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

C65H53N — CID 170303625

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

2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline (PubChem CID 170303625) has the molecular formula C65H53N and a molecular weight of 848.15 g/mol. Its IUPAC name is 2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline.

Molecular Properties

• Compound Name: 2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
• PubChem CID: 170303625
• Molecular Formula: C65H53N
• Molecular Weight: 848.15 g/mol
• Exact Mass: 847.42
• IUPAC Name: 2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6cccc7ccccc67)cc5)cc4)c4ccccc4-c4cccc5cccc(C6CCCCC6)c45)cc3)cc21
• InChI: InChI=1S/C65H53N/c1-65(2)61-27-10-8-22-57(61)58-42-37-51(43-62(58)65)46-35-40-53(41-36-46)66(52-38-33-45(34-39-52)44-29-31-49(32-30-44)55-24-12-18-47-17-6-7-21-54(47)55)63-28-11-9-23-59(63)60-26-14-20-50-19-13-25-56(64(50)60)48-15-4-3-5-16-48/h6-14,17-43,48H,3-5,15-16H2,1-2H3
• InChIKey: MFXJRNNSUYEKCS-UHFFFAOYSA-N
• XLogP: 18.48
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 8
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	848.15
LogP ≤ 5	18.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

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

The IUPAC name of 2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline (CID 170303625) is 2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline.

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

The canonical SMILES for 2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline is CC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6cccc7ccccc67)cc5)cc4)c4ccccc4-c4cccc5cccc(C6CCCCC6)c45)cc3)cc21.

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

The InChIKey is MFXJRNNSUYEKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H53N/c1-65(2)61-27-10-8-22-57(61)58-42-37-51(43-62(58)65)46-35-40-53(41-36-46)66(52-38-33-45(34-39-52)44-29-31-49(32-30-44)55-24-12-18-47-17-6-7-21-54(47)55)63-28-11-9-23-59(63)60-26-14-20-50-19-13-25-56(64(50)60)48-15-4-3-5-16-48/h6-14,17-43,48H,3-5,15-16H2,1-2H3.

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

2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline has a molecular weight of 848.15 g/mol, XLogP of 18.48, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline is sourced from PubChem (CID 170303625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).