4-dibenzofuran-2-yl-6-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]-2-phenylpyrimidine

C53H36N2O — CID 168777430

About 4-dibenzofuran-2-yl-6-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]-2-phenylpyrimidine

4-dibenzofuran-2-yl-6-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]-2-phenylpyrimidine (PubChem CID 168777430) has the molecular formula C53H36N2O and a molecular weight of 716.88 g/mol. Its IUPAC name is 4-dibenzofuran-2-yl-6-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]-2-phenylpyrimidine.

Molecular Properties

• Compound Name: 4-dibenzofuran-2-yl-6-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]-2-phenylpyrimidine
• PubChem CID: 168777430
• Molecular Formula: C53H36N2O
• Molecular Weight: 716.88 g/mol
• Exact Mass: 716.28
• IUPAC Name: 4-dibenzofuran-2-yl-6-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]-2-phenylpyrimidine
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3cccc(-c4ccc(-c5cc(-c6ccc7oc8ccccc8c7c6)nc(-c6ccccc6)n5)c5ccccc45)c3)cc21
• InChI: InChI=1S/C53H36N2O/c1-53(2)46-21-10-8-19-41(46)42-25-23-35(31-47(42)53)34-15-12-16-36(29-34)38-26-27-43(40-18-7-6-17-39(38)40)49-32-48(54-52(55-49)33-13-4-3-5-14-33)37-24-28-51-45(30-37)44-20-9-11-22-50(44)56-51/h3-32H,1-2H3
• InChIKey: OZOVOVDXQCCOAF-UHFFFAOYSA-N
• XLogP: 14.17
• TPSA: 38.92 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	716.88
LogP ≤ 5	14.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 4-dibenzofuran-2-yl-6-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]-2-phenylpyrimidine?

The IUPAC name of 4-dibenzofuran-2-yl-6-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]-2-phenylpyrimidine (CID 168777430) is 4-dibenzofuran-2-yl-6-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]-2-phenylpyrimidine.

What is the SMILES notation for 4-dibenzofuran-2-yl-6-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]-2-phenylpyrimidine?

The canonical SMILES for 4-dibenzofuran-2-yl-6-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]-2-phenylpyrimidine is CC1(C)c2ccccc2-c2ccc(-c3cccc(-c4ccc(-c5cc(-c6ccc7oc8ccccc8c7c6)nc(-c6ccccc6)n5)c5ccccc45)c3)cc21.

What is the InChIKey of 4-dibenzofuran-2-yl-6-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]-2-phenylpyrimidine?

The InChIKey is OZOVOVDXQCCOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H36N2O/c1-53(2)46-21-10-8-19-41(46)42-25-23-35(31-47(42)53)34-15-12-16-36(29-34)38-26-27-43(40-18-7-6-17-39(38)40)49-32-48(54-52(55-49)33-13-4-3-5-14-33)37-24-28-51-45(30-37)44-20-9-11-22-50(44)56-51/h3-32H,1-2H3.

What are the key properties of 4-dibenzofuran-2-yl-6-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]-2-phenylpyrimidine?

4-dibenzofuran-2-yl-6-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]-2-phenylpyrimidine has a molecular weight of 716.88 g/mol, XLogP of 14.17, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-dibenzofuran-2-yl-6-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]-2-phenylpyrimidine is sourced from PubChem (CID 168777430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).