2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)aniline

C64H51N — CID 170303669

About 2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)aniline

2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)aniline (PubChem CID 170303669) has the molecular formula C64H51N and a molecular weight of 834.12 g/mol. Its IUPAC name is 2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)aniline.

Molecular Properties

• Compound Name: 2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)aniline
• PubChem CID: 170303669
• Molecular Formula: C64H51N
• Molecular Weight: 834.12 g/mol
• Exact Mass: 833.40
• IUPAC Name: 2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)aniline
• SMILES: CC1(c2ccccc2)c2ccccc2-c2ccc(-c3ccc(N(c4cccc(-c5cccc6ccccc56)c4)c4ccccc4-c4cccc5cccc(C6CCCCC6)c45)cc3)cc21
• InChI: InChI=1S/C64H51N/c1-64(50-25-6-3-7-26-50)60-34-12-10-29-56(60)57-41-38-48(43-61(57)64)44-36-39-51(40-37-44)65(52-27-14-24-49(42-52)54-31-15-21-45-20-8-9-28-53(45)54)62-35-13-11-30-58(62)59-33-17-23-47-22-16-32-55(63(47)59)46-18-4-2-5-19-46/h3,6-17,20-43,46H,2,4-5,18-19H2,1H3
• InChIKey: MFPBDFPGQUYQPX-UHFFFAOYSA-N
• XLogP: 17.85
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 8
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	834.12
LogP ≤ 5	17.85
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-methyl-9-phenylfluoren-2-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)aniline?

The IUPAC name of 2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)aniline (CID 170303669) is 2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)aniline.

What is the SMILES notation for 2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)aniline?

The canonical SMILES for 2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)aniline is CC1(c2ccccc2)c2ccccc2-c2ccc(-c3ccc(N(c4cccc(-c5cccc6ccccc56)c4)c4ccccc4-c4cccc5cccc(C6CCCCC6)c45)cc3)cc21.

What is the InChIKey of 2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)aniline?

The InChIKey is MFPBDFPGQUYQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H51N/c1-64(50-25-6-3-7-26-50)60-34-12-10-29-56(60)57-41-38-48(43-61(57)64)44-36-39-51(40-37-44)65(52-27-14-24-49(42-52)54-31-15-21-45-20-8-9-28-53(45)54)62-35-13-11-30-58(62)59-33-17-23-47-22-16-32-55(63(47)59)46-18-4-2-5-19-46/h3,6-17,20-43,46H,2,4-5,18-19H2,1H3.

What are the key properties of 2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)aniline?

2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)aniline has a molecular weight of 834.12 g/mol, XLogP of 17.85, 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-methyl-9-phenylfluoren-2-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)aniline is sourced from PubChem (CID 170303669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).