2-dibenzofuran-3-yl-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoxaline

C41H25N5O — CID 168746371

IUPAC2-dibenzofuran-3-yl-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoxaline
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4nc5ccccc5nc4-c4ccc5c(c4)oc4ccccc45)c3)n2)cc1
InChIInChI=1S/C41H25N5O/c1-3-12-26(13-4-1)39-44-40(27-14-5-2-6-15-27)46-41(45-39)30-17-11-16-28(24-30)37-38(43-34-20-9-8-19-33(34)42-37)29-22-23-32-31-18-7-10-21-35(31)47-36(32)25-29/h1-25H
InChIKeyUTOGSMSFXQLWCU-UHFFFAOYSA-N
MW603.69 g/mol
LogP10.05
Rot. Bonds5

About 2-dibenzofuran-3-yl-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoxaline

2-dibenzofuran-3-yl-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoxaline (PubChem CID 168746371) has the molecular formula C41H25N5O and a molecular weight of 603.69 g/mol. Its IUPAC name is 2-dibenzofuran-3-yl-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoxaline.

Molecular Properties

Compound Name2-dibenzofuran-3-yl-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoxaline
PubChem CID168746371
Molecular FormulaC41H25N5O
Molecular Weight603.69 g/mol
Exact Mass603.21
IUPAC Name2-dibenzofuran-3-yl-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoxaline
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4nc5ccccc5nc4-c4ccc5c(c4)oc4ccccc45)c3)n2)cc1
InChIInChI=1S/C41H25N5O/c1-3-12-26(13-4-1)39-44-40(27-14-5-2-6-15-27)46-41(45-39)30-17-11-16-28(24-30)37-38(43-34-20-9-8-19-33(34)42-37)29-22-23-32-31-18-7-10-21-35(31)47-36(32)25-29/h1-25H
InChIKeyUTOGSMSFXQLWCU-UHFFFAOYSA-N
XLogP10.05
TPSA77.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.69
LogP ≤ 510.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-dibenzofuran-3-yl-4-[3-(3-dibenzofuran-3-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 138625830
2-(4-dibenzofuran-3-ylphenyl)-4-phenyl-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 142425264
2-dibenzofuran-3-yl-4-(4-dibenzofuran-3-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 168850143
2-dibenzofuran-3-yl-4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 138625817
2-(4-dibenzofuran-3-ylphenyl)-4-[3-(3,5-diphenylphenyl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 168850214
2-dibenzofuran-3-yl-4-(3-dibenzofuran-3-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 168850239
2-dibenzofuran-3-yl-4-(4-phenylphenyl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 138729899
2-(7-dibenzofuran-3-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine
CID 147277372
2-dibenzofuran-3-yl-4-phenyl-6-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazine
CID 138729900
2-[3-dibenzofuran-3-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 139442386
2-(3-dibenzofuran-3-ylphenyl)-4-phenyl-6-(7-phenyldibenzofuran-2-yl)-1,3,5-triazine
CID 155773189
2-(2-dibenzofuran-3-ylphenyl)-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 168850267

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-3-yl-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoxaline?
The IUPAC name of 2-dibenzofuran-3-yl-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoxaline (CID 168746371) is 2-dibenzofuran-3-yl-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoxaline.
What is the SMILES notation for 2-dibenzofuran-3-yl-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoxaline?
The canonical SMILES for 2-dibenzofuran-3-yl-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoxaline is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4nc5ccccc5nc4-c4ccc5c(c4)oc4ccccc45)c3)n2)cc1.
What is the InChIKey of 2-dibenzofuran-3-yl-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoxaline?
The InChIKey is UTOGSMSFXQLWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H25N5O/c1-3-12-26(13-4-1)39-44-40(27-14-5-2-6-15-27)46-41(45-39)30-17-11-16-28(24-30)37-38(43-34-20-9-8-19-33(34)42-37)29-22-23-32-31-18-7-10-21-35(31)47-36(32)25-29/h1-25H.
What are the key properties of 2-dibenzofuran-3-yl-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoxaline?
2-dibenzofuran-3-yl-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoxaline has a molecular weight of 603.69 g/mol, XLogP of 10.05, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-3-yl-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoxaline is sourced from PubChem (CID 168746371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).