2-(4-chlorophenyl)-4-(6-phenyldibenzofuran-3-yl)-6-(4-phenylphenyl)-1,3,5-triazine

C39H24ClN3O — CID 171430930

IUPAC2-(4-chlorophenyl)-4-(6-phenyldibenzofuran-3-yl)-6-(4-phenylphenyl)-1,3,5-triazine
SMILESClc1ccc(-c2nc(-c3ccc(-c4ccccc4)cc3)nc(-c3ccc4c(c3)oc3c(-c5ccccc5)cccc34)n2)cc1
InChIInChI=1S/C39H24ClN3O/c40-31-21-18-29(19-22-31)38-41-37(28-16-14-26(15-17-28)25-8-3-1-4-9-25)42-39(43-38)30-20-23-33-34-13-7-12-32(27-10-5-2-6-11-27)36(34)44-35(33)24-30/h1-24H
InChIKeyQMEPBQOATRFEDI-UHFFFAOYSA-N
MW586.09 g/mol
LogP10.76
Rot. Bonds5

About 2-(4-chlorophenyl)-4-(6-phenyldibenzofuran-3-yl)-6-(4-phenylphenyl)-1,3,5-triazine

2-(4-chlorophenyl)-4-(6-phenyldibenzofuran-3-yl)-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 171430930) has the molecular formula C39H24ClN3O and a molecular weight of 586.09 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-(6-phenyldibenzofuran-3-yl)-6-(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-(6-phenyldibenzofuran-3-yl)-6-(4-phenylphenyl)-1,3,5-triazine
PubChem CID171430930
Molecular FormulaC39H24ClN3O
Molecular Weight586.09 g/mol
Exact Mass585.16
IUPAC Name2-(4-chlorophenyl)-4-(6-phenyldibenzofuran-3-yl)-6-(4-phenylphenyl)-1,3,5-triazine
SMILESClc1ccc(-c2nc(-c3ccc(-c4ccccc4)cc3)nc(-c3ccc4c(c3)oc3c(-c5ccccc5)cccc34)n2)cc1
InChIInChI=1S/C39H24ClN3O/c40-31-21-18-29(19-22-31)38-41-37(28-16-14-26(15-17-28)25-8-3-1-4-9-25)42-39(43-38)30-20-23-33-34-13-7-12-32(27-10-5-2-6-11-27)36(34)44-35(33)24-30/h1-24H
InChIKeyQMEPBQOATRFEDI-UHFFFAOYSA-N
XLogP10.76
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.09
LogP ≤ 510.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[6-[4-(3,5-diphenylphenyl)phenyl]dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 170364256
2-[7-[4-(4-dibenzofuran-4-ylphenyl)phenyl]dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166009476
2-phenyl-4-(7-phenyldibenzofuran-3-yl)-6-(7-phenyldibenzofuran-4-yl)-1,3,5-triazine
CID 155477108
2,4-diphenyl-6-[7-(4-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazine
CID 137496589
2-(4-dibenzofuran-3-ylphenyl)-4-(2-phenylphenyl)-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-(4-dibenzofuran-4-ylphenyl)-4-(2-phenylphenyl)-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-(4-dibenzofuran-4-ylphenyl)-4-(2-phenylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-(4-dibenzofuran-4-ylphenyl)-4-(2-phenylphenyl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 167548643
2-(6-dibenzofuran-4-yldibenzofuran-3-yl)-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 155377164
2-dibenzofuran-4-yl-4-(4-dibenzofuran-3-ylphenyl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 165160184
2-dibenzofuran-4-yl-4-[4-(6-phenyldibenzofuran-3-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 177269991
2,4-diphenyl-6-[7-[3-(4-phenylphenyl)phenyl]dibenzofuran-4-yl]-1,3,5-triazine
CID 166953095
2-[7-(2-dibenzofuran-4-ylphenyl)dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 176773450
2-(4-naphthalen-2-ylphenyl)-4-[4-(6-phenyldibenzofuran-3-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 170213977
2-[6-(2-dibenzofuran-3-ylphenyl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 176773535

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-(6-phenyldibenzofuran-3-yl)-6-(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-(4-chlorophenyl)-4-(6-phenyldibenzofuran-3-yl)-6-(4-phenylphenyl)-1,3,5-triazine (CID 171430930) is 2-(4-chlorophenyl)-4-(6-phenyldibenzofuran-3-yl)-6-(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-(4-chlorophenyl)-4-(6-phenyldibenzofuran-3-yl)-6-(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-(4-chlorophenyl)-4-(6-phenyldibenzofuran-3-yl)-6-(4-phenylphenyl)-1,3,5-triazine is Clc1ccc(-c2nc(-c3ccc(-c4ccccc4)cc3)nc(-c3ccc4c(c3)oc3c(-c5ccccc5)cccc34)n2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-4-(6-phenyldibenzofuran-3-yl)-6-(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is QMEPBQOATRFEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H24ClN3O/c40-31-21-18-29(19-22-31)38-41-37(28-16-14-26(15-17-28)25-8-3-1-4-9-25)42-39(43-38)30-20-23-33-34-13-7-12-32(27-10-5-2-6-11-27)36(34)44-35(33)24-30/h1-24H.
What are the key properties of 2-(4-chlorophenyl)-4-(6-phenyldibenzofuran-3-yl)-6-(4-phenylphenyl)-1,3,5-triazine?
2-(4-chlorophenyl)-4-(6-phenyldibenzofuran-3-yl)-6-(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 586.09 g/mol, XLogP of 10.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-(6-phenyldibenzofuran-3-yl)-6-(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 171430930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).