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

C50H32N2O — CID 171584875

IUPAC4-(3-dibenzofuran-3-yl-5-phenylphenyl)-2-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidine
SMILESc1ccc(-c2cc(-c3ccc4c(c3)oc3ccccc34)cc(-c3cc(-c4ccccc4)nc(-c4ccc(-c5cccc6ccccc56)cc4)n3)c2)cc1
InChIInChI=1S/C50H32N2O/c1-3-12-33(13-4-1)39-28-40(38-26-27-45-44-19-9-10-21-48(44)53-49(45)31-38)30-41(29-39)47-32-46(36-15-5-2-6-16-36)51-50(52-47)37-24-22-35(23-25-37)43-20-11-17-34-14-7-8-18-42(34)43/h1-32H
InChIKeyBIPFCGQTUQAYSR-UHFFFAOYSA-N
MW676.82 g/mol
LogP13.53
Rot. Bonds6

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

4-(3-dibenzofuran-3-yl-5-phenylphenyl)-2-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidine (PubChem CID 171584875) has the molecular formula C50H32N2O and a molecular weight of 676.82 g/mol. Its IUPAC name is 4-(3-dibenzofuran-3-yl-5-phenylphenyl)-2-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidine.

Molecular Properties

Compound Name4-(3-dibenzofuran-3-yl-5-phenylphenyl)-2-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidine
PubChem CID171584875
Molecular FormulaC50H32N2O
Molecular Weight676.82 g/mol
Exact Mass676.25
IUPAC Name4-(3-dibenzofuran-3-yl-5-phenylphenyl)-2-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidine
SMILESc1ccc(-c2cc(-c3ccc4c(c3)oc3ccccc34)cc(-c3cc(-c4ccccc4)nc(-c4ccc(-c5cccc6ccccc56)cc4)n3)c2)cc1
InChIInChI=1S/C50H32N2O/c1-3-12-33(13-4-1)39-28-40(38-26-27-45-44-19-9-10-21-48(44)53-49(45)31-38)30-41(29-39)47-32-46(36-15-5-2-6-16-36)51-50(52-47)37-24-22-35(23-25-37)43-20-11-17-34-14-7-8-18-42(34)43/h1-32H
InChIKeyBIPFCGQTUQAYSR-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-3-yl-5-(2-naphthalen-1-ylphenyl)phenyl]-2,6-diphenylpyrimidine
CID 171583522
4-[3-dibenzofuran-2-yl-5-(3-naphthalen-1-ylphenyl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 171583329
2-[3-(3-dibenzofuran-3-ylphenyl)phenyl]-4,6-diphenylpyridine;2-[3-(3-naphthalen-1-ylphenyl)phenyl]-4-phenyl-6-(4-phenylphenyl)pyrimidine;4-(3-phenanthren-9-ylphenyl)-2,6-diphenylpyrimidine
CID 157458923
4-(3-dibenzofuran-3-yl-5-naphthalen-1-ylphenyl)-2-naphthalen-2-yl-6-phenylpyrimidine
CID 171584547
4-(3-dibenzofuran-2-yl-5-naphthalen-1-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 171583274
4-(3-dibenzofuran-3-yl-5-phenylphenyl)-2-naphthalen-1-yl-6-(3-phenylphenyl)pyrimidine
CID 171582533
4-(3-dibenzofuran-3-yl-5-naphthalen-1-ylphenyl)-6-naphthalen-2-yl-2-phenylpyrimidine
CID 171584084
2-[3-[3-[2-dibenzofuran-3-yl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4,6-dinaphthalen-1-yl-1,3,5-triazine
CID 154613651
2-dibenzofuran-3-yl-4-(4-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 163496167
4-(3-dibenzofuran-1-yl-5-phenylphenyl)-6-(4-naphthalen-1-ylphenyl)-2-phenylpyrimidine
CID 171583095
2-[3-[3-(6-dibenzofuran-3-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-4,6-dinaphthalen-1-yl-1,3,5-triazine
CID 154613821
4-(3-dibenzofuran-3-yl-5-phenylphenyl)-2-(3,5-diphenylphenyl)-6-phenylpyrimidine
CID 171583122

Frequently Asked Questions

What is the IUPAC name of 4-(3-dibenzofuran-3-yl-5-phenylphenyl)-2-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidine?
The IUPAC name of 4-(3-dibenzofuran-3-yl-5-phenylphenyl)-2-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidine (CID 171584875) is 4-(3-dibenzofuran-3-yl-5-phenylphenyl)-2-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidine.
What is the SMILES notation for 4-(3-dibenzofuran-3-yl-5-phenylphenyl)-2-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidine?
The canonical SMILES for 4-(3-dibenzofuran-3-yl-5-phenylphenyl)-2-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidine is c1ccc(-c2cc(-c3ccc4c(c3)oc3ccccc34)cc(-c3cc(-c4ccccc4)nc(-c4ccc(-c5cccc6ccccc56)cc4)n3)c2)cc1.
What is the InChIKey of 4-(3-dibenzofuran-3-yl-5-phenylphenyl)-2-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidine?
The InChIKey is BIPFCGQTUQAYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N2O/c1-3-12-33(13-4-1)39-28-40(38-26-27-45-44-19-9-10-21-48(44)53-49(45)31-38)30-41(29-39)47-32-46(36-15-5-2-6-16-36)51-50(52-47)37-24-22-35(23-25-37)43-20-11-17-34-14-7-8-18-42(34)43/h1-32H.
What are the key properties of 4-(3-dibenzofuran-3-yl-5-phenylphenyl)-2-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidine?
4-(3-dibenzofuran-3-yl-5-phenylphenyl)-2-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidine 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-3-yl-5-phenylphenyl)-2-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidine is sourced from PubChem (CID 171584875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).