2-chloro-4-(3-dibenzofuran-4-ylphenyl)-6-phenylpyrimidine

C28H17ClN2O — CID 146489037

IUPAC2-chloro-4-(3-dibenzofuran-4-ylphenyl)-6-phenylpyrimidine
SMILESClc1nc(-c2ccccc2)cc(-c2cccc(-c3cccc4c3oc3ccccc34)c2)n1
InChIInChI=1S/C28H17ClN2O/c29-28-30-24(18-8-2-1-3-9-18)17-25(31-28)20-11-6-10-19(16-20)21-13-7-14-23-22-12-4-5-15-26(22)32-27(21)23/h1-17H
InChIKeyGYAVQWCKZLBAHB-UHFFFAOYSA-N
MW432.91 g/mol
LogP8.03
Rot. Bonds3

About 2-chloro-4-(3-dibenzofuran-4-ylphenyl)-6-phenylpyrimidine

2-chloro-4-(3-dibenzofuran-4-ylphenyl)-6-phenylpyrimidine (PubChem CID 146489037) has the molecular formula C28H17ClN2O and a molecular weight of 432.91 g/mol. Its IUPAC name is 2-chloro-4-(3-dibenzofuran-4-ylphenyl)-6-phenylpyrimidine.

Molecular Properties

Compound Name2-chloro-4-(3-dibenzofuran-4-ylphenyl)-6-phenylpyrimidine
PubChem CID146489037
Molecular FormulaC28H17ClN2O
Molecular Weight432.91 g/mol
Exact Mass432.10
IUPAC Name2-chloro-4-(3-dibenzofuran-4-ylphenyl)-6-phenylpyrimidine
SMILESClc1nc(-c2ccccc2)cc(-c2cccc(-c3cccc4c3oc3ccccc34)c2)n1
InChIInChI=1S/C28H17ClN2O/c29-28-30-24(18-8-2-1-3-9-18)17-25(31-28)20-11-6-10-19(16-20)21-13-7-14-23-22-12-4-5-15-26(22)32-27(21)23/h1-17H
InChIKeyGYAVQWCKZLBAHB-UHFFFAOYSA-N
XLogP8.03
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.91
LogP ≤ 58.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-dibenzofuran-4-yl-5-(2-dibenzofuran-4-ylphenyl)phenyl]-2,6-diphenylpyrimidine
CID 171583012
2-dibenzofuran-4-yl-4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-phenylphenyl)pyrimidine
CID 130465872
2,4-bis(3-dibenzofuran-4-yl-5-phenylphenyl)-6-phenylpyrimidine
CID 171585319
4-[3-dibenzofuran-4-yl-5-(3-phenylphenyl)phenyl]-6-phenyl-2-(2-phenylphenyl)pyrimidine
CID 171585380
4-(3-dibenzofuran-4-ylphenyl)-2-naphthalen-1-yl-6-(4-phenylphenyl)pyrimidine
CID 130465782
2-(4-dibenzofuran-4-ylphenyl)-4,6-diphenylpyrimidine
CID 134271754
2-[3-[3-[6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 154613834
4-(3-dibenzofuran-4-ylphenyl)-2-naphthalen-2-yl-6-(4-phenylphenyl)pyrimidine
CID 130465796
2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-phenyl-6-(3-pyrimidin-2-ylphenyl)pyrimidine
CID 130262741
4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-2-[3-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]pyrimidine
CID 158511636
4-[3-dibenzofuran-4-yl-5-(3-phenylphenyl)phenyl]-2-phenyl-6-(2-phenylphenyl)pyrimidine
CID 171584631
4-(3-dibenzofuran-2-ylphenyl)-6-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidine;4-(3-dibenzofuran-2-ylphenyl)-6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidine;4-(3-dibenzofuran-4-ylphenyl)-6-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidine;4-(3-dibenzofuran-4-ylphenyl)-6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidine
CID 158944867

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(3-dibenzofuran-4-ylphenyl)-6-phenylpyrimidine?
The IUPAC name of 2-chloro-4-(3-dibenzofuran-4-ylphenyl)-6-phenylpyrimidine (CID 146489037) is 2-chloro-4-(3-dibenzofuran-4-ylphenyl)-6-phenylpyrimidine.
What is the SMILES notation for 2-chloro-4-(3-dibenzofuran-4-ylphenyl)-6-phenylpyrimidine?
The canonical SMILES for 2-chloro-4-(3-dibenzofuran-4-ylphenyl)-6-phenylpyrimidine is Clc1nc(-c2ccccc2)cc(-c2cccc(-c3cccc4c3oc3ccccc34)c2)n1.
What is the InChIKey of 2-chloro-4-(3-dibenzofuran-4-ylphenyl)-6-phenylpyrimidine?
The InChIKey is GYAVQWCKZLBAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H17ClN2O/c29-28-30-24(18-8-2-1-3-9-18)17-25(31-28)20-11-6-10-19(16-20)21-13-7-14-23-22-12-4-5-15-26(22)32-27(21)23/h1-17H.
What are the key properties of 2-chloro-4-(3-dibenzofuran-4-ylphenyl)-6-phenylpyrimidine?
2-chloro-4-(3-dibenzofuran-4-ylphenyl)-6-phenylpyrimidine has a molecular weight of 432.91 g/mol, XLogP of 8.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(3-dibenzofuran-4-ylphenyl)-6-phenylpyrimidine is sourced from PubChem (CID 146489037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).