4-[3-dibenzofuran-4-yl-5-(3-phenylphenyl)phenyl]-6-phenyl-2-(2-phenylphenyl)pyrimidine

C52H34N2O — CID 171585380

IUPAC4-[3-dibenzofuran-4-yl-5-(3-phenylphenyl)phenyl]-6-phenyl-2-(2-phenylphenyl)pyrimidine
SMILESc1ccc(-c2cccc(-c3cc(-c4cc(-c5ccccc5)nc(-c5ccccc5-c5ccccc5)n4)cc(-c4cccc5c4oc4ccccc45)c3)c2)cc1
InChIInChI=1S/C52H34N2O/c1-4-16-35(17-5-1)38-22-14-23-39(30-38)40-31-41(44-27-15-28-46-45-25-12-13-29-50(45)55-51(44)46)33-42(32-40)49-34-48(37-20-8-3-9-21-37)53-52(54-49)47-26-11-10-24-43(47)36-18-6-2-7-19-36/h1-34H
InChIKeyMGTRBYWOKWKOTI-UHFFFAOYSA-N
MW702.86 g/mol
LogP14.05
Rot. Bonds7

About 4-[3-dibenzofuran-4-yl-5-(3-phenylphenyl)phenyl]-6-phenyl-2-(2-phenylphenyl)pyrimidine

4-[3-dibenzofuran-4-yl-5-(3-phenylphenyl)phenyl]-6-phenyl-2-(2-phenylphenyl)pyrimidine (PubChem CID 171585380) has the molecular formula C52H34N2O and a molecular weight of 702.86 g/mol. Its IUPAC name is 4-[3-dibenzofuran-4-yl-5-(3-phenylphenyl)phenyl]-6-phenyl-2-(2-phenylphenyl)pyrimidine.

Molecular Properties

Compound Name4-[3-dibenzofuran-4-yl-5-(3-phenylphenyl)phenyl]-6-phenyl-2-(2-phenylphenyl)pyrimidine
PubChem CID171585380
Molecular FormulaC52H34N2O
Molecular Weight702.86 g/mol
Exact Mass702.27
IUPAC Name4-[3-dibenzofuran-4-yl-5-(3-phenylphenyl)phenyl]-6-phenyl-2-(2-phenylphenyl)pyrimidine
SMILESc1ccc(-c2cccc(-c3cc(-c4cc(-c5ccccc5)nc(-c5ccccc5-c5ccccc5)n4)cc(-c4cccc5c4oc4ccccc45)c3)c2)cc1
InChIInChI=1S/C52H34N2O/c1-4-16-35(17-5-1)38-22-14-23-39(30-38)40-31-41(44-27-15-28-46-45-25-12-13-29-50(45)55-51(44)46)33-42(32-40)49-34-48(37-20-8-3-9-21-37)53-52(54-49)47-26-11-10-24-43(47)36-18-6-2-7-19-36/h1-34H
InChIKeyMGTRBYWOKWKOTI-UHFFFAOYSA-N
XLogP14.05
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.86
LogP ≤ 514.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-dibenzofuran-4-yl-4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-phenylphenyl)pyrimidine
CID 130465872
4-[3-dibenzofuran-4-yl-5-(3-phenylphenyl)phenyl]-2-phenyl-6-(2-phenylphenyl)pyrimidine
CID 171584631
2,4-bis(3-dibenzofuran-4-yl-5-phenylphenyl)-6-phenylpyrimidine
CID 171585319
2-dibenzofuran-4-yl-4-(3,5-dinaphthalen-2-ylphenyl)-6-(4-phenylphenyl)pyrimidine
CID 130465875
4-[3-dibenzofuran-4-yl-5-(2-dibenzofuran-4-ylphenyl)phenyl]-2,6-diphenylpyrimidine
CID 171583012
4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 161324987
4-(3-dibenzofuran-2-yl-5-dibenzofuran-4-ylphenyl)-2-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidine
CID 160752497
4-(3-dibenzofuran-4-yl-5-phenylphenyl)-2-phenyl-6-(4-phenylnaphthalen-1-yl)pyrimidine
CID 171585257
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
4-(4-dibenzofuran-1-ylphenyl)-6-(3-dibenzofuran-4-yl-5-phenylphenyl)-2-phenylpyrimidine
CID 171583737
4-(3-dibenzofuran-4-yl-5-naphthalen-2-ylphenyl)-6-phenyl-2-(3-phenylphenyl)pyrimidine
CID 171583506
4-(3-dibenzofuran-4-yl-5-naphthalen-2-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 171583085

Frequently Asked Questions

What is the IUPAC name of 4-[3-dibenzofuran-4-yl-5-(3-phenylphenyl)phenyl]-6-phenyl-2-(2-phenylphenyl)pyrimidine?
The IUPAC name of 4-[3-dibenzofuran-4-yl-5-(3-phenylphenyl)phenyl]-6-phenyl-2-(2-phenylphenyl)pyrimidine (CID 171585380) is 4-[3-dibenzofuran-4-yl-5-(3-phenylphenyl)phenyl]-6-phenyl-2-(2-phenylphenyl)pyrimidine.
What is the SMILES notation for 4-[3-dibenzofuran-4-yl-5-(3-phenylphenyl)phenyl]-6-phenyl-2-(2-phenylphenyl)pyrimidine?
The canonical SMILES for 4-[3-dibenzofuran-4-yl-5-(3-phenylphenyl)phenyl]-6-phenyl-2-(2-phenylphenyl)pyrimidine is c1ccc(-c2cccc(-c3cc(-c4cc(-c5ccccc5)nc(-c5ccccc5-c5ccccc5)n4)cc(-c4cccc5c4oc4ccccc45)c3)c2)cc1.
What is the InChIKey of 4-[3-dibenzofuran-4-yl-5-(3-phenylphenyl)phenyl]-6-phenyl-2-(2-phenylphenyl)pyrimidine?
The InChIKey is MGTRBYWOKWKOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N2O/c1-4-16-35(17-5-1)38-22-14-23-39(30-38)40-31-41(44-27-15-28-46-45-25-12-13-29-50(45)55-51(44)46)33-42(32-40)49-34-48(37-20-8-3-9-21-37)53-52(54-49)47-26-11-10-24-43(47)36-18-6-2-7-19-36/h1-34H.
What are the key properties of 4-[3-dibenzofuran-4-yl-5-(3-phenylphenyl)phenyl]-6-phenyl-2-(2-phenylphenyl)pyrimidine?
4-[3-dibenzofuran-4-yl-5-(3-phenylphenyl)phenyl]-6-phenyl-2-(2-phenylphenyl)pyrimidine has a molecular weight of 702.86 g/mol, XLogP of 14.05, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-dibenzofuran-4-yl-5-(3-phenylphenyl)phenyl]-6-phenyl-2-(2-phenylphenyl)pyrimidine is sourced from PubChem (CID 171585380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).