N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline

C78H65N — CID 170303578

About N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline

N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline (PubChem CID 170303578) has the molecular formula C78H65N and a molecular weight of 1016.38 g/mol. Its IUPAC name is N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline.

Molecular Properties

• Compound Name: N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
• PubChem CID: 170303578
• Molecular Formula: C78H65N
• Molecular Weight: 1016.38 g/mol
• Exact Mass: 1015.51
• IUPAC Name: N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
• SMILES: CC(C)(C)c1cc(-c2cccc3cccc(-c4ccccc4N(c4ccc(-c5ccc6c(c5)C(C)(c5ccccc5)c5ccccc5-6)cc4)c4ccccc4-c4cccc5cccc(-c6ccccc6)c45)c23)cc(C(C)(C)C)c1
• InChI: InChI=1S/C78H65N/c1-76(2,3)59-48-57(49-60(51-59)77(4,5)6)63-36-21-27-55-29-23-38-69(75(55)63)67-34-16-19-41-73(67)79(72-40-18-15-33-66(72)68-37-22-28-54-26-20-35-62(74(54)68)53-24-10-8-11-25-53)61-45-42-52(43-46-61)56-44-47-65-64-32-14-17-39-70(64)78(7,71(65)50-56)58-30-12-9-13-31-58/h8-51H,1-7H3
• InChIKey: CZBCMKMBUVBITG-UHFFFAOYSA-N
• XLogP: 21.73
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 9
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1016.38
LogP ≤ 5	21.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline?

The IUPAC name of N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline (CID 170303578) is N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline.

What is the SMILES notation for N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline?

The canonical SMILES for N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline is CC(C)(C)c1cc(-c2cccc3cccc(-c4ccccc4N(c4ccc(-c5ccc6c(c5)C(C)(c5ccccc5)c5ccccc5-6)cc4)c4ccccc4-c4cccc5cccc(-c6ccccc6)c45)c23)cc(C(C)(C)C)c1.

What is the InChIKey of N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline?

The InChIKey is CZBCMKMBUVBITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H65N/c1-76(2,3)59-48-57(49-60(51-59)77(4,5)6)63-36-21-27-55-29-23-38-69(75(55)63)67-34-16-19-41-73(67)79(72-40-18-15-33-66(72)68-37-22-28-54-26-20-35-62(74(54)68)53-24-10-8-11-25-53)61-45-42-52(43-46-61)56-44-47-65-64-32-14-17-39-70(64)78(7,71(65)50-56)58-30-12-9-13-31-58/h8-51H,1-7H3.

What are the key properties of N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline?

N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline has a molecular weight of 1016.38 g/mol, XLogP of 21.73, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline is sourced from PubChem (CID 170303578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).