8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-[1]benzofuro[2,3-b]pyrazine

C37H21N5O2 — CID 118507726

IUPAC8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-[1]benzofuro[2,3-b]pyrazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5ccc(-c6ccc7oc8nccnc8c7c6)cc5c34)n2)cc1
InChIInChI=1S/C37H21N5O2/c1-3-8-22(9-4-1)34-40-35(23-10-5-2-6-11-23)42-36(41-34)26-12-7-13-31-32(26)27-20-24(14-16-29(27)43-31)25-15-17-30-28(21-25)33-37(44-30)39-19-18-38-33/h1-21H
InChIKeyJORZFIBYMDYULF-UHFFFAOYSA-N
MW567.61 g/mol
LogP9.13
Rot. Bonds4

About 8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-[1]benzofuro[2,3-b]pyrazine

8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-[1]benzofuro[2,3-b]pyrazine (PubChem CID 118507726) has the molecular formula C37H21N5O2 and a molecular weight of 567.61 g/mol. Its IUPAC name is 8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-[1]benzofuro[2,3-b]pyrazine.

Molecular Properties

Compound Name8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-[1]benzofuro[2,3-b]pyrazine
PubChem CID118507726
Molecular FormulaC37H21N5O2
Molecular Weight567.61 g/mol
Exact Mass567.17
IUPAC Name8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-[1]benzofuro[2,3-b]pyrazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5ccc(-c6ccc7oc8nccnc8c7c6)cc5c34)n2)cc1
InChIInChI=1S/C37H21N5O2/c1-3-8-22(9-4-1)34-40-35(23-10-5-2-6-11-23)42-36(41-34)26-12-7-13-31-32(26)27-20-24(14-16-29(27)43-31)25-15-17-30-28(21-25)33-37(44-30)39-19-18-38-33/h1-21H
InChIKeyJORZFIBYMDYULF-UHFFFAOYSA-N
XLogP9.13
TPSA90.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.61
LogP ≤ 59.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-[1]benzofuro[2,3-b]pyrazine?
The IUPAC name of 8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-[1]benzofuro[2,3-b]pyrazine (CID 118507726) is 8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-[1]benzofuro[2,3-b]pyrazine.
What is the SMILES notation for 8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-[1]benzofuro[2,3-b]pyrazine?
The canonical SMILES for 8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-[1]benzofuro[2,3-b]pyrazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5ccc(-c6ccc7oc8nccnc8c7c6)cc5c34)n2)cc1.
What is the InChIKey of 8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-[1]benzofuro[2,3-b]pyrazine?
The InChIKey is JORZFIBYMDYULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H21N5O2/c1-3-8-22(9-4-1)34-40-35(23-10-5-2-6-11-23)42-36(41-34)26-12-7-13-31-32(26)27-20-24(14-16-29(27)43-31)25-15-17-30-28(21-25)33-37(44-30)39-19-18-38-33/h1-21H.
What are the key properties of 8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-[1]benzofuro[2,3-b]pyrazine?
8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-[1]benzofuro[2,3-b]pyrazine has a molecular weight of 567.61 g/mol, XLogP of 9.13, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-[1]benzofuro[2,3-b]pyrazine is sourced from PubChem (CID 118507726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).