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

C85H69N — CID 170293847

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

2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-[4-(3,4-diphenylphenyl)phenyl]aniline (PubChem CID 170293847) has the molecular formula C85H69N and a molecular weight of 1104.49 g/mol. Its IUPAC name is 2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-[4-(3,4-diphenylphenyl)phenyl]aniline.

Molecular Properties

• Compound Name: 2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-[4-(3,4-diphenylphenyl)phenyl]aniline
• PubChem CID: 170293847
• Molecular Formula: C85H69N
• Molecular Weight: 1104.49 g/mol
• Exact Mass: 1103.54
• IUPAC Name: 2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-[4-(3,4-diphenylphenyl)phenyl]aniline
• SMILES: CC(C)(C)c1cc(-c2cccc3cccc(-c4ccccc4N(c4ccc(-c5ccc(-c6ccccc6)c(-c6ccccc6)c5)cc4)c4ccc(-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)cc4)c23)cc(C(C)(C)C)c1
• InChI: InChI=1S/C85H69N/c1-83(2,3)68-53-65(54-69(57-68)84(4,5)6)73-37-23-29-62-30-24-38-77(82(62)73)76-36-20-22-40-81(76)86(70-47-41-58(42-48-70)63-45-51-72(60-25-11-7-12-26-60)78(55-63)61-27-13-8-14-28-61)71-49-43-59(44-50-71)64-46-52-75-74-35-19-21-39-79(74)85(80(75)56-64,66-31-15-9-16-32-66)67-33-17-10-18-34-67/h7-57H,1-6H3
• InChIKey: ZCYGLQVPGJKPRO-UHFFFAOYSA-N
• XLogP: 23.27
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 11
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1104.49
LogP ≤ 5	23.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

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

The IUPAC name of 2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-[4-(3,4-diphenylphenyl)phenyl]aniline (CID 170293847) is 2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-[4-(3,4-diphenylphenyl)phenyl]aniline.

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

The canonical SMILES for 2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-[4-(3,4-diphenylphenyl)phenyl]aniline is CC(C)(C)c1cc(-c2cccc3cccc(-c4ccccc4N(c4ccc(-c5ccc(-c6ccccc6)c(-c6ccccc6)c5)cc4)c4ccc(-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)cc4)c23)cc(C(C)(C)C)c1.

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

The InChIKey is ZCYGLQVPGJKPRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C85H69N/c1-83(2,3)68-53-65(54-69(57-68)84(4,5)6)73-37-23-29-62-30-24-38-77(82(62)73)76-36-20-22-40-81(76)86(70-47-41-58(42-48-70)63-45-51-72(60-25-11-7-12-26-60)78(55-63)61-27-13-8-14-28-61)71-49-43-59(44-50-71)64-46-52-75-74-35-19-21-39-79(74)85(80(75)56-64,66-31-15-9-16-32-66)67-33-17-10-18-34-67/h7-57H,1-6H3.

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

2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-[4-(3,4-diphenylphenyl)phenyl]aniline has a molecular weight of 1104.49 g/mol, XLogP of 23.27, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-[4-(3,4-diphenylphenyl)phenyl]aniline is sourced from PubChem (CID 170293847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).