2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine

C49H29N5O2 — CID 155050360

IUPAC2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc(-c2cccc(-c3nc(-c4cccc5c4oc4cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)ccc45)nc4c3oc3ccccc34)c2)cc1
InChIInChI=1S/C49H29N5O2/c1-4-14-30(15-5-1)33-20-12-21-34(28-33)42-45-43(38-22-10-11-25-40(38)55-45)51-49(50-42)39-24-13-23-37-36-27-26-35(29-41(36)56-44(37)39)48-53-46(31-16-6-2-7-17-31)52-47(54-48)32-18-8-3-9-19-32/h1-29H
InChIKeyWMMXEESYPUVZFL-UHFFFAOYSA-N
MW719.80 g/mol
LogP12.46
Rot. Bonds6

About 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine

2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 155050360) has the molecular formula C49H29N5O2 and a molecular weight of 719.80 g/mol. Its IUPAC name is 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
PubChem CID155050360
Molecular FormulaC49H29N5O2
Molecular Weight719.80 g/mol
Exact Mass719.23
IUPAC Name2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc(-c2cccc(-c3nc(-c4cccc5c4oc4cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)ccc45)nc4c3oc3ccccc34)c2)cc1
InChIInChI=1S/C49H29N5O2/c1-4-14-30(15-5-1)33-20-12-21-34(28-33)42-45-43(38-22-10-11-25-40(38)55-45)51-49(50-42)39-24-13-23-37-36-27-26-35(29-41(36)56-44(37)39)48-53-46(31-16-6-2-7-17-31)52-47(54-48)32-18-8-3-9-19-32/h1-29H
InChIKeyWMMXEESYPUVZFL-UHFFFAOYSA-N
XLogP12.46
TPSA90.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500719.80
LogP ≤ 512.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-[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
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
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-(2-phenylphenyl)-4-(4-phenylphenyl)-7-[3-[3-[4-(2-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidin-2-yl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 123431759
2-dibenzofuran-4-yl-4-phenyl-6-[3-[2-(4-phenylphenyl)-4-[6-[4-phenyl-6-[3-[2-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]phenyl]-1,3,5-triazine
CID 139441712
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
2-(9-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 176817701
2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 153309581
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-dibenzofuran-4-yl-4-(3,5-diphenylphenyl)-6-(7-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 170186979

Frequently Asked Questions

What is the IUPAC name of 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 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) is 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine is c1ccc(-c2cccc(-c3nc(-c4cccc5c4oc4cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)ccc45)nc4c3oc3ccccc34)c2)cc1.
What is the InChIKey of 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is WMMXEESYPUVZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H29N5O2/c1-4-14-30(15-5-1)33-20-12-21-34(28-33)42-45-43(38-22-10-11-25-40(38)55-45)51-49(50-42)39-24-13-23-37-36-27-26-35(29-41(36)56-44(37)39)48-53-46(31-16-6-2-7-17-31)52-47(54-48)32-18-8-3-9-19-32/h1-29H.
What are the key properties of 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine?
2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 719.80 g/mol, XLogP of 12.46, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 155050360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).