4-(3-dibenzofuran-2-yl-5-phenylphenyl)-6-naphthalen-1-yl-2-(3-phenylphenyl)pyrimidine

C50H32N2O — CID 171583764

IUPAC4-(3-dibenzofuran-2-yl-5-phenylphenyl)-6-naphthalen-1-yl-2-(3-phenylphenyl)pyrimidine
SMILESc1ccc(-c2cc(-c3ccc4oc5ccccc5c4c3)cc(-c3cc(-c4cccc5ccccc45)nc(-c4cccc(-c5ccccc5)c4)n3)c2)cc1
InChIInChI=1S/C50H32N2O/c1-3-13-33(14-4-1)36-19-11-20-38(27-36)50-51-46(32-47(52-50)43-23-12-18-35-17-7-8-21-42(35)43)41-29-39(34-15-5-2-6-16-34)28-40(30-41)37-25-26-49-45(31-37)44-22-9-10-24-48(44)53-49/h1-32H
InChIKeyWQAGCQJBIWAAPK-UHFFFAOYSA-N
MW676.82 g/mol
LogP13.53
Rot. Bonds6

About 4-(3-dibenzofuran-2-yl-5-phenylphenyl)-6-naphthalen-1-yl-2-(3-phenylphenyl)pyrimidine

4-(3-dibenzofuran-2-yl-5-phenylphenyl)-6-naphthalen-1-yl-2-(3-phenylphenyl)pyrimidine (PubChem CID 171583764) has the molecular formula C50H32N2O and a molecular weight of 676.82 g/mol. Its IUPAC name is 4-(3-dibenzofuran-2-yl-5-phenylphenyl)-6-naphthalen-1-yl-2-(3-phenylphenyl)pyrimidine.

Molecular Properties

Compound Name4-(3-dibenzofuran-2-yl-5-phenylphenyl)-6-naphthalen-1-yl-2-(3-phenylphenyl)pyrimidine
PubChem CID171583764
Molecular FormulaC50H32N2O
Molecular Weight676.82 g/mol
Exact Mass676.25
IUPAC Name4-(3-dibenzofuran-2-yl-5-phenylphenyl)-6-naphthalen-1-yl-2-(3-phenylphenyl)pyrimidine
SMILESc1ccc(-c2cc(-c3ccc4oc5ccccc5c4c3)cc(-c3cc(-c4cccc5ccccc45)nc(-c4cccc(-c5ccccc5)c4)n3)c2)cc1
InChIInChI=1S/C50H32N2O/c1-3-13-33(14-4-1)36-19-11-20-38(27-36)50-51-46(32-47(52-50)43-23-12-18-35-17-7-8-21-42(35)43)41-29-39(34-15-5-2-6-16-34)28-40(30-41)37-25-26-49-45(31-37)44-22-9-10-24-48(44)53-49/h1-32H
InChIKeyWQAGCQJBIWAAPK-UHFFFAOYSA-N
XLogP13.53
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.82
LogP ≤ 513.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-dibenzofuran-2-yl-5-(3-naphthalen-1-ylphenyl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 171583329
4-(3-dibenzofuran-2-yl-5-naphthalen-1-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 171583274
2-[2,5-di(dibenzofuran-2-yl)phenyl]-4-naphthalen-1-yl-6-phenylpyrimidine
CID 123288806
4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-naphthalen-1-yl-2-(3-pyridin-3-ylphenyl)pyrimidine
CID 130261906
4-(3-dibenzofuran-2-yl-5-naphthalen-2-ylphenyl)-6-(3-naphthalen-1-ylphenyl)-2-phenylpyrimidine
CID 171584011
2-dibenzofuran-2-yl-4,6-bis(3,5-diphenylphenyl)pyrimidine
CID 153316090
4-(3-dibenzofuran-1-yl-5-phenylphenyl)-6-naphthalen-1-yl-2-(3-phenylphenyl)pyrimidine
CID 171585490
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-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-5-dibenzofuran-2-ylphenyl]-2,6-bis(4-phenylphenyl)pyrimidine
CID 153316082
4,6-bis[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidine;4,6-bis[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidine;4-(4-dibenzofuran-4-ylphenyl)-6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidine;2-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-4-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidine
CID 159701721
4-[3-dibenzofuran-2-yl-5-(2-phenanthren-3-ylphenyl)phenyl]-2,6-diphenylpyrimidine
CID 171583028
4-(3-dibenzofuran-3-yl-5-phenylphenyl)-2-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidine
CID 171584875

Frequently Asked Questions

What is the IUPAC name of 4-(3-dibenzofuran-2-yl-5-phenylphenyl)-6-naphthalen-1-yl-2-(3-phenylphenyl)pyrimidine?
The IUPAC name of 4-(3-dibenzofuran-2-yl-5-phenylphenyl)-6-naphthalen-1-yl-2-(3-phenylphenyl)pyrimidine (CID 171583764) is 4-(3-dibenzofuran-2-yl-5-phenylphenyl)-6-naphthalen-1-yl-2-(3-phenylphenyl)pyrimidine.
What is the SMILES notation for 4-(3-dibenzofuran-2-yl-5-phenylphenyl)-6-naphthalen-1-yl-2-(3-phenylphenyl)pyrimidine?
The canonical SMILES for 4-(3-dibenzofuran-2-yl-5-phenylphenyl)-6-naphthalen-1-yl-2-(3-phenylphenyl)pyrimidine is c1ccc(-c2cc(-c3ccc4oc5ccccc5c4c3)cc(-c3cc(-c4cccc5ccccc45)nc(-c4cccc(-c5ccccc5)c4)n3)c2)cc1.
What is the InChIKey of 4-(3-dibenzofuran-2-yl-5-phenylphenyl)-6-naphthalen-1-yl-2-(3-phenylphenyl)pyrimidine?
The InChIKey is WQAGCQJBIWAAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N2O/c1-3-13-33(14-4-1)36-19-11-20-38(27-36)50-51-46(32-47(52-50)43-23-12-18-35-17-7-8-21-42(35)43)41-29-39(34-15-5-2-6-16-34)28-40(30-41)37-25-26-49-45(31-37)44-22-9-10-24-48(44)53-49/h1-32H.
What are the key properties of 4-(3-dibenzofuran-2-yl-5-phenylphenyl)-6-naphthalen-1-yl-2-(3-phenylphenyl)pyrimidine?
4-(3-dibenzofuran-2-yl-5-phenylphenyl)-6-naphthalen-1-yl-2-(3-phenylphenyl)pyrimidine has a molecular weight of 676.82 g/mol, XLogP of 13.53, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-dibenzofuran-2-yl-5-phenylphenyl)-6-naphthalen-1-yl-2-(3-phenylphenyl)pyrimidine is sourced from PubChem (CID 171583764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).