8-(6-dibenzofuran-3-yl-8-dibenzothiophen-3-ylimidazo[1,2-a]pyrazin-3-yl)quinoline

C39H22N4OS — CID 134453036

IUPAC8-(6-dibenzofuran-3-yl-8-dibenzothiophen-3-ylimidazo[1,2-a]pyrazin-3-yl)quinoline
SMILESc1cnc2c(-c3cnc4c(-c5ccc6c(c5)sc5ccccc56)nc(-c5ccc6c(c5)oc5ccccc56)cn34)cccc2c1
InChIInChI=1S/C39H22N4OS/c1-3-12-33-26(9-1)27-16-14-24(19-34(27)44-33)31-22-43-32(30-11-5-7-23-8-6-18-40-37(23)30)21-41-39(43)38(42-31)25-15-17-29-28-10-2-4-13-35(28)45-36(29)20-25/h1-22H
InChIKeyVTJPJIWEKDGONZ-UHFFFAOYSA-N
MW594.70 g/mol
LogP10.55
Rot. Bonds3

About 8-(6-dibenzofuran-3-yl-8-dibenzothiophen-3-ylimidazo[1,2-a]pyrazin-3-yl)quinoline

8-(6-dibenzofuran-3-yl-8-dibenzothiophen-3-ylimidazo[1,2-a]pyrazin-3-yl)quinoline (PubChem CID 134453036) has the molecular formula C39H22N4OS and a molecular weight of 594.70 g/mol. Its IUPAC name is 8-(6-dibenzofuran-3-yl-8-dibenzothiophen-3-ylimidazo[1,2-a]pyrazin-3-yl)quinoline.

Molecular Properties

Compound Name8-(6-dibenzofuran-3-yl-8-dibenzothiophen-3-ylimidazo[1,2-a]pyrazin-3-yl)quinoline
PubChem CID134453036
Molecular FormulaC39H22N4OS
Molecular Weight594.70 g/mol
Exact Mass594.15
IUPAC Name8-(6-dibenzofuran-3-yl-8-dibenzothiophen-3-ylimidazo[1,2-a]pyrazin-3-yl)quinoline
SMILESc1cnc2c(-c3cnc4c(-c5ccc6c(c5)sc5ccccc56)nc(-c5ccc6c(c5)oc5ccccc56)cn34)cccc2c1
InChIInChI=1S/C39H22N4OS/c1-3-12-33-26(9-1)27-16-14-24(19-34(27)44-33)31-22-43-32(30-11-5-7-23-8-6-18-40-37(23)30)21-41-39(43)38(42-31)25-15-17-29-28-10-2-4-13-35(28)45-36(29)20-25/h1-22H
InChIKeyVTJPJIWEKDGONZ-UHFFFAOYSA-N
XLogP10.55
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.70
LogP ≤ 510.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(6-dibenzofuran-3-yl-8-dibenzothiophen-3-ylimidazo[1,2-a]pyrazin-3-yl)quinoline?
The IUPAC name of 8-(6-dibenzofuran-3-yl-8-dibenzothiophen-3-ylimidazo[1,2-a]pyrazin-3-yl)quinoline (CID 134453036) is 8-(6-dibenzofuran-3-yl-8-dibenzothiophen-3-ylimidazo[1,2-a]pyrazin-3-yl)quinoline.
What is the SMILES notation for 8-(6-dibenzofuran-3-yl-8-dibenzothiophen-3-ylimidazo[1,2-a]pyrazin-3-yl)quinoline?
The canonical SMILES for 8-(6-dibenzofuran-3-yl-8-dibenzothiophen-3-ylimidazo[1,2-a]pyrazin-3-yl)quinoline is c1cnc2c(-c3cnc4c(-c5ccc6c(c5)sc5ccccc56)nc(-c5ccc6c(c5)oc5ccccc56)cn34)cccc2c1.
What is the InChIKey of 8-(6-dibenzofuran-3-yl-8-dibenzothiophen-3-ylimidazo[1,2-a]pyrazin-3-yl)quinoline?
The InChIKey is VTJPJIWEKDGONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H22N4OS/c1-3-12-33-26(9-1)27-16-14-24(19-34(27)44-33)31-22-43-32(30-11-5-7-23-8-6-18-40-37(23)30)21-41-39(43)38(42-31)25-15-17-29-28-10-2-4-13-35(28)45-36(29)20-25/h1-22H.
What are the key properties of 8-(6-dibenzofuran-3-yl-8-dibenzothiophen-3-ylimidazo[1,2-a]pyrazin-3-yl)quinoline?
8-(6-dibenzofuran-3-yl-8-dibenzothiophen-3-ylimidazo[1,2-a]pyrazin-3-yl)quinoline has a molecular weight of 594.70 g/mol, XLogP of 10.55, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6-dibenzofuran-3-yl-8-dibenzothiophen-3-ylimidazo[1,2-a]pyrazin-3-yl)quinoline is sourced from PubChem (CID 134453036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).