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

C62H61N — CID 170292483

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

3,5-ditert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9-methyl-9-phenylfluoren-4-yl)phenyl]aniline (PubChem CID 170292483) has the molecular formula C62H61N and a molecular weight of 820.18 g/mol. Its IUPAC name is 3,5-ditert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9-methyl-9-phenylfluoren-4-yl)phenyl]aniline.

Molecular Properties

• Compound Name: 3,5-ditert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9-methyl-9-phenylfluoren-4-yl)phenyl]aniline
• PubChem CID: 170292483
• Molecular Formula: C62H61N
• Molecular Weight: 820.18 g/mol
• Exact Mass: 819.48
• IUPAC Name: 3,5-ditert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9-methyl-9-phenylfluoren-4-yl)phenyl]aniline
• SMILES: CC(C)(C)c1cc(N(c2ccccc2-c2cccc3c2-c2ccccc2C3(C)c2ccccc2)c2ccccc2-c2cccc3cccc(C4CCCCC4)c23)cc(C(C)(C)C)c1
• InChI: InChI=1S/C62H61N/c1-60(2,3)45-39-46(61(4,5)6)41-47(40-45)63(56-37-18-15-29-49(56)51-33-21-26-43-25-20-32-48(58(43)51)42-23-10-8-11-24-42)57-38-19-16-30-50(57)52-34-22-36-55-59(52)53-31-14-17-35-54(53)62(55,7)44-27-12-9-13-28-44/h9,12-22,25-42H,8,10-11,23-24H2,1-7H3
• InChIKey: DAZLCZZJECQXGT-UHFFFAOYSA-N
• XLogP: 17.62
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 7
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	820.18
LogP ≤ 5	17.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

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

The IUPAC name of 3,5-ditert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9-methyl-9-phenylfluoren-4-yl)phenyl]aniline (CID 170292483) is 3,5-ditert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9-methyl-9-phenylfluoren-4-yl)phenyl]aniline.

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

The canonical SMILES for 3,5-ditert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9-methyl-9-phenylfluoren-4-yl)phenyl]aniline is CC(C)(C)c1cc(N(c2ccccc2-c2cccc3c2-c2ccccc2C3(C)c2ccccc2)c2ccccc2-c2cccc3cccc(C4CCCCC4)c23)cc(C(C)(C)C)c1.

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

The InChIKey is DAZLCZZJECQXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H61N/c1-60(2,3)45-39-46(61(4,5)6)41-47(40-45)63(56-37-18-15-29-49(56)51-33-21-26-43-25-20-32-48(58(43)51)42-23-10-8-11-24-42)57-38-19-16-30-50(57)52-34-22-36-55-59(52)53-31-14-17-35-54(53)62(55,7)44-27-12-9-13-28-44/h9,12-22,25-42H,8,10-11,23-24H2,1-7H3.

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

3,5-ditert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9-methyl-9-phenylfluoren-4-yl)phenyl]aniline has a molecular weight of 820.18 g/mol, XLogP of 17.62, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-ditert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9-methyl-9-phenylfluoren-4-yl)phenyl]aniline is sourced from PubChem (CID 170292483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).