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

C50H32N2O — CID 171585490

IUPAC4-(3-dibenzofuran-1-yl-5-phenylphenyl)-6-naphthalen-1-yl-2-(3-phenylphenyl)pyrimidine
SMILESc1ccc(-c2cccc(-c3nc(-c4cc(-c5ccccc5)cc(-c5cccc6oc7ccccc7c56)c4)cc(-c4cccc5ccccc45)n3)c2)cc1
InChIInChI=1S/C50H32N2O/c1-3-14-33(15-4-1)36-20-11-21-37(28-36)50-51-45(32-46(52-50)43-25-12-19-35-18-7-8-22-41(35)43)40-30-38(34-16-5-2-6-17-34)29-39(31-40)42-24-13-27-48-49(42)44-23-9-10-26-47(44)53-48/h1-32H
InChIKeyUFDBNLNIKIVXHA-UHFFFAOYSA-N
MW676.82 g/mol
LogP13.53
Rot. Bonds6

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

4-(3-dibenzofuran-1-yl-5-phenylphenyl)-6-naphthalen-1-yl-2-(3-phenylphenyl)pyrimidine (PubChem CID 171585490) has the molecular formula C50H32N2O and a molecular weight of 676.82 g/mol. Its IUPAC name is 4-(3-dibenzofuran-1-yl-5-phenylphenyl)-6-naphthalen-1-yl-2-(3-phenylphenyl)pyrimidine.

Molecular Properties

Compound Name4-(3-dibenzofuran-1-yl-5-phenylphenyl)-6-naphthalen-1-yl-2-(3-phenylphenyl)pyrimidine
PubChem CID171585490
Molecular FormulaC50H32N2O
Molecular Weight676.82 g/mol
Exact Mass676.25
IUPAC Name4-(3-dibenzofuran-1-yl-5-phenylphenyl)-6-naphthalen-1-yl-2-(3-phenylphenyl)pyrimidine
SMILESc1ccc(-c2cccc(-c3nc(-c4cc(-c5ccccc5)cc(-c5cccc6oc7ccccc7c56)c4)cc(-c4cccc5ccccc45)n3)c2)cc1
InChIInChI=1S/C50H32N2O/c1-3-14-33(15-4-1)36-20-11-21-37(28-36)50-51-45(32-46(52-50)43-25-12-19-35-18-7-8-22-41(35)43)40-30-38(34-16-5-2-6-17-34)29-39(31-40)42-24-13-27-48-49(42)44-23-9-10-26-47(44)53-48/h1-32H
InChIKeyUFDBNLNIKIVXHA-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-1-yl-5-(3-phenylphenyl)phenyl]-2-naphthalen-1-yl-6-phenylpyrimidine
CID 171583574
4-(3-dibenzofuran-1-yl-5-phenylphenyl)-6-(4-naphthalen-1-ylphenyl)-2-phenylpyrimidine
CID 171583095
4-(3-dibenzofuran-2-yl-5-phenylphenyl)-6-naphthalen-1-yl-2-(3-phenylphenyl)pyrimidine
CID 171583764
4-(3-dibenzofuran-1-yl-5-naphthalen-2-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 171584041
4-(3-dibenzofuran-1-ylphenyl)-2-(4-dibenzofuran-1-ylphenyl)-6-(3-phenylphenyl)pyrimidine
CID 139304968
4-(4-dibenzofuran-1-ylphenyl)-2-(3-phenylphenyl)-6-(4-phenylphenyl)pyrimidine
CID 139304375
4-(3-dibenzofuran-1-yl-5-naphthalen-1-ylphenyl)-6-phenyl-2-(2-phenylphenyl)pyrimidine
CID 171584694
2,4-bis(3-dibenzofuran-1-ylphenyl)-6-(2-phenylphenyl)pyrimidine;4-(3-dibenzofuran-1-ylphenyl)-2-(4-dibenzofuran-1-ylphenyl)-6-(3-phenylphenyl)pyrimidine;4-(3-dibenzofuran-1-ylphenyl)-6-(4-dibenzofuran-1-ylphenyl)-2-(4-phenylphenyl)pyrimidine;4-(3-dibenzofuran-1-ylphenyl)-2-(4-dibenzofuran-1-ylphenyl)-6-phenylpyrimidine
CID 157238960
4-(3-dibenzofuran-1-ylphenyl)-6-(4-dibenzofuran-1-ylphenyl)-2-(4-phenylphenyl)pyrimidine
CID 139304966
4-(3-dibenzofuran-2-yl-5-naphthalen-1-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 171583274
2-(3-dibenzofuran-1-ylphenyl)-4-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 139303458
1-[3,5-bis(3-phenylphenyl)phenyl]dibenzofuran
CID 154618828

Frequently Asked Questions

What is the IUPAC name of 4-(3-dibenzofuran-1-yl-5-phenylphenyl)-6-naphthalen-1-yl-2-(3-phenylphenyl)pyrimidine?
The IUPAC name of 4-(3-dibenzofuran-1-yl-5-phenylphenyl)-6-naphthalen-1-yl-2-(3-phenylphenyl)pyrimidine (CID 171585490) is 4-(3-dibenzofuran-1-yl-5-phenylphenyl)-6-naphthalen-1-yl-2-(3-phenylphenyl)pyrimidine.
What is the SMILES notation for 4-(3-dibenzofuran-1-yl-5-phenylphenyl)-6-naphthalen-1-yl-2-(3-phenylphenyl)pyrimidine?
The canonical SMILES for 4-(3-dibenzofuran-1-yl-5-phenylphenyl)-6-naphthalen-1-yl-2-(3-phenylphenyl)pyrimidine is c1ccc(-c2cccc(-c3nc(-c4cc(-c5ccccc5)cc(-c5cccc6oc7ccccc7c56)c4)cc(-c4cccc5ccccc45)n3)c2)cc1.
What is the InChIKey of 4-(3-dibenzofuran-1-yl-5-phenylphenyl)-6-naphthalen-1-yl-2-(3-phenylphenyl)pyrimidine?
The InChIKey is UFDBNLNIKIVXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N2O/c1-3-14-33(15-4-1)36-20-11-21-37(28-36)50-51-45(32-46(52-50)43-25-12-19-35-18-7-8-22-41(35)43)40-30-38(34-16-5-2-6-17-34)29-39(31-40)42-24-13-27-48-49(42)44-23-9-10-26-47(44)53-48/h1-32H.
What are the key properties of 4-(3-dibenzofuran-1-yl-5-phenylphenyl)-6-naphthalen-1-yl-2-(3-phenylphenyl)pyrimidine?
4-(3-dibenzofuran-1-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-1-yl-5-phenylphenyl)-6-naphthalen-1-yl-2-(3-phenylphenyl)pyrimidine is sourced from PubChem (CID 171585490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).