2-[3-(4-dibenzofuran-2-ylphenyl)-4-methylphenyl]-4,6-diphenylpyrimidine

C41H28N2O — CID 174327712

IUPAC2-[3-(4-dibenzofuran-2-ylphenyl)-4-methylphenyl]-4,6-diphenylpyrimidine
SMILESCc1ccc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1-c1ccc(-c2ccc3oc4ccccc4c3c2)cc1
InChIInChI=1S/C41H28N2O/c1-27-16-17-33(41-42-37(30-10-4-2-5-11-30)26-38(43-41)31-12-6-3-7-13-31)25-35(27)29-20-18-28(19-21-29)32-22-23-40-36(24-32)34-14-8-9-15-39(34)44-40/h2-26H,1H3
InChIKeySHNMEEXWFGCNDV-UHFFFAOYSA-N
MW564.69 g/mol
LogP11.02
Rot. Bonds5

About 2-[3-(4-dibenzofuran-2-ylphenyl)-4-methylphenyl]-4,6-diphenylpyrimidine

2-[3-(4-dibenzofuran-2-ylphenyl)-4-methylphenyl]-4,6-diphenylpyrimidine (PubChem CID 174327712) has the molecular formula C41H28N2O and a molecular weight of 564.69 g/mol. Its IUPAC name is 2-[3-(4-dibenzofuran-2-ylphenyl)-4-methylphenyl]-4,6-diphenylpyrimidine.

Molecular Properties

Compound Name2-[3-(4-dibenzofuran-2-ylphenyl)-4-methylphenyl]-4,6-diphenylpyrimidine
PubChem CID174327712
Molecular FormulaC41H28N2O
Molecular Weight564.69 g/mol
Exact Mass564.22
IUPAC Name2-[3-(4-dibenzofuran-2-ylphenyl)-4-methylphenyl]-4,6-diphenylpyrimidine
SMILESCc1ccc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1-c1ccc(-c2ccc3oc4ccccc4c3c2)cc1
InChIInChI=1S/C41H28N2O/c1-27-16-17-33(41-42-37(30-10-4-2-5-11-30)26-38(43-41)31-12-6-3-7-13-31)25-35(27)29-20-18-28(19-21-29)32-22-23-40-36(24-32)34-14-8-9-15-39(34)44-40/h2-26H,1H3
InChIKeySHNMEEXWFGCNDV-UHFFFAOYSA-N
XLogP11.02
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.69
LogP ≤ 511.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-5-dibenzofuran-2-ylphenyl]-2,6-bis(4-phenylphenyl)pyrimidine
CID 153316082
4-(4-dibenzofuran-1-ylphenyl)-6-(4-dibenzofuran-2-ylphenyl)-2-phenylpyrimidine
CID 121460844
2-dibenzofuran-2-yl-4,6-bis(3,5-diphenylphenyl)pyrimidine
CID 153316090
4-(3-dibenzofuran-2-ylphenyl)-6-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-[3-(3-phenylphenyl)phenyl]pyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-[3-(4-phenylphenyl)phenyl]pyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidine
CID 160871906
4,6-diphenyl-2-[1-(8-phenyldibenzofuran-3-yl)dibenzofuran-3-yl]pyrimidine
CID 162775240
4-[3-[3-(3-dibenzofuran-2-yl-2,5-diphenylphenyl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 177079224
4-[3-[3-(3-dibenzofuran-2-yl-2,5-diphenylphenyl)phenyl]phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 177079279
4-dibenzofuran-2-yl-2,6-bis(3,5-diphenylphenyl)pyridine;2-[3-(4-dibenzofuran-2-ylphenyl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-4,6-diphenylpyrimidine;4-[3-(4-dibenzofuran-2-ylphenyl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,6-diphenylpyrimidine
CID 159186789
4-dibenzofuran-2-yl-6-dibenzofuran-3-yl-2-[3-(3-phenylphenyl)phenyl]pyrimidine
CID 169280081
4,6-bis(4-dibenzofuran-3-ylphenyl)-2-phenylpyrimidine;4,6-bis(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidine;4-(4-dibenzofuran-2-ylphenyl)-6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidine;2,4,6-tris(4-dibenzofuran-4-ylphenyl)pyrimidine
CID 162075982
4-(4-dibenzofuran-2-ylphenyl)-6-phenyl-2-(4-pyridin-2-ylphenyl)pyrimidine
CID 130262632
4-[3-dibenzofuran-2-yl-5-(3-naphthalen-1-ylphenyl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 171583329

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-dibenzofuran-2-ylphenyl)-4-methylphenyl]-4,6-diphenylpyrimidine?
The IUPAC name of 2-[3-(4-dibenzofuran-2-ylphenyl)-4-methylphenyl]-4,6-diphenylpyrimidine (CID 174327712) is 2-[3-(4-dibenzofuran-2-ylphenyl)-4-methylphenyl]-4,6-diphenylpyrimidine.
What is the SMILES notation for 2-[3-(4-dibenzofuran-2-ylphenyl)-4-methylphenyl]-4,6-diphenylpyrimidine?
The canonical SMILES for 2-[3-(4-dibenzofuran-2-ylphenyl)-4-methylphenyl]-4,6-diphenylpyrimidine is Cc1ccc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1-c1ccc(-c2ccc3oc4ccccc4c3c2)cc1.
What is the InChIKey of 2-[3-(4-dibenzofuran-2-ylphenyl)-4-methylphenyl]-4,6-diphenylpyrimidine?
The InChIKey is SHNMEEXWFGCNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H28N2O/c1-27-16-17-33(41-42-37(30-10-4-2-5-11-30)26-38(43-41)31-12-6-3-7-13-31)25-35(27)29-20-18-28(19-21-29)32-22-23-40-36(24-32)34-14-8-9-15-39(34)44-40/h2-26H,1H3.
What are the key properties of 2-[3-(4-dibenzofuran-2-ylphenyl)-4-methylphenyl]-4,6-diphenylpyrimidine?
2-[3-(4-dibenzofuran-2-ylphenyl)-4-methylphenyl]-4,6-diphenylpyrimidine has a molecular weight of 564.69 g/mol, XLogP of 11.02, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-dibenzofuran-2-ylphenyl)-4-methylphenyl]-4,6-diphenylpyrimidine is sourced from PubChem (CID 174327712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).