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

C73H67N — CID 170293343

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

2-(8-cyclohexylnaphthalen-1-yl)-N-[2-(3,5-ditert-butylphenyl)phenyl]-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]aniline (PubChem CID 170293343) has the molecular formula C73H67N and a molecular weight of 958.35 g/mol. Its IUPAC name is 2-(8-cyclohexylnaphthalen-1-yl)-N-[2-(3,5-ditert-butylphenyl)phenyl]-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]aniline.

Molecular Properties

• Compound Name: 2-(8-cyclohexylnaphthalen-1-yl)-N-[2-(3,5-ditert-butylphenyl)phenyl]-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]aniline
• PubChem CID: 170293343
• Molecular Formula: C73H67N
• Molecular Weight: 958.35 g/mol
• Exact Mass: 957.53
• IUPAC Name: 2-(8-cyclohexylnaphthalen-1-yl)-N-[2-(3,5-ditert-butylphenyl)phenyl]-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]aniline
• SMILES: CC(C)(C)c1cc(-c2ccccc2N(c2ccc(-c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)cc2)c2ccccc2-c2cccc3cccc(C4CCCCC4)c23)cc(C(C)(C)C)c1
• InChI: InChI=1S/C73H67N/c1-71(2,3)56-47-53(48-57(49-56)72(4,5)6)59-33-17-20-41-67(59)74(68-42-21-18-34-62(68)63-38-23-28-52-27-22-36-60(69(52)63)50-25-10-7-11-26-50)58-45-43-51(44-46-58)61-37-24-40-66-70(61)64-35-16-19-39-65(64)73(66,54-29-12-8-13-30-54)55-31-14-9-15-32-55/h8-9,12-24,27-50H,7,10-11,25-26H2,1-6H3
• InChIKey: JGYBHGFXFUMTRD-UHFFFAOYSA-N
• XLogP: 20.32
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 9
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	958.35
LogP ≤ 5	20.32
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-[2-(3,5-ditert-butylphenyl)phenyl]-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]aniline?

The IUPAC name of 2-(8-cyclohexylnaphthalen-1-yl)-N-[2-(3,5-ditert-butylphenyl)phenyl]-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]aniline (CID 170293343) is 2-(8-cyclohexylnaphthalen-1-yl)-N-[2-(3,5-ditert-butylphenyl)phenyl]-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]aniline.

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

The canonical SMILES for 2-(8-cyclohexylnaphthalen-1-yl)-N-[2-(3,5-ditert-butylphenyl)phenyl]-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]aniline is CC(C)(C)c1cc(-c2ccccc2N(c2ccc(-c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)cc2)c2ccccc2-c2cccc3cccc(C4CCCCC4)c23)cc(C(C)(C)C)c1.

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

The InChIKey is JGYBHGFXFUMTRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H67N/c1-71(2,3)56-47-53(48-57(49-56)72(4,5)6)59-33-17-20-41-67(59)74(68-42-21-18-34-62(68)63-38-23-28-52-27-22-36-60(69(52)63)50-25-10-7-11-26-50)58-45-43-51(44-46-58)61-37-24-40-66-70(61)64-35-16-19-39-65(64)73(66,54-29-12-8-13-30-54)55-31-14-9-15-32-55/h8-9,12-24,27-50H,7,10-11,25-26H2,1-6H3.

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

2-(8-cyclohexylnaphthalen-1-yl)-N-[2-(3,5-ditert-butylphenyl)phenyl]-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]aniline has a molecular weight of 958.35 g/mol, XLogP of 20.32, 9 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-[2-(3,5-ditert-butylphenyl)phenyl]-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]aniline is sourced from PubChem (CID 170293343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).