6-dibenzofuran-3-yl-8-dibenzothiophen-3-yl-3-naphthalen-2-ylimidazo[1,2-a]pyrazine

C40H23N3OS — CID 134453031

IUPAC6-dibenzofuran-3-yl-8-dibenzothiophen-3-yl-3-naphthalen-2-ylimidazo[1,2-a]pyrazine
SMILESc1ccc2cc(-c3cnc4c(-c5ccc6c(c5)sc5ccccc56)nc(-c5ccc6c(c5)oc5ccccc56)cn34)ccc2c1
InChIInChI=1S/C40H23N3OS/c1-2-8-25-19-27(14-13-24(25)7-1)34-22-41-40-39(28-16-18-32-31-10-4-6-12-37(31)45-38(32)21-28)42-33(23-43(34)40)26-15-17-30-29-9-3-5-11-35(29)44-36(30)20-26/h1-23H
InChIKeyNNMWPYGQKPNDPK-UHFFFAOYSA-N
MW593.71 g/mol
LogP11.15
Rot. Bonds3

About 6-dibenzofuran-3-yl-8-dibenzothiophen-3-yl-3-naphthalen-2-ylimidazo[1,2-a]pyrazine

6-dibenzofuran-3-yl-8-dibenzothiophen-3-yl-3-naphthalen-2-ylimidazo[1,2-a]pyrazine (PubChem CID 134453031) has the molecular formula C40H23N3OS and a molecular weight of 593.71 g/mol. Its IUPAC name is 6-dibenzofuran-3-yl-8-dibenzothiophen-3-yl-3-naphthalen-2-ylimidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name6-dibenzofuran-3-yl-8-dibenzothiophen-3-yl-3-naphthalen-2-ylimidazo[1,2-a]pyrazine
PubChem CID134453031
Molecular FormulaC40H23N3OS
Molecular Weight593.71 g/mol
Exact Mass593.16
IUPAC Name6-dibenzofuran-3-yl-8-dibenzothiophen-3-yl-3-naphthalen-2-ylimidazo[1,2-a]pyrazine
SMILESc1ccc2cc(-c3cnc4c(-c5ccc6c(c5)sc5ccccc56)nc(-c5ccc6c(c5)oc5ccccc56)cn34)ccc2c1
InChIInChI=1S/C40H23N3OS/c1-2-8-25-19-27(14-13-24(25)7-1)34-22-41-40-39(28-16-18-32-31-10-4-6-12-37(31)45-38(32)21-28)42-33(23-43(34)40)26-15-17-30-29-9-3-5-11-35(29)44-36(30)20-26/h1-23H
InChIKeyNNMWPYGQKPNDPK-UHFFFAOYSA-N
XLogP11.15
TPSA43.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.71
LogP ≤ 511.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-dibenzofuran-3-yl-8-dibenzothiophen-3-yl-3-naphthalen-2-ylimidazo[1,2-a]pyrazine?
The IUPAC name of 6-dibenzofuran-3-yl-8-dibenzothiophen-3-yl-3-naphthalen-2-ylimidazo[1,2-a]pyrazine (CID 134453031) is 6-dibenzofuran-3-yl-8-dibenzothiophen-3-yl-3-naphthalen-2-ylimidazo[1,2-a]pyrazine.
What is the SMILES notation for 6-dibenzofuran-3-yl-8-dibenzothiophen-3-yl-3-naphthalen-2-ylimidazo[1,2-a]pyrazine?
The canonical SMILES for 6-dibenzofuran-3-yl-8-dibenzothiophen-3-yl-3-naphthalen-2-ylimidazo[1,2-a]pyrazine is c1ccc2cc(-c3cnc4c(-c5ccc6c(c5)sc5ccccc56)nc(-c5ccc6c(c5)oc5ccccc56)cn34)ccc2c1.
What is the InChIKey of 6-dibenzofuran-3-yl-8-dibenzothiophen-3-yl-3-naphthalen-2-ylimidazo[1,2-a]pyrazine?
The InChIKey is NNMWPYGQKPNDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H23N3OS/c1-2-8-25-19-27(14-13-24(25)7-1)34-22-41-40-39(28-16-18-32-31-10-4-6-12-37(31)45-38(32)21-28)42-33(23-43(34)40)26-15-17-30-29-9-3-5-11-35(29)44-36(30)20-26/h1-23H.
What are the key properties of 6-dibenzofuran-3-yl-8-dibenzothiophen-3-yl-3-naphthalen-2-ylimidazo[1,2-a]pyrazine?
6-dibenzofuran-3-yl-8-dibenzothiophen-3-yl-3-naphthalen-2-ylimidazo[1,2-a]pyrazine has a molecular weight of 593.71 g/mol, XLogP of 11.15, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-dibenzofuran-3-yl-8-dibenzothiophen-3-yl-3-naphthalen-2-ylimidazo[1,2-a]pyrazine is sourced from PubChem (CID 134453031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).