2-dibenzofuran-4-yl-4-phenyl-6-triphenylen-2-ylpyrimidine

C40H24N2O — CID 129223980

IUPAC2-dibenzofuran-4-yl-4-phenyl-6-triphenylen-2-ylpyrimidine
SMILESc1ccc(-c2cc(-c3ccc4c5ccccc5c5ccccc5c4c3)nc(-c3cccc4c3oc3ccccc34)n2)cc1
InChIInChI=1S/C40H24N2O/c1-2-11-25(12-3-1)36-24-37(42-40(41-36)34-19-10-18-33-32-17-8-9-20-38(32)43-39(33)34)26-21-22-31-29-15-5-4-13-27(29)28-14-6-7-16-30(28)35(31)23-26/h1-24H
InChIKeyFCWUGGLJYZLJGX-UHFFFAOYSA-N
MW548.65 g/mol
LogP10.84
Rot. Bonds3

About 2-dibenzofuran-4-yl-4-phenyl-6-triphenylen-2-ylpyrimidine

2-dibenzofuran-4-yl-4-phenyl-6-triphenylen-2-ylpyrimidine (PubChem CID 129223980) has the molecular formula C40H24N2O and a molecular weight of 548.65 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-4-phenyl-6-triphenylen-2-ylpyrimidine.

Molecular Properties

Compound Name2-dibenzofuran-4-yl-4-phenyl-6-triphenylen-2-ylpyrimidine
PubChem CID129223980
Molecular FormulaC40H24N2O
Molecular Weight548.65 g/mol
Exact Mass548.19
IUPAC Name2-dibenzofuran-4-yl-4-phenyl-6-triphenylen-2-ylpyrimidine
SMILESc1ccc(-c2cc(-c3ccc4c5ccccc5c5ccccc5c4c3)nc(-c3cccc4c3oc3ccccc34)n2)cc1
InChIInChI=1S/C40H24N2O/c1-2-11-25(12-3-1)36-24-37(42-40(41-36)34-19-10-18-33-32-17-8-9-20-38(32)43-39(33)34)26-21-22-31-29-15-5-4-13-27(29)28-14-6-7-16-30(28)35(31)23-26/h1-24H
InChIKeyFCWUGGLJYZLJGX-UHFFFAOYSA-N
XLogP10.84
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.65
LogP ≤ 510.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-(4-dibenzofuran-4-ylphenyl)-4,6-diphenylpyrimidine
CID 134271754
2-dibenzofuran-4-yl-4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-phenylphenyl)pyrimidine
CID 130465872
4-(3-dibenzofuran-4-yl-5-phenylphenyl)-2-phenyl-6-triphenylen-2-ylpyrimidine
CID 171585514
4,6-diphenyl-2-[8-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-yl]pyrimidine
CID 166952923
4-dibenzofuran-3-yl-6-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-2-phenylpyrimidine
CID 121460851
2-dibenzofuran-3-yl-4-(4-dibenzofuran-4-ylphenyl)-6-(4-phenylphenyl)pyrimidine
CID 130465665
2-dibenzofuran-4-yl-4-phenyl-6-(6-triphenylen-2-yldibenzofuran-4-yl)-1,3,5-triazine
CID 166953249
2-[3-[3-[6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 154613834
2-dibenzofuran-4-yl-4-phenyl-6-(8-triphenylen-2-yldibenzofuran-2-yl)-1,3,5-triazine
CID 166952322
2-(1-dibenzofuran-4-yldibenzofuran-4-yl)-4-phenyl-6-(4-phenylphenyl)pyrimidine
CID 157084130
4-(3-dibenzofuran-4-ylphenyl)-2-naphthalen-1-yl-6-(4-phenylphenyl)pyrimidine
CID 130465782
4,6-di(dibenzofuran-4-yl)-2-(2-phenylphenyl)pyrimidine
CID 167349491

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-4-yl-4-phenyl-6-triphenylen-2-ylpyrimidine?
The IUPAC name of 2-dibenzofuran-4-yl-4-phenyl-6-triphenylen-2-ylpyrimidine (CID 129223980) is 2-dibenzofuran-4-yl-4-phenyl-6-triphenylen-2-ylpyrimidine.
What is the SMILES notation for 2-dibenzofuran-4-yl-4-phenyl-6-triphenylen-2-ylpyrimidine?
The canonical SMILES for 2-dibenzofuran-4-yl-4-phenyl-6-triphenylen-2-ylpyrimidine is c1ccc(-c2cc(-c3ccc4c5ccccc5c5ccccc5c4c3)nc(-c3cccc4c3oc3ccccc34)n2)cc1.
What is the InChIKey of 2-dibenzofuran-4-yl-4-phenyl-6-triphenylen-2-ylpyrimidine?
The InChIKey is FCWUGGLJYZLJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24N2O/c1-2-11-25(12-3-1)36-24-37(42-40(41-36)34-19-10-18-33-32-17-8-9-20-38(32)43-39(33)34)26-21-22-31-29-15-5-4-13-27(29)28-14-6-7-16-30(28)35(31)23-26/h1-24H.
What are the key properties of 2-dibenzofuran-4-yl-4-phenyl-6-triphenylen-2-ylpyrimidine?
2-dibenzofuran-4-yl-4-phenyl-6-triphenylen-2-ylpyrimidine has a molecular weight of 548.65 g/mol, XLogP of 10.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-4-yl-4-phenyl-6-triphenylen-2-ylpyrimidine is sourced from PubChem (CID 129223980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).