2-[8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine

C49H27N5O3 — CID 154978721

IUPAC2-[8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc(-c2nc(-c3ccc4oc5cc(-c6nc(-c7ccccc7)c7oc8ccccc8c7n6)ccc5c4c3)nc(-c3cccc4c3oc3ccccc34)n2)cc1
InChIInChI=1S/C49H27N5O3/c1-3-12-28(13-4-1)42-45-43(35-17-8-10-21-39(35)57-45)51-47(50-42)31-22-24-33-37-26-30(23-25-40(37)55-41(33)27-31)48-52-46(29-14-5-2-6-15-29)53-49(54-48)36-19-11-18-34-32-16-7-9-20-38(32)56-44(34)36/h1-27H
InChIKeyZTJBIMFIQZIABF-UHFFFAOYSA-N
MW733.79 g/mol
LogP12.69
Rot. Bonds5

About 2-[8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine

2-[8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 154978721) has the molecular formula C49H27N5O3 and a molecular weight of 733.79 g/mol. Its IUPAC name is 2-[8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-[8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
PubChem CID154978721
Molecular FormulaC49H27N5O3
Molecular Weight733.79 g/mol
Exact Mass733.21
IUPAC Name2-[8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc(-c2nc(-c3ccc4oc5cc(-c6nc(-c7ccccc7)c7oc8ccccc8c7n6)ccc5c4c3)nc(-c3cccc4c3oc3ccccc34)n2)cc1
InChIInChI=1S/C49H27N5O3/c1-3-12-28(13-4-1)42-45-43(35-17-8-10-21-39(35)57-45)51-47(50-42)31-22-24-33-37-26-30(23-25-40(37)55-41(33)27-31)48-52-46(29-14-5-2-6-15-29)53-49(54-48)36-19-11-18-34-32-16-7-9-20-38(32)56-44(34)36/h1-27H
InChIKeyZTJBIMFIQZIABF-UHFFFAOYSA-N
XLogP12.69
TPSA103.87 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500733.79
LogP ≤ 512.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine with MolForge

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Related Compounds

2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-4-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 155049988
4-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 154978316
2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 155050360
4-[3-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 154978435
8-[9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidine
CID 170947083
2-[4-[6-[4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-[4-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]dibenzofuran-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-1-yl]phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 166673424
4-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 153309273
2-[6-(2-dibenzofuran-2-ylphenyl)dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 170192190
2-[8-(2-dibenzofuran-4-ylphenyl)dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 170192137
2-dibenzofuran-3-yl-4-[3-(8-phenyldibenzofuran-4-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 168850264
2-[6-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 154978730
2-dibenzofuran-4-yl-4-phenyl-6-(8-triphenylen-2-yldibenzofuran-2-yl)-1,3,5-triazine
CID 166952322

Frequently Asked Questions

What is the IUPAC name of 2-[8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 2-[8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine (CID 154978721) is 2-[8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 2-[8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 2-[8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine is c1ccc(-c2nc(-c3ccc4oc5cc(-c6nc(-c7ccccc7)c7oc8ccccc8c7n6)ccc5c4c3)nc(-c3cccc4c3oc3ccccc34)n2)cc1.
What is the InChIKey of 2-[8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is ZTJBIMFIQZIABF-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H27N5O3/c1-3-12-28(13-4-1)42-45-43(35-17-8-10-21-39(35)57-45)51-47(50-42)31-22-24-33-37-26-30(23-25-40(37)55-41(33)27-31)48-52-46(29-14-5-2-6-15-29)53-49(54-48)36-19-11-18-34-32-16-7-9-20-38(32)56-44(34)36/h1-27H.
What are the key properties of 2-[8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine?
2-[8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 733.79 g/mol, XLogP of 12.69, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 154978721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).