2-dibenzofuran-1-yl-4-phenyl-6-(4-phenyldibenzofuran-2-yl)-1,3,5-triazine

C39H23N3O2 — CID 171416687

IUPAC2-dibenzofuran-1-yl-4-phenyl-6-(4-phenyldibenzofuran-2-yl)-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3cc(-c4ccccc4)c4oc5ccccc5c4c3)nc(-c3cccc4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C39H23N3O2/c1-3-12-24(13-4-1)30-22-26(23-31-27-16-7-9-19-32(27)44-36(30)31)38-40-37(25-14-5-2-6-15-25)41-39(42-38)29-18-11-21-34-35(29)28-17-8-10-20-33(28)43-34/h1-23H
InChIKeyCPTBNIXDWZLWKJ-UHFFFAOYSA-N
MW565.63 g/mol
LogP10.34
Rot. Bonds4

About 2-dibenzofuran-1-yl-4-phenyl-6-(4-phenyldibenzofuran-2-yl)-1,3,5-triazine

2-dibenzofuran-1-yl-4-phenyl-6-(4-phenyldibenzofuran-2-yl)-1,3,5-triazine (PubChem CID 171416687) has the molecular formula C39H23N3O2 and a molecular weight of 565.63 g/mol. Its IUPAC name is 2-dibenzofuran-1-yl-4-phenyl-6-(4-phenyldibenzofuran-2-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-1-yl-4-phenyl-6-(4-phenyldibenzofuran-2-yl)-1,3,5-triazine
PubChem CID171416687
Molecular FormulaC39H23N3O2
Molecular Weight565.63 g/mol
Exact Mass565.18
IUPAC Name2-dibenzofuran-1-yl-4-phenyl-6-(4-phenyldibenzofuran-2-yl)-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3cc(-c4ccccc4)c4oc5ccccc5c4c3)nc(-c3cccc4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C39H23N3O2/c1-3-12-24(13-4-1)30-22-26(23-31-27-16-7-9-19-32(27)44-36(30)31)38-40-37(25-14-5-2-6-15-25)41-39(42-38)29-18-11-21-34-35(29)28-17-8-10-20-33(28)43-34/h1-23H
InChIKeyCPTBNIXDWZLWKJ-UHFFFAOYSA-N
XLogP10.34
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.63
LogP ≤ 510.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-dibenzofuran-1-yl-4-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-phenyldibenzofuran-2-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 166565423
2,4-diphenyl-6-[7-[4-(4-phenylphenyl)dibenzofuran-2-yl]dibenzofuran-1-yl]-1,3,5-triazine
CID 170378755
2,4-bis(3-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazine;2,4-bis(4-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-dibenzofuran-4-yl-1,3,5-triazine
CID 165081213
2-dibenzofuran-1-yl-4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazine;2,4-diphenyl-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine
CID 165018119
2-dibenzofuran-4-yl-4-phenyl-6-(7-triphenylen-2-yldibenzofuran-1-yl)-1,3,5-triazine
CID 166952539
2-(6,8-diphenyldibenzofuran-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 147117573
2,4-diphenyl-6-[3-phenyl-5-(4-phenyldibenzofuran-2-yl)phenyl]-1,3,5-triazine
CID 146369018
2-dibenzofuran-4-yl-4-phenyl-6-[7-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166741541
2-dibenzofuran-2-yl-4-(6-dibenzofuran-1-yldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 166742839
2-dibenzofuran-4-yl-4-phenyl-6-[8-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 134199121
2-(4-dibenzofuran-4-ylphenyl)-4-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 147201996
2-(6-dibenzofuran-2-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 146519914

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-1-yl-4-phenyl-6-(4-phenyldibenzofuran-2-yl)-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-1-yl-4-phenyl-6-(4-phenyldibenzofuran-2-yl)-1,3,5-triazine (CID 171416687) is 2-dibenzofuran-1-yl-4-phenyl-6-(4-phenyldibenzofuran-2-yl)-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-1-yl-4-phenyl-6-(4-phenyldibenzofuran-2-yl)-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-1-yl-4-phenyl-6-(4-phenyldibenzofuran-2-yl)-1,3,5-triazine is c1ccc(-c2nc(-c3cc(-c4ccccc4)c4oc5ccccc5c4c3)nc(-c3cccc4oc5ccccc5c34)n2)cc1.
What is the InChIKey of 2-dibenzofuran-1-yl-4-phenyl-6-(4-phenyldibenzofuran-2-yl)-1,3,5-triazine?
The InChIKey is CPTBNIXDWZLWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H23N3O2/c1-3-12-24(13-4-1)30-22-26(23-31-27-16-7-9-19-32(27)44-36(30)31)38-40-37(25-14-5-2-6-15-25)41-39(42-38)29-18-11-21-34-35(29)28-17-8-10-20-33(28)43-34/h1-23H.
What are the key properties of 2-dibenzofuran-1-yl-4-phenyl-6-(4-phenyldibenzofuran-2-yl)-1,3,5-triazine?
2-dibenzofuran-1-yl-4-phenyl-6-(4-phenyldibenzofuran-2-yl)-1,3,5-triazine has a molecular weight of 565.63 g/mol, XLogP of 10.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-1-yl-4-phenyl-6-(4-phenyldibenzofuran-2-yl)-1,3,5-triazine is sourced from PubChem (CID 171416687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).