4,6-di(dibenzofuran-4-yl)-2-(2-phenylphenyl)pyrimidine

C40H24N2O2 — CID 167349491

IUPAC4,6-di(dibenzofuran-4-yl)-2-(2-phenylphenyl)pyrimidine
SMILESc1ccc(-c2ccccc2-c2nc(-c3cccc4c3oc3ccccc34)cc(-c3cccc4c3oc3ccccc34)n2)cc1
InChIInChI=1S/C40H24N2O2/c1-2-12-25(13-3-1)26-14-4-5-17-31(26)40-41-34(32-20-10-18-29-27-15-6-8-22-36(27)43-38(29)32)24-35(42-40)33-21-11-19-30-28-16-7-9-23-37(28)44-39(30)33/h1-24H
InChIKeyHMKMQAYQOYCYGM-UHFFFAOYSA-N
MW564.64 g/mol
LogP10.94
Rot. Bonds4

About 4,6-di(dibenzofuran-4-yl)-2-(2-phenylphenyl)pyrimidine

4,6-di(dibenzofuran-4-yl)-2-(2-phenylphenyl)pyrimidine (PubChem CID 167349491) has the molecular formula C40H24N2O2 and a molecular weight of 564.64 g/mol. Its IUPAC name is 4,6-di(dibenzofuran-4-yl)-2-(2-phenylphenyl)pyrimidine.

Molecular Properties

Compound Name4,6-di(dibenzofuran-4-yl)-2-(2-phenylphenyl)pyrimidine
PubChem CID167349491
Molecular FormulaC40H24N2O2
Molecular Weight564.64 g/mol
Exact Mass564.18
IUPAC Name4,6-di(dibenzofuran-4-yl)-2-(2-phenylphenyl)pyrimidine
SMILESc1ccc(-c2ccccc2-c2nc(-c3cccc4c3oc3ccccc34)cc(-c3cccc4c3oc3ccccc34)n2)cc1
InChIInChI=1S/C40H24N2O2/c1-2-12-25(13-3-1)26-14-4-5-17-31(26)40-41-34(32-20-10-18-29-27-15-6-8-22-36(27)43-38(29)32)24-35(42-40)33-21-11-19-30-28-16-7-9-23-37(28)44-39(30)33/h1-24H
InChIKeyHMKMQAYQOYCYGM-UHFFFAOYSA-N
XLogP10.94
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.64
LogP ≤ 510.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4,6-di(dibenzofuran-4-yl)-2-(2-phenylphenyl)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

2,4-di(dibenzofuran-4-yl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 163620133
4,6-di(dibenzofuran-4-yl)-2-[2-phenyl-6-(4-phenylphenyl)phenyl]pyrimidine
CID 167349519
4,6-di(dibenzofuran-4-yl)-2-[2,4-diphenyl-6-(2-phenylphenyl)phenyl]pyrimidine
CID 167348960
4-[3-dibenzofuran-4-yl-5-(3-phenylphenyl)phenyl]-6-phenyl-2-(2-phenylphenyl)pyrimidine
CID 171585380
4,6-di(dibenzofuran-4-yl)-2-[2,4-diphenyl-6-(4-phenylphenyl)phenyl]pyrimidine
CID 167349534
4-(4-dibenzofuran-4-ylnaphthalen-1-yl)-2-phenyl-6-(5-phenylnaphthalen-1-yl)pyrimidine
CID 176632459
2-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine
CID 164942421
2-dibenzofuran-4-yl-4-(2-naphthalen-1-ylphenyl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 155481309
2-(4-dibenzofuran-4-ylphenyl)-4,6-diphenylpyrimidine
CID 134271754
2-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 164942555
2-dibenzofuran-4-yl-4-phenyl-6-triphenylen-2-ylpyrimidine
CID 129223980
2-dibenzofuran-4-yl-4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-phenylphenyl)pyrimidine
CID 130465872

Frequently Asked Questions

What is the IUPAC name of 4,6-di(dibenzofuran-4-yl)-2-(2-phenylphenyl)pyrimidine?
The IUPAC name of 4,6-di(dibenzofuran-4-yl)-2-(2-phenylphenyl)pyrimidine (CID 167349491) is 4,6-di(dibenzofuran-4-yl)-2-(2-phenylphenyl)pyrimidine.
What is the SMILES notation for 4,6-di(dibenzofuran-4-yl)-2-(2-phenylphenyl)pyrimidine?
The canonical SMILES for 4,6-di(dibenzofuran-4-yl)-2-(2-phenylphenyl)pyrimidine is c1ccc(-c2ccccc2-c2nc(-c3cccc4c3oc3ccccc34)cc(-c3cccc4c3oc3ccccc34)n2)cc1.
What is the InChIKey of 4,6-di(dibenzofuran-4-yl)-2-(2-phenylphenyl)pyrimidine?
The InChIKey is HMKMQAYQOYCYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24N2O2/c1-2-12-25(13-3-1)26-14-4-5-17-31(26)40-41-34(32-20-10-18-29-27-15-6-8-22-36(27)43-38(29)32)24-35(42-40)33-21-11-19-30-28-16-7-9-23-37(28)44-39(30)33/h1-24H.
What are the key properties of 4,6-di(dibenzofuran-4-yl)-2-(2-phenylphenyl)pyrimidine?
4,6-di(dibenzofuran-4-yl)-2-(2-phenylphenyl)pyrimidine has a molecular weight of 564.64 g/mol, XLogP of 10.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-di(dibenzofuran-4-yl)-2-(2-phenylphenyl)pyrimidine is sourced from PubChem (CID 167349491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).