4-dibenzofuran-2-yl-N-[4-[3-(9,9-dimethylfluoren-2-yl)-5-[3-methyl-4-(2-methylphenyl)phenyl]phenyl]phenyl]-N-phenylaniline

C65H49NO — CID 118919480

About 4-dibenzofuran-2-yl-N-[4-[3-(9,9-dimethylfluoren-2-yl)-5-[3-methyl-4-(2-methylphenyl)phenyl]phenyl]phenyl]-N-phenylaniline

4-dibenzofuran-2-yl-N-[4-[3-(9,9-dimethylfluoren-2-yl)-5-[3-methyl-4-(2-methylphenyl)phenyl]phenyl]phenyl]-N-phenylaniline (PubChem CID 118919480) has the molecular formula C65H49NO and a molecular weight of 860.11 g/mol. Its IUPAC name is 4-dibenzofuran-2-yl-N-[4-[3-(9,9-dimethylfluoren-2-yl)-5-[3-methyl-4-(2-methylphenyl)phenyl]phenyl]phenyl]-N-phenylaniline.

Molecular Properties

• Compound Name: 4-dibenzofuran-2-yl-N-[4-[3-(9,9-dimethylfluoren-2-yl)-5-[3-methyl-4-(2-methylphenyl)phenyl]phenyl]phenyl]-N-phenylaniline
• PubChem CID: 118919480
• Molecular Formula: C65H49NO
• Molecular Weight: 860.11 g/mol
• Exact Mass: 859.38
• IUPAC Name: 4-dibenzofuran-2-yl-N-[4-[3-(9,9-dimethylfluoren-2-yl)-5-[3-methyl-4-(2-methylphenyl)phenyl]phenyl]phenyl]-N-phenylaniline
• SMILES: Cc1ccccc1-c1ccc(-c2cc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)cc3)cc(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c2)cc1C
• InChI: InChI=1S/C65H49NO/c1-42-14-8-9-17-55(42)56-33-26-46(36-43(56)2)50-37-49(38-51(39-50)48-27-34-58-57-18-10-12-20-61(57)65(3,4)62(58)41-48)45-24-31-54(32-25-45)66(52-15-6-5-7-16-52)53-29-22-44(23-30-53)47-28-35-64-60(40-47)59-19-11-13-21-63(59)67-64/h5-41H,1-4H3
• InChIKey: WOJUULOYFMBMJY-UHFFFAOYSA-N
• XLogP: 18.31
• TPSA: 16.38 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	860.11
LogP ≤ 5	18.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 4-dibenzofuran-2-yl-N-[4-[3-(9,9-dimethylfluoren-2-yl)-5-[3-methyl-4-(2-methylphenyl)phenyl]phenyl]phenyl]-N-phenylaniline?

The IUPAC name of 4-dibenzofuran-2-yl-N-[4-[3-(9,9-dimethylfluoren-2-yl)-5-[3-methyl-4-(2-methylphenyl)phenyl]phenyl]phenyl]-N-phenylaniline (CID 118919480) is 4-dibenzofuran-2-yl-N-[4-[3-(9,9-dimethylfluoren-2-yl)-5-[3-methyl-4-(2-methylphenyl)phenyl]phenyl]phenyl]-N-phenylaniline.

What is the SMILES notation for 4-dibenzofuran-2-yl-N-[4-[3-(9,9-dimethylfluoren-2-yl)-5-[3-methyl-4-(2-methylphenyl)phenyl]phenyl]phenyl]-N-phenylaniline?

The canonical SMILES for 4-dibenzofuran-2-yl-N-[4-[3-(9,9-dimethylfluoren-2-yl)-5-[3-methyl-4-(2-methylphenyl)phenyl]phenyl]phenyl]-N-phenylaniline is Cc1ccccc1-c1ccc(-c2cc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)cc3)cc(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c2)cc1C.

What is the InChIKey of 4-dibenzofuran-2-yl-N-[4-[3-(9,9-dimethylfluoren-2-yl)-5-[3-methyl-4-(2-methylphenyl)phenyl]phenyl]phenyl]-N-phenylaniline?

The InChIKey is WOJUULOYFMBMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H49NO/c1-42-14-8-9-17-55(42)56-33-26-46(36-43(56)2)50-37-49(38-51(39-50)48-27-34-58-57-18-10-12-20-61(57)65(3,4)62(58)41-48)45-24-31-54(32-25-45)66(52-15-6-5-7-16-52)53-29-22-44(23-30-53)47-28-35-64-60(40-47)59-19-11-13-21-63(59)67-64/h5-41H,1-4H3.

What are the key properties of 4-dibenzofuran-2-yl-N-[4-[3-(9,9-dimethylfluoren-2-yl)-5-[3-methyl-4-(2-methylphenyl)phenyl]phenyl]phenyl]-N-phenylaniline?

4-dibenzofuran-2-yl-N-[4-[3-(9,9-dimethylfluoren-2-yl)-5-[3-methyl-4-(2-methylphenyl)phenyl]phenyl]phenyl]-N-phenylaniline has a molecular weight of 860.11 g/mol, XLogP of 18.31, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-dibenzofuran-2-yl-N-[4-[3-(9,9-dimethylfluoren-2-yl)-5-[3-methyl-4-(2-methylphenyl)phenyl]phenyl]phenyl]-N-phenylaniline is sourced from PubChem (CID 118919480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).