N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-(9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-1-ylphenyl)aniline

C59H49N — CID 170303741

About N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-(9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-1-ylphenyl)aniline

N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-(9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-1-ylphenyl)aniline (PubChem CID 170303741) has the molecular formula C59H49N and a molecular weight of 772.05 g/mol. Its IUPAC name is N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-(9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-1-ylphenyl)aniline.

Molecular Properties

• Compound Name: N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-(9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-1-ylphenyl)aniline
• PubChem CID: 170303741
• Molecular Formula: C59H49N
• Molecular Weight: 772.05 g/mol
• Exact Mass: 771.39
• IUPAC Name: N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-(9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-1-ylphenyl)aniline
• SMILES: CC1(C)c2ccccc2-c2c(-c3ccccc3N(c3ccc(-c4cccc5ccccc45)cc3)c3ccccc3-c3cccc4cccc(C5CCCCC5)c34)cccc21
• InChI: InChI=1S/C59H49N/c1-59(2)53-32-11-8-27-52(53)58-51(31-17-33-54(58)59)49-26-10-13-35-56(49)60(44-38-36-42(37-39-44)46-28-14-21-40-20-6-7-24-45(40)46)55-34-12-9-25-48(55)50-30-16-23-43-22-15-29-47(57(43)50)41-18-4-3-5-19-41/h6-17,20-39,41H,3-5,18-19H2,1-2H3
• InChIKey: HFWIZFBXGNOAEB-UHFFFAOYSA-N
• XLogP: 16.82
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 7
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	772.05
LogP ≤ 5	16.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-(9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-1-ylphenyl)aniline?

The IUPAC name of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-(9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-1-ylphenyl)aniline (CID 170303741) is N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-(9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-1-ylphenyl)aniline.

What is the SMILES notation for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-(9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-1-ylphenyl)aniline?

The canonical SMILES for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-(9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-1-ylphenyl)aniline is CC1(C)c2ccccc2-c2c(-c3ccccc3N(c3ccc(-c4cccc5ccccc45)cc3)c3ccccc3-c3cccc4cccc(C5CCCCC5)c34)cccc21.

What is the InChIKey of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-(9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-1-ylphenyl)aniline?

The InChIKey is HFWIZFBXGNOAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H49N/c1-59(2)53-32-11-8-27-52(53)58-51(31-17-33-54(58)59)49-26-10-13-35-56(49)60(44-38-36-42(37-39-44)46-28-14-21-40-20-6-7-24-45(40)46)55-34-12-9-25-48(55)50-30-16-23-43-22-15-29-47(57(43)50)41-18-4-3-5-19-41/h6-17,20-39,41H,3-5,18-19H2,1-2H3.

What are the key properties of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-(9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-1-ylphenyl)aniline?

N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-(9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-1-ylphenyl)aniline has a molecular weight of 772.05 g/mol, XLogP of 16.82, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-(9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-1-ylphenyl)aniline is sourced from PubChem (CID 170303741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).