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

C50H32N2O — CID 171584041

IUPAC4-(3-dibenzofuran-1-yl-5-naphthalen-2-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
SMILESc1ccc(-c2ccc(-c3cc(-c4cc(-c5ccc6ccccc6c5)cc(-c5cccc6oc7ccccc7c56)c4)nc(-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C50H32N2O/c1-3-12-33(13-4-1)35-22-25-36(26-23-35)45-32-46(52-50(51-45)37-15-5-2-6-16-37)42-30-40(39-27-24-34-14-7-8-17-38(34)28-39)29-41(31-42)43-19-11-21-48-49(43)44-18-9-10-20-47(44)53-48/h1-32H
InChIKeyRXOBCWFZDIQGCG-UHFFFAOYSA-N
MW676.82 g/mol
LogP13.53
Rot. Bonds6

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

4-(3-dibenzofuran-1-yl-5-naphthalen-2-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine (PubChem CID 171584041) has the molecular formula C50H32N2O and a molecular weight of 676.82 g/mol. Its IUPAC name is 4-(3-dibenzofuran-1-yl-5-naphthalen-2-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine.

Molecular Properties

Compound Name4-(3-dibenzofuran-1-yl-5-naphthalen-2-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
PubChem CID171584041
Molecular FormulaC50H32N2O
Molecular Weight676.82 g/mol
Exact Mass676.25
IUPAC Name4-(3-dibenzofuran-1-yl-5-naphthalen-2-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
SMILESc1ccc(-c2ccc(-c3cc(-c4cc(-c5ccc6ccccc6c5)cc(-c5cccc6oc7ccccc7c56)c4)nc(-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C50H32N2O/c1-3-12-33(13-4-1)35-22-25-36(26-23-35)45-32-46(52-50(51-45)37-15-5-2-6-16-37)42-30-40(39-27-24-34-14-7-8-17-38(34)28-39)29-41(31-42)43-19-11-21-48-49(43)44-18-9-10-20-47(44)53-48/h1-32H
InChIKeyRXOBCWFZDIQGCG-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

2-(3-dibenzofuran-1-ylphenyl)-4-(6-naphthalen-2-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazine
CID 170016833
4-(3-dibenzofuran-1-yl-5-phenylphenyl)-6-(4-naphthalen-1-ylphenyl)-2-phenylpyrimidine
CID 171583095
2-dibenzofuran-1-yl-4-(4-naphthalen-2-ylphenyl)-6-[9-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166741628
4-(3-dibenzofuran-1-ylphenyl)-2-(4-dibenzofuran-1-ylphenyl)-6-(3-phenylphenyl)pyrimidine
CID 139304968
4-(3-dibenzofuran-1-ylphenyl)-6-(4-dibenzofuran-1-ylphenyl)-2-(4-phenylphenyl)pyrimidine
CID 139304966
4-(4-dibenzofuran-1-ylphenyl)-2-(3-phenylphenyl)-6-(4-phenylphenyl)pyrimidine
CID 139304375
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
4-(3-dibenzofuran-1-yl-5-phenylphenyl)-6-naphthalen-1-yl-2-(3-phenylphenyl)pyrimidine
CID 171585490
4-[3-dibenzofuran-1-yl-5-(3-phenylphenyl)phenyl]-2-naphthalen-1-yl-6-phenylpyrimidine
CID 171583574
4-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 121460855
2-(4-dibenzofuran-1-ylphenyl)-4-phenyl-6-(4-phenylphenyl)pyrimidine
CID 139304376

Frequently Asked Questions

What is the IUPAC name of 4-(3-dibenzofuran-1-yl-5-naphthalen-2-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine?
The IUPAC name of 4-(3-dibenzofuran-1-yl-5-naphthalen-2-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine (CID 171584041) is 4-(3-dibenzofuran-1-yl-5-naphthalen-2-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine.
What is the SMILES notation for 4-(3-dibenzofuran-1-yl-5-naphthalen-2-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine?
The canonical SMILES for 4-(3-dibenzofuran-1-yl-5-naphthalen-2-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine is c1ccc(-c2ccc(-c3cc(-c4cc(-c5ccc6ccccc6c5)cc(-c5cccc6oc7ccccc7c56)c4)nc(-c4ccccc4)n3)cc2)cc1.
What is the InChIKey of 4-(3-dibenzofuran-1-yl-5-naphthalen-2-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine?
The InChIKey is RXOBCWFZDIQGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N2O/c1-3-12-33(13-4-1)35-22-25-36(26-23-35)45-32-46(52-50(51-45)37-15-5-2-6-16-37)42-30-40(39-27-24-34-14-7-8-17-38(34)28-39)29-41(31-42)43-19-11-21-48-49(43)44-18-9-10-20-47(44)53-48/h1-32H.
What are the key properties of 4-(3-dibenzofuran-1-yl-5-naphthalen-2-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine?
4-(3-dibenzofuran-1-yl-5-naphthalen-2-ylphenyl)-2-phenyl-6-(4-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-naphthalen-2-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine is sourced from PubChem (CID 171584041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).