2-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazolin-4-yl]-[1]benzofuro[2,3-b]pyridine

C40H24N6O — CID 168747023

IUPAC2-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazolin-4-yl]-[1]benzofuro[2,3-b]pyridine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc5ncnc(-c6ccc7c(n6)oc6ccccc67)c45)c3)n2)cc1
InChIInChI=1S/C40H24N6O/c1-3-11-25(12-4-1)37-44-38(26-13-5-2-6-14-26)46-39(45-37)28-16-9-15-27(23-28)29-18-10-19-32-35(29)36(42-24-41-32)33-22-21-31-30-17-7-8-20-34(30)47-40(31)43-33/h1-24H
InChIKeySHDFVOKWDBGSAR-UHFFFAOYSA-N
MW604.67 g/mol
LogP9.44
Rot. Bonds5

About 2-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazolin-4-yl]-[1]benzofuro[2,3-b]pyridine

2-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazolin-4-yl]-[1]benzofuro[2,3-b]pyridine (PubChem CID 168747023) has the molecular formula C40H24N6O and a molecular weight of 604.67 g/mol. Its IUPAC name is 2-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazolin-4-yl]-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name2-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazolin-4-yl]-[1]benzofuro[2,3-b]pyridine
PubChem CID168747023
Molecular FormulaC40H24N6O
Molecular Weight604.67 g/mol
Exact Mass604.20
IUPAC Name2-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazolin-4-yl]-[1]benzofuro[2,3-b]pyridine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc5ncnc(-c6ccc7c(n6)oc6ccccc67)c45)c3)n2)cc1
InChIInChI=1S/C40H24N6O/c1-3-11-25(12-4-1)37-44-38(26-13-5-2-6-14-26)46-39(45-37)28-16-9-15-27(23-28)29-18-10-19-32-35(29)36(42-24-41-32)33-22-21-31-30-17-7-8-20-34(30)47-40(31)43-33/h1-24H
InChIKeySHDFVOKWDBGSAR-UHFFFAOYSA-N
XLogP9.44
TPSA90.48 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.67
LogP ≤ 59.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 168746922
2-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 168746849
2-[8-(3-dibenzofuran-1-ylphenyl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 171597252
2-dibenzofuran-2-yl-4-phenyl-6-[3-(8-triphenylen-2-yldibenzofuran-1-yl)phenyl]-1,3,5-triazine
CID 134199357
2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)isoquinolin-1-yl]-[1]benzofuro[2,3-b]pyridine
CID 168746878
2-(3-dibenzofuran-1-ylphenyl)-4-(3-dibenzofuran-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 139304365
2-(3-dibenzofuran-1-ylphenyl)-4-naphtho[2,1-b][1]benzofuran-2-yl-6-phenyl-1,3,5-triazine
CID 168740212
2-(3-dibenzofuran-1-ylphenyl)-4-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 139303458
2-[3-dibenzofuran-1-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 139442533
2-phenyl-4-(4-phenylphenyl)-6-(9-triphenylen-2-yldibenzofuran-2-yl)-1,3,5-triazine
CID 166952974
2-[10-(3-dibenzofuran-1-ylphenyl)triphenylen-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 166925668
2-[4-[4-[3-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-4-[3-(8-dibenzofuran-2-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 170010934

Frequently Asked Questions

What is the IUPAC name of 2-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazolin-4-yl]-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 2-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazolin-4-yl]-[1]benzofuro[2,3-b]pyridine (CID 168747023) is 2-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazolin-4-yl]-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 2-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazolin-4-yl]-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 2-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazolin-4-yl]-[1]benzofuro[2,3-b]pyridine is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc5ncnc(-c6ccc7c(n6)oc6ccccc67)c45)c3)n2)cc1.
What is the InChIKey of 2-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazolin-4-yl]-[1]benzofuro[2,3-b]pyridine?
The InChIKey is SHDFVOKWDBGSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24N6O/c1-3-11-25(12-4-1)37-44-38(26-13-5-2-6-14-26)46-39(45-37)28-16-9-15-27(23-28)29-18-10-19-32-35(29)36(42-24-41-32)33-22-21-31-30-17-7-8-20-34(30)47-40(31)43-33/h1-24H.
What are the key properties of 2-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazolin-4-yl]-[1]benzofuro[2,3-b]pyridine?
2-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazolin-4-yl]-[1]benzofuro[2,3-b]pyridine has a molecular weight of 604.67 g/mol, XLogP of 9.44, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazolin-4-yl]-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 168747023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).