4-dibenzofuran-3-yl-2-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazine

C39H25N3O2 — CID 166961082

IUPAC4-dibenzofuran-3-yl-2-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3ccc4c(c3)oc3ccccc34)N=C(c3ccc4c(c3)oc3cccc(-c5ccccc5)c34)N2)cc1
InChIInChI=1S/C39H25N3O2/c1-3-10-24(11-4-1)28-15-9-17-33-36(28)31-21-19-27(23-35(31)44-33)39-41-37(25-12-5-2-6-13-25)40-38(42-39)26-18-20-30-29-14-7-8-16-32(29)43-34(30)22-26/h1-23,38H,(H,40,41,42)
InChIKeyAGBDWEWJIBGUAM-UHFFFAOYSA-N
MW567.65 g/mol
LogP9.65
Rot. Bonds4

About 4-dibenzofuran-3-yl-2-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazine

4-dibenzofuran-3-yl-2-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazine (PubChem CID 166961082) has the molecular formula C39H25N3O2 and a molecular weight of 567.65 g/mol. Its IUPAC name is 4-dibenzofuran-3-yl-2-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name4-dibenzofuran-3-yl-2-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazine
PubChem CID166961082
Molecular FormulaC39H25N3O2
Molecular Weight567.65 g/mol
Exact Mass567.19
IUPAC Name4-dibenzofuran-3-yl-2-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3ccc4c(c3)oc3ccccc34)N=C(c3ccc4c(c3)oc3cccc(-c5ccccc5)c34)N2)cc1
InChIInChI=1S/C39H25N3O2/c1-3-10-24(11-4-1)28-15-9-17-33-36(28)31-21-19-27(23-35(31)44-33)39-41-37(25-12-5-2-6-13-25)40-38(42-39)26-18-20-30-29-14-7-8-16-32(29)43-34(30)22-26/h1-23,38H,(H,40,41,42)
InChIKeyAGBDWEWJIBGUAM-UHFFFAOYSA-N
XLogP9.65
TPSA63.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.65
LogP ≤ 59.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-dibenzofuran-3-yl-2-(5-dibenzofuran-1-ylnaphthalen-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 170295943
4-dibenzofuran-3-yl-2-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine
CID 170249363
2-dibenzofuran-3-yl-6-phenyl-4-(7-triphenylen-2-yldibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazine
CID 166961195
4-dibenzofuran-2-yl-2-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 170249185
2-(9-naphthalen-1-yldibenzofuran-3-yl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 166961458
9-[6-phenyl-4-(9-phenyldibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazin-2-yl]carbazole
CID 174276647
2,4-diphenyl-6-[1-(4-phenylphenyl)dibenzofuran-3-yl]-1,4-dihydro-1,3,5-triazine
CID 163827341
2-phenyl-4-(4-phenylphenyl)-6-[3-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine
CID 170246810
2-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-4-[4-(4-phenylphenyl)phenyl]-1,4-dihydro-1,3,5-triazine
CID 170290357
2-dibenzofuran-1-yl-6-phenyl-4-[4-(7-phenyldibenzofuran-1-yl)naphthalen-1-yl]-1,4-dihydro-1,3,5-triazine
CID 167030326
9-[7-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzofuran-2-yl]-4-phenylcarbazole
CID 166961353
2-(4-chlorophenyl)-6-dibenzofuran-1-yl-4-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 170264704

Frequently Asked Questions

What is the IUPAC name of 4-dibenzofuran-3-yl-2-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazine?
The IUPAC name of 4-dibenzofuran-3-yl-2-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazine (CID 166961082) is 4-dibenzofuran-3-yl-2-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazine.
What is the SMILES notation for 4-dibenzofuran-3-yl-2-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazine?
The canonical SMILES for 4-dibenzofuran-3-yl-2-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazine is c1ccc(C2=NC(c3ccc4c(c3)oc3ccccc34)N=C(c3ccc4c(c3)oc3cccc(-c5ccccc5)c34)N2)cc1.
What is the InChIKey of 4-dibenzofuran-3-yl-2-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazine?
The InChIKey is AGBDWEWJIBGUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H25N3O2/c1-3-10-24(11-4-1)28-15-9-17-33-36(28)31-21-19-27(23-35(31)44-33)39-41-37(25-12-5-2-6-13-25)40-38(42-39)26-18-20-30-29-14-7-8-16-32(29)43-34(30)22-26/h1-23,38H,(H,40,41,42).
What are the key properties of 4-dibenzofuran-3-yl-2-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazine?
4-dibenzofuran-3-yl-2-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazine has a molecular weight of 567.65 g/mol, XLogP of 9.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzofuran-3-yl-2-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazine is sourced from PubChem (CID 166961082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).