2,4-diphenyl-6-[1-(4-phenylphenyl)dibenzofuran-3-yl]-1,4-dihydro-1,3,5-triazine

C39H27N3O — CID 163827341

IUPAC2,4-diphenyl-6-[1-(4-phenylphenyl)dibenzofuran-3-yl]-1,4-dihydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3ccccc3)N=C(c3cc(-c4ccc(-c5ccccc5)cc4)c4c(c3)oc3ccccc34)N2)cc1
InChIInChI=1S/C39H27N3O/c1-4-12-26(13-5-1)27-20-22-28(23-21-27)33-24-31(25-35-36(33)32-18-10-11-19-34(32)43-35)39-41-37(29-14-6-2-7-15-29)40-38(42-39)30-16-8-3-9-17-30/h1-25,37H,(H,40,41,42)
InChIKeyOGSJMXFKWPXKON-UHFFFAOYSA-N
MW553.67 g/mol
LogP9.42
Rot. Bonds5

About 2,4-diphenyl-6-[1-(4-phenylphenyl)dibenzofuran-3-yl]-1,4-dihydro-1,3,5-triazine

2,4-diphenyl-6-[1-(4-phenylphenyl)dibenzofuran-3-yl]-1,4-dihydro-1,3,5-triazine (PubChem CID 163827341) has the molecular formula C39H27N3O and a molecular weight of 553.67 g/mol. Its IUPAC name is 2,4-diphenyl-6-[1-(4-phenylphenyl)dibenzofuran-3-yl]-1,4-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diphenyl-6-[1-(4-phenylphenyl)dibenzofuran-3-yl]-1,4-dihydro-1,3,5-triazine
PubChem CID163827341
Molecular FormulaC39H27N3O
Molecular Weight553.67 g/mol
Exact Mass553.22
IUPAC Name2,4-diphenyl-6-[1-(4-phenylphenyl)dibenzofuran-3-yl]-1,4-dihydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3ccccc3)N=C(c3cc(-c4ccc(-c5ccccc5)cc4)c4c(c3)oc3ccccc34)N2)cc1
InChIInChI=1S/C39H27N3O/c1-4-12-26(13-5-1)27-20-22-28(23-21-27)33-24-31(25-35-36(33)32-18-10-11-19-34(32)43-35)39-41-37(29-14-6-2-7-15-29)40-38(42-39)30-16-8-3-9-17-30/h1-25,37H,(H,40,41,42)
InChIKeyOGSJMXFKWPXKON-UHFFFAOYSA-N
XLogP9.42
TPSA49.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.67
LogP ≤ 59.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-4-(4-phenylphenyl)-6-[3-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine
CID 170246810
4-naphthalen-2-yl-2-(3-phenyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 174327608
4-dibenzofuran-3-yl-2-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazine
CID 166961082
2-(4-chlorophenyl)-6-dibenzofuran-1-yl-4-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 170264704
2-(9-naphthalen-1-yldibenzofuran-3-yl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 166961458
4-phenanthren-2-yl-2-phenyl-6-(3-phenyldibenzofuran-1-yl)-1,4-dihydro-1,3,5-triazine
CID 170289982
2-(7-chlorodibenzofuran-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 167030218
2-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-4-[4-(4-phenylphenyl)phenyl]-1,4-dihydro-1,3,5-triazine
CID 170290357
2-naphtho[2,1-b][1]benzofuran-9-yl-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 156549192
2-dibenzofuran-1-yl-6-phenyl-4-[4-(7-phenyldibenzofuran-1-yl)naphthalen-1-yl]-1,4-dihydro-1,3,5-triazine
CID 167030326
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-naphthalen-2-yl-4-(1-naphthalen-2-yldibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazine
CID 167402276

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[1-(4-phenylphenyl)dibenzofuran-3-yl]-1,4-dihydro-1,3,5-triazine?
The IUPAC name of 2,4-diphenyl-6-[1-(4-phenylphenyl)dibenzofuran-3-yl]-1,4-dihydro-1,3,5-triazine (CID 163827341) is 2,4-diphenyl-6-[1-(4-phenylphenyl)dibenzofuran-3-yl]-1,4-dihydro-1,3,5-triazine.
What is the SMILES notation for 2,4-diphenyl-6-[1-(4-phenylphenyl)dibenzofuran-3-yl]-1,4-dihydro-1,3,5-triazine?
The canonical SMILES for 2,4-diphenyl-6-[1-(4-phenylphenyl)dibenzofuran-3-yl]-1,4-dihydro-1,3,5-triazine is c1ccc(C2=NC(c3ccccc3)N=C(c3cc(-c4ccc(-c5ccccc5)cc4)c4c(c3)oc3ccccc34)N2)cc1.
What is the InChIKey of 2,4-diphenyl-6-[1-(4-phenylphenyl)dibenzofuran-3-yl]-1,4-dihydro-1,3,5-triazine?
The InChIKey is OGSJMXFKWPXKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H27N3O/c1-4-12-26(13-5-1)27-20-22-28(23-21-27)33-24-31(25-35-36(33)32-18-10-11-19-34(32)43-35)39-41-37(29-14-6-2-7-15-29)40-38(42-39)30-16-8-3-9-17-30/h1-25,37H,(H,40,41,42).
What are the key properties of 2,4-diphenyl-6-[1-(4-phenylphenyl)dibenzofuran-3-yl]-1,4-dihydro-1,3,5-triazine?
2,4-diphenyl-6-[1-(4-phenylphenyl)dibenzofuran-3-yl]-1,4-dihydro-1,3,5-triazine has a molecular weight of 553.67 g/mol, XLogP of 9.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-[1-(4-phenylphenyl)dibenzofuran-3-yl]-1,4-dihydro-1,3,5-triazine is sourced from PubChem (CID 163827341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).