4-(3-dibenzofuran-2-yl-5-naphthalen-2-ylphenyl)-6-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine

C59H40N2O — CID 171582676

About 4-(3-dibenzofuran-2-yl-5-naphthalen-2-ylphenyl)-6-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine

4-(3-dibenzofuran-2-yl-5-naphthalen-2-ylphenyl)-6-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine (PubChem CID 171582676) has the molecular formula C59H40N2O and a molecular weight of 792.98 g/mol. Its IUPAC name is 4-(3-dibenzofuran-2-yl-5-naphthalen-2-ylphenyl)-6-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine.

Molecular Properties

• Compound Name: 4-(3-dibenzofuran-2-yl-5-naphthalen-2-ylphenyl)-6-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine
• PubChem CID: 171582676
• Molecular Formula: C59H40N2O
• Molecular Weight: 792.98 g/mol
• Exact Mass: 792.31
• IUPAC Name: 4-(3-dibenzofuran-2-yl-5-naphthalen-2-ylphenyl)-6-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3cccc(-c4cc(-c5cc(-c6ccc7ccccc7c6)cc(-c6ccc7oc8ccccc8c7c6)c5)nc(-c5ccccc5)n4)c3)cc21
• InChI: InChI=1S/C59H40N2O/c1-59(2)52-21-10-8-19-48(52)49-27-25-43(35-53(49)59)40-17-12-18-44(30-40)54-36-55(61-58(60-54)38-14-4-3-5-15-38)47-32-45(41-24-23-37-13-6-7-16-39(37)29-41)31-46(33-47)42-26-28-57-51(34-42)50-20-9-11-22-56(50)62-57/h3-36H,1-2H3
• InChIKey: CSIWCQNAJOKXAC-UHFFFAOYSA-N
• XLogP: 15.84
• TPSA: 38.92 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	792.98
LogP ≤ 5	15.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 4-(3-dibenzofuran-2-yl-5-naphthalen-2-ylphenyl)-6-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine?

The IUPAC name of 4-(3-dibenzofuran-2-yl-5-naphthalen-2-ylphenyl)-6-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine (CID 171582676) is 4-(3-dibenzofuran-2-yl-5-naphthalen-2-ylphenyl)-6-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine.

What is the SMILES notation for 4-(3-dibenzofuran-2-yl-5-naphthalen-2-ylphenyl)-6-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine?

The canonical SMILES for 4-(3-dibenzofuran-2-yl-5-naphthalen-2-ylphenyl)-6-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine is CC1(C)c2ccccc2-c2ccc(-c3cccc(-c4cc(-c5cc(-c6ccc7ccccc7c6)cc(-c6ccc7oc8ccccc8c7c6)c5)nc(-c5ccccc5)n4)c3)cc21.

What is the InChIKey of 4-(3-dibenzofuran-2-yl-5-naphthalen-2-ylphenyl)-6-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine?

The InChIKey is CSIWCQNAJOKXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H40N2O/c1-59(2)52-21-10-8-19-48(52)49-27-25-43(35-53(49)59)40-17-12-18-44(30-40)54-36-55(61-58(60-54)38-14-4-3-5-15-38)47-32-45(41-24-23-37-13-6-7-16-39(37)29-41)31-46(33-47)42-26-28-57-51(34-42)50-20-9-11-22-56(50)62-57/h3-36H,1-2H3.

What are the key properties of 4-(3-dibenzofuran-2-yl-5-naphthalen-2-ylphenyl)-6-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine?

4-(3-dibenzofuran-2-yl-5-naphthalen-2-ylphenyl)-6-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine has a molecular weight of 792.98 g/mol, XLogP of 15.84, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3-dibenzofuran-2-yl-5-naphthalen-2-ylphenyl)-6-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine is sourced from PubChem (CID 171582676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).