2-(9,9-dimethylfluoren-4-yl)-N-[3-(9-methyl-8,9-dihydrodibenzofuran-1-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline

C62H47NO — CID 170302273

About 2-(9,9-dimethylfluoren-4-yl)-N-[3-(9-methyl-8,9-dihydrodibenzofuran-1-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline

2-(9,9-dimethylfluoren-4-yl)-N-[3-(9-methyl-8,9-dihydrodibenzofuran-1-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline (PubChem CID 170302273) has the molecular formula C62H47NO and a molecular weight of 822.06 g/mol. Its IUPAC name is 2-(9,9-dimethylfluoren-4-yl)-N-[3-(9-methyl-8,9-dihydrodibenzofuran-1-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline.

Molecular Properties

• Compound Name: 2-(9,9-dimethylfluoren-4-yl)-N-[3-(9-methyl-8,9-dihydrodibenzofuran-1-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
• PubChem CID: 170302273
• Molecular Formula: C62H47NO
• Molecular Weight: 822.06 g/mol
• Exact Mass: 821.37
• IUPAC Name: 2-(9,9-dimethylfluoren-4-yl)-N-[3-(9-methyl-8,9-dihydrodibenzofuran-1-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
• SMILES: CC1CC=Cc2oc3cccc(-c4cccc(N(c5ccccc5-c5cccc6c5-c5ccccc5C6(C)C)c5ccccc5-c5cccc6cccc(-c7ccccc7)c56)c4)c3c21
• InChI: InChI=1S/C62H47NO/c1-40-19-13-37-56-58(40)61-46(30-18-38-57(61)64-56)43-24-14-25-44(39-43)63(55-36-12-9-27-48(55)50-32-17-34-53-60(50)51-28-7-10-33-52(51)62(53,2)3)54-35-11-8-26-47(54)49-31-16-23-42-22-15-29-45(59(42)49)41-20-5-4-6-21-41/h4-18,20-40H,19H2,1-3H3
• InChIKey: QUCQFYIXBCBLTL-UHFFFAOYSA-N
• XLogP: 17.55
• TPSA: 16.38 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	822.06
LogP ≤ 5	17.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-dimethylfluoren-4-yl)-N-[3-(9-methyl-8,9-dihydrodibenzofuran-1-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline?

The IUPAC name of 2-(9,9-dimethylfluoren-4-yl)-N-[3-(9-methyl-8,9-dihydrodibenzofuran-1-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline (CID 170302273) is 2-(9,9-dimethylfluoren-4-yl)-N-[3-(9-methyl-8,9-dihydrodibenzofuran-1-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline.

What is the SMILES notation for 2-(9,9-dimethylfluoren-4-yl)-N-[3-(9-methyl-8,9-dihydrodibenzofuran-1-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline?

The canonical SMILES for 2-(9,9-dimethylfluoren-4-yl)-N-[3-(9-methyl-8,9-dihydrodibenzofuran-1-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline is CC1CC=Cc2oc3cccc(-c4cccc(N(c5ccccc5-c5cccc6c5-c5ccccc5C6(C)C)c5ccccc5-c5cccc6cccc(-c7ccccc7)c56)c4)c3c21.

What is the InChIKey of 2-(9,9-dimethylfluoren-4-yl)-N-[3-(9-methyl-8,9-dihydrodibenzofuran-1-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline?

The InChIKey is QUCQFYIXBCBLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H47NO/c1-40-19-13-37-56-58(40)61-46(30-18-38-57(61)64-56)43-24-14-25-44(39-43)63(55-36-12-9-27-48(55)50-32-17-34-53-60(50)51-28-7-10-33-52(51)62(53,2)3)54-35-11-8-26-47(54)49-31-16-23-42-22-15-29-45(59(42)49)41-20-5-4-6-21-41/h4-18,20-40H,19H2,1-3H3.

What are the key properties of 2-(9,9-dimethylfluoren-4-yl)-N-[3-(9-methyl-8,9-dihydrodibenzofuran-1-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline?

2-(9,9-dimethylfluoren-4-yl)-N-[3-(9-methyl-8,9-dihydrodibenzofuran-1-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline has a molecular weight of 822.06 g/mol, XLogP of 17.55, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(9,9-dimethylfluoren-4-yl)-N-[3-(9-methyl-8,9-dihydrodibenzofuran-1-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline is sourced from PubChem (CID 170302273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).