphthalen-2-ylmethyl)-1-benzothiophene
CID 123722451

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-2,3-bis(naphthalen-2-ylmethyl)thieno[3,4-b]pyrazine?
The IUPAC name of 5,7-dimethyl-2,3-bis(naphthalen-2-ylmethyl)thieno[3,4-b]pyrazine (CID 22085763) is 5,7-dimethyl-2,3-bis(naphthalen-2-ylmethyl)thieno[3,4-b]pyrazine.
What is the SMILES notation for 5,7-dimethyl-2,3-bis(naphthalen-2-ylmethyl)thieno[3,4-b]pyrazine?
The canonical SMILES for 5,7-dimethyl-2,3-bis(naphthalen-2-ylmethyl)thieno[3,4-b]pyrazine is Cc1sc(C)c2nc(Cc3ccc4ccccc4c3)c(Cc3ccc4ccccc4c3)nc12.
What is the InChIKey of 5,7-dimethyl-2,3-bis(naphthalen-2-ylmethyl)thieno[3,4-b]pyrazine?
The InChIKey is XXNUGEPJSRXRSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N2S/c1-19-29-30(20(2)33-19)32-28(18-22-12-14-24-8-4-6-10-26(24)16-22)27(31-29)17-21-11-13-23-7-3-5-9-25(23)15-21/h3-16H,17-18H2,1-2H3.
What are the key properties of 5,7-dimethyl-2,3-bis(naphthalen-2-ylmethyl)thieno[3,4-b]pyrazine?
5,7-dimethyl-2,3-bis(naphthalen-2-ylmethyl)thieno[3,4-b]pyrazine has a molecular weight of 444.60 g/mol, XLogP of 7.80, 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(naphthalen-2-ylmethyl)thieno[3,4-b]pyrazine is sourced from PubChem (CID 22085763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).