2-dibenzofuran-1-yl-4-methyl-6-(3-phenylphenyl)pyrimidine

C29H20N2O — CID 153093289

IUPAC2-dibenzofuran-1-yl-4-methyl-6-(3-phenylphenyl)pyrimidine
SMILESCc1cc(-c2cccc(-c3ccccc3)c2)nc(-c2cccc3oc4ccccc4c23)n1
InChIInChI=1S/C29H20N2O/c1-19-17-25(22-12-7-11-21(18-22)20-9-3-2-4-10-20)31-29(30-19)24-14-8-16-27-28(24)23-13-5-6-15-26(23)32-27/h2-18H,1H3
InChIKeyVPOYWRRAFWNPCF-UHFFFAOYSA-N
MW412.49 g/mol
LogP7.69
Rot. Bonds3

About 2-dibenzofuran-1-yl-4-methyl-6-(3-phenylphenyl)pyrimidine

2-dibenzofuran-1-yl-4-methyl-6-(3-phenylphenyl)pyrimidine (PubChem CID 153093289) has the molecular formula C29H20N2O and a molecular weight of 412.49 g/mol. Its IUPAC name is 2-dibenzofuran-1-yl-4-methyl-6-(3-phenylphenyl)pyrimidine.

Molecular Properties

Compound Name2-dibenzofuran-1-yl-4-methyl-6-(3-phenylphenyl)pyrimidine
PubChem CID153093289
Molecular FormulaC29H20N2O
Molecular Weight412.49 g/mol
Exact Mass412.16
IUPAC Name2-dibenzofuran-1-yl-4-methyl-6-(3-phenylphenyl)pyrimidine
SMILESCc1cc(-c2cccc(-c3ccccc3)c2)nc(-c2cccc3oc4ccccc4c23)n1
InChIInChI=1S/C29H20N2O/c1-19-17-25(22-12-7-11-21(18-22)20-9-3-2-4-10-20)31-29(30-19)24-14-8-16-27-28(24)23-13-5-6-15-26(23)32-27/h2-18H,1H3
InChIKeyVPOYWRRAFWNPCF-UHFFFAOYSA-N
XLogP7.69
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.49
LogP ≤ 57.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-dibenzofuran-1-yl-4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 171607729
4-(3-dibenzofuran-1-ylphenyl)-2-(4-dibenzofuran-1-ylphenyl)-6-(3-phenylphenyl)pyrimidine
CID 139304968
2-dibenzofuran-1-yl-4-dibenzofuran-3-yl-6-(4-phenylphenyl)pyrimidine
CID 139304383
2-dibenzofuran-1-yl-4-(6-phenylnaphthalen-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 162504507
4-(4-dibenzofuran-1-ylphenyl)-2-(3-phenylphenyl)-6-(4-phenylphenyl)pyrimidine
CID 139304375
2-dibenzofuran-4-yl-4-methyl-6-phenylpyrimidine
CID 153287816
2-dibenzofuran-1-yl-4-dibenzofuran-2-yl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 165036845
[4-[3-[3-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]phenyl]-trimethylsilane
CID 176645544
2-dibenzofuran-1-yl-4-[4-(3-dibenzofuran-3-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 163779888
2-dibenzofuran-1-yl-4-(3-naphthalen-2-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 170927804
2-dibenzofuran-1-yl-4-[3-(4-dibenzofuran-3-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 163687766
2-dibenzofuran-1-yl-4-[4-[4-(3-dibenzofuran-2-ylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 163767247

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-1-yl-4-methyl-6-(3-phenylphenyl)pyrimidine?
The IUPAC name of 2-dibenzofuran-1-yl-4-methyl-6-(3-phenylphenyl)pyrimidine (CID 153093289) is 2-dibenzofuran-1-yl-4-methyl-6-(3-phenylphenyl)pyrimidine.
What is the SMILES notation for 2-dibenzofuran-1-yl-4-methyl-6-(3-phenylphenyl)pyrimidine?
The canonical SMILES for 2-dibenzofuran-1-yl-4-methyl-6-(3-phenylphenyl)pyrimidine is Cc1cc(-c2cccc(-c3ccccc3)c2)nc(-c2cccc3oc4ccccc4c23)n1.
What is the InChIKey of 2-dibenzofuran-1-yl-4-methyl-6-(3-phenylphenyl)pyrimidine?
The InChIKey is VPOYWRRAFWNPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20N2O/c1-19-17-25(22-12-7-11-21(18-22)20-9-3-2-4-10-20)31-29(30-19)24-14-8-16-27-28(24)23-13-5-6-15-26(23)32-27/h2-18H,1H3.
What are the key properties of 2-dibenzofuran-1-yl-4-methyl-6-(3-phenylphenyl)pyrimidine?
2-dibenzofuran-1-yl-4-methyl-6-(3-phenylphenyl)pyrimidine has a molecular weight of 412.49 g/mol, XLogP of 7.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-1-yl-4-methyl-6-(3-phenylphenyl)pyrimidine is sourced from PubChem (CID 153093289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).