N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-1-amine

C55H39NO — CID 170302488

About N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-1-amine

N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-1-amine (PubChem CID 170302488) has the molecular formula C55H39NO and a molecular weight of 729.92 g/mol. Its IUPAC name is N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-1-amine.

Molecular Properties

• Compound Name: N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-1-amine
• PubChem CID: 170302488
• Molecular Formula: C55H39NO
• Molecular Weight: 729.92 g/mol
• Exact Mass: 729.30
• IUPAC Name: N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-1-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3ccccc3N(c3ccccc3-c3cccc4cccc(-c5ccccc5)c34)c3cccc4oc5ccccc5c34)cc21
• InChI: InChI=1S/C55H39NO/c1-55(2)46-27-10-6-22-41(46)42-34-33-38(35-47(42)55)39-21-7-11-28-48(39)56(50-30-16-32-52-54(50)45-24-9-13-31-51(45)57-52)49-29-12-8-23-43(49)44-26-15-20-37-19-14-25-40(53(37)44)36-17-4-3-5-18-36/h3-35H,1-2H3
• InChIKey: ITFWHPZVIXFMCS-UHFFFAOYSA-N
• XLogP: 15.52
• TPSA: 16.38 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	729.92
LogP ≤ 5	15.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-1-amine?

The IUPAC name of N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-1-amine (CID 170302488) is N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-1-amine.

What is the SMILES notation for N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-1-amine?

The canonical SMILES for N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-1-amine is CC1(C)c2ccccc2-c2ccc(-c3ccccc3N(c3ccccc3-c3cccc4cccc(-c5ccccc5)c34)c3cccc4oc5ccccc5c34)cc21.

What is the InChIKey of N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-1-amine?

The InChIKey is ITFWHPZVIXFMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H39NO/c1-55(2)46-27-10-6-22-41(46)42-34-33-38(35-47(42)55)39-21-7-11-28-48(39)56(50-30-16-32-52-54(50)45-24-9-13-31-51(45)57-52)49-29-12-8-23-43(49)44-26-15-20-37-19-14-25-40(53(37)44)36-17-4-3-5-18-36/h3-35H,1-2H3.

What are the key properties of N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-1-amine?

N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-1-amine has a molecular weight of 729.92 g/mol, XLogP of 15.52, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-1-amine is sourced from PubChem (CID 170302488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).