4-[3-dibenzofuran-1-yl-5-(3-phenylphenyl)phenyl]-2-naphthalen-1-yl-6-phenylpyrimidine

C50H32N2O — CID 171583574

IUPAC4-[3-dibenzofuran-1-yl-5-(3-phenylphenyl)phenyl]-2-naphthalen-1-yl-6-phenylpyrimidine
SMILESc1ccc(-c2cccc(-c3cc(-c4cc(-c5ccccc5)nc(-c5cccc6ccccc56)n4)cc(-c4cccc5oc6ccccc6c45)c3)c2)cc1
InChIInChI=1S/C50H32N2O/c1-3-14-33(15-4-1)36-20-11-21-37(28-36)38-29-39(42-24-13-27-48-49(42)44-23-9-10-26-47(44)53-48)31-40(30-38)46-32-45(35-17-5-2-6-18-35)51-50(52-46)43-25-12-19-34-16-7-8-22-41(34)43/h1-32H
InChIKeySNNRMVWDANKAKI-UHFFFAOYSA-N
MW676.82 g/mol
LogP13.53
Rot. Bonds6

About 4-[3-dibenzofuran-1-yl-5-(3-phenylphenyl)phenyl]-2-naphthalen-1-yl-6-phenylpyrimidine

4-[3-dibenzofuran-1-yl-5-(3-phenylphenyl)phenyl]-2-naphthalen-1-yl-6-phenylpyrimidine (PubChem CID 171583574) has the molecular formula C50H32N2O and a molecular weight of 676.82 g/mol. Its IUPAC name is 4-[3-dibenzofuran-1-yl-5-(3-phenylphenyl)phenyl]-2-naphthalen-1-yl-6-phenylpyrimidine.

Molecular Properties

Compound Name4-[3-dibenzofuran-1-yl-5-(3-phenylphenyl)phenyl]-2-naphthalen-1-yl-6-phenylpyrimidine
PubChem CID171583574
Molecular FormulaC50H32N2O
Molecular Weight676.82 g/mol
Exact Mass676.25
IUPAC Name4-[3-dibenzofuran-1-yl-5-(3-phenylphenyl)phenyl]-2-naphthalen-1-yl-6-phenylpyrimidine
SMILESc1ccc(-c2cccc(-c3cc(-c4cc(-c5ccccc5)nc(-c5cccc6ccccc56)n4)cc(-c4cccc5oc6ccccc6c45)c3)c2)cc1
InChIInChI=1S/C50H32N2O/c1-3-14-33(15-4-1)36-20-11-21-37(28-36)38-29-39(42-24-13-27-48-49(42)44-23-9-10-26-47(44)53-48)31-40(30-38)46-32-45(35-17-5-2-6-18-35)51-50(52-46)43-25-12-19-34-16-7-8-22-41(34)43/h1-32H
InChIKeySNNRMVWDANKAKI-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-phenylphenyl)-6-naphthalen-1-yl-2-(3-phenylphenyl)pyrimidine
CID 171585490
4-(3-dibenzofuran-1-yl-5-phenylphenyl)-6-(4-naphthalen-1-ylphenyl)-2-phenylpyrimidine
CID 171583095
4-(3-dibenzofuran-1-yl-5-naphthalen-1-ylphenyl)-6-phenyl-2-(2-phenylphenyl)pyrimidine
CID 171584694
4-(3-dibenzofuran-1-yl-5-naphthalen-2-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 171584041
4-(4-dibenzofuran-1-ylphenyl)-2-(3-phenylphenyl)-6-(4-phenylphenyl)pyrimidine
CID 139304375
4-(3-dibenzofuran-3-yl-5-phenylphenyl)-2-naphthalen-1-yl-6-(3-phenylphenyl)pyrimidine
CID 171582533
2-(3-dibenzofuran-1-ylphenyl)-4-(5-naphthalen-1-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 168731767
4-(3-dibenzofuran-1-yl-5-phenylphenyl)-6-(9,9-dimethylfluoren-2-yl)-2-naphthalen-1-ylpyrimidine
CID 171583008
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-(3-dibenzofuran-2-yl-5-naphthalen-1-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 171583274
2-[3-(6-dibenzofuran-1-ylnaphthalen-2-yl)phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine
CID 171731191

Frequently Asked Questions

What is the IUPAC name of 4-[3-dibenzofuran-1-yl-5-(3-phenylphenyl)phenyl]-2-naphthalen-1-yl-6-phenylpyrimidine?
The IUPAC name of 4-[3-dibenzofuran-1-yl-5-(3-phenylphenyl)phenyl]-2-naphthalen-1-yl-6-phenylpyrimidine (CID 171583574) is 4-[3-dibenzofuran-1-yl-5-(3-phenylphenyl)phenyl]-2-naphthalen-1-yl-6-phenylpyrimidine.
What is the SMILES notation for 4-[3-dibenzofuran-1-yl-5-(3-phenylphenyl)phenyl]-2-naphthalen-1-yl-6-phenylpyrimidine?
The canonical SMILES for 4-[3-dibenzofuran-1-yl-5-(3-phenylphenyl)phenyl]-2-naphthalen-1-yl-6-phenylpyrimidine is c1ccc(-c2cccc(-c3cc(-c4cc(-c5ccccc5)nc(-c5cccc6ccccc56)n4)cc(-c4cccc5oc6ccccc6c45)c3)c2)cc1.
What is the InChIKey of 4-[3-dibenzofuran-1-yl-5-(3-phenylphenyl)phenyl]-2-naphthalen-1-yl-6-phenylpyrimidine?
The InChIKey is SNNRMVWDANKAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N2O/c1-3-14-33(15-4-1)36-20-11-21-37(28-36)38-29-39(42-24-13-27-48-49(42)44-23-9-10-26-47(44)53-48)31-40(30-38)46-32-45(35-17-5-2-6-18-35)51-50(52-46)43-25-12-19-34-16-7-8-22-41(34)43/h1-32H.
What are the key properties of 4-[3-dibenzofuran-1-yl-5-(3-phenylphenyl)phenyl]-2-naphthalen-1-yl-6-phenylpyrimidine?
4-[3-dibenzofuran-1-yl-5-(3-phenylphenyl)phenyl]-2-naphthalen-1-yl-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-1-yl-5-(3-phenylphenyl)phenyl]-2-naphthalen-1-yl-6-phenylpyrimidine is sourced from PubChem (CID 171583574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).