N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(6-dibenzofuran-3-yl-6-methylcyclohexa-2,4-dien-1-yl)-2-(9,9-dimethylfluoren-2-yl)aniline

C62H53NO — CID 170302739

About N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(6-dibenzofuran-3-yl-6-methylcyclohexa-2,4-dien-1-yl)-2-(9,9-dimethylfluoren-2-yl)aniline

N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(6-dibenzofuran-3-yl-6-methylcyclohexa-2,4-dien-1-yl)-2-(9,9-dimethylfluoren-2-yl)aniline (PubChem CID 170302739) has the molecular formula C62H53NO and a molecular weight of 828.11 g/mol. Its IUPAC name is N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(6-dibenzofuran-3-yl-6-methylcyclohexa-2,4-dien-1-yl)-2-(9,9-dimethylfluoren-2-yl)aniline.

Molecular Properties

• Compound Name: N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(6-dibenzofuran-3-yl-6-methylcyclohexa-2,4-dien-1-yl)-2-(9,9-dimethylfluoren-2-yl)aniline
• PubChem CID: 170302739
• Molecular Formula: C62H53NO
• Molecular Weight: 828.11 g/mol
• Exact Mass: 827.41
• IUPAC Name: N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(6-dibenzofuran-3-yl-6-methylcyclohexa-2,4-dien-1-yl)-2-(9,9-dimethylfluoren-2-yl)aniline
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3ccccc3N(c3ccccc3-c3cccc4cccc(C5CCCCC5)c34)C3C=CC=CC3(C)c3ccc4c(c3)oc3ccccc34)cc21
• InChI: InChI=1S/C62H53NO/c1-61(2)53-29-11-7-24-47(53)48-36-34-43(39-54(48)61)45-23-8-12-30-55(45)63(59-33-15-16-38-62(59,3)44-35-37-51-50-26-10-14-32-57(50)64-58(51)40-44)56-31-13-9-25-49(56)52-28-18-22-42-21-17-27-46(60(42)52)41-19-5-4-6-20-41/h7-18,21-41,59H,4-6,19-20H2,1-3H3
• InChIKey: OQWDVPGVEGNBNF-UHFFFAOYSA-N
• XLogP: 17.02
• 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	828.11
LogP ≤ 5	17.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(6-dibenzofuran-3-yl-6-methylcyclohexa-2,4-dien-1-yl)-2-(9,9-dimethylfluoren-2-yl)aniline?

The IUPAC name of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(6-dibenzofuran-3-yl-6-methylcyclohexa-2,4-dien-1-yl)-2-(9,9-dimethylfluoren-2-yl)aniline (CID 170302739) is N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(6-dibenzofuran-3-yl-6-methylcyclohexa-2,4-dien-1-yl)-2-(9,9-dimethylfluoren-2-yl)aniline.

What is the SMILES notation for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(6-dibenzofuran-3-yl-6-methylcyclohexa-2,4-dien-1-yl)-2-(9,9-dimethylfluoren-2-yl)aniline?

The canonical SMILES for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(6-dibenzofuran-3-yl-6-methylcyclohexa-2,4-dien-1-yl)-2-(9,9-dimethylfluoren-2-yl)aniline is CC1(C)c2ccccc2-c2ccc(-c3ccccc3N(c3ccccc3-c3cccc4cccc(C5CCCCC5)c34)C3C=CC=CC3(C)c3ccc4c(c3)oc3ccccc34)cc21.

What is the InChIKey of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(6-dibenzofuran-3-yl-6-methylcyclohexa-2,4-dien-1-yl)-2-(9,9-dimethylfluoren-2-yl)aniline?

The InChIKey is OQWDVPGVEGNBNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H53NO/c1-61(2)53-29-11-7-24-47(53)48-36-34-43(39-54(48)61)45-23-8-12-30-55(45)63(59-33-15-16-38-62(59,3)44-35-37-51-50-26-10-14-32-57(50)64-58(51)40-44)56-31-13-9-25-49(56)52-28-18-22-42-21-17-27-46(60(42)52)41-19-5-4-6-20-41/h7-18,21-41,59H,4-6,19-20H2,1-3H3.

What are the key properties of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(6-dibenzofuran-3-yl-6-methylcyclohexa-2,4-dien-1-yl)-2-(9,9-dimethylfluoren-2-yl)aniline?

N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(6-dibenzofuran-3-yl-6-methylcyclohexa-2,4-dien-1-yl)-2-(9,9-dimethylfluoren-2-yl)aniline has a molecular weight of 828.11 g/mol, XLogP of 17.02, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(6-dibenzofuran-3-yl-6-methylcyclohexa-2,4-dien-1-yl)-2-(9,9-dimethylfluoren-2-yl)aniline is sourced from PubChem (CID 170302739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).