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

C76H65N — CID 170304007

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

N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[2-(9,9-diphenylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-4-amine (PubChem CID 170304007) has the molecular formula C76H65N and a molecular weight of 992.36 g/mol. Its IUPAC name is N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[2-(9,9-diphenylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-4-amine.

Molecular Properties

• Compound Name: N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[2-(9,9-diphenylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-4-amine
• PubChem CID: 170304007
• Molecular Formula: C76H65N
• Molecular Weight: 992.36 g/mol
• Exact Mass: 991.51
• IUPAC Name: N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[2-(9,9-diphenylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-4-amine
• SMILES: CC(C)(C)c1cc(-c2cccc3cccc(-c4ccccc4N(c4ccccc4-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c4cccc5c4-c4ccccc4C5(C)C)c23)cc(C(C)(C)C)c1
• InChI: InChI=1S/C76H65N/c1-73(2,3)55-46-52(47-56(49-55)74(4,5)6)58-36-23-26-50-27-24-37-62(71(50)58)61-34-18-22-42-69(61)77(70-43-25-40-66-72(70)63-35-16-19-38-64(63)75(66,7)8)68-41-21-17-32-57(68)51-44-45-60-59-33-15-20-39-65(59)76(67(60)48-51,53-28-11-9-12-29-53)54-30-13-10-14-31-54/h9-49H,1-8H3
• InChIKey: FCXIKAWDDHNPJP-UHFFFAOYSA-N
• XLogP: 20.58
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 8
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	992.36
LogP ≤ 5	20.58
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-[2-(9,9-diphenylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-4-amine?

The IUPAC name of N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[2-(9,9-diphenylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-4-amine (CID 170304007) is N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[2-(9,9-diphenylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-4-amine.

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

The canonical SMILES for N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[2-(9,9-diphenylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-4-amine is CC(C)(C)c1cc(-c2cccc3cccc(-c4ccccc4N(c4ccccc4-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c4cccc5c4-c4ccccc4C5(C)C)c23)cc(C(C)(C)C)c1.

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

The InChIKey is FCXIKAWDDHNPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H65N/c1-73(2,3)55-46-52(47-56(49-55)74(4,5)6)58-36-23-26-50-27-24-37-62(71(50)58)61-34-18-22-42-69(61)77(70-43-25-40-66-72(70)63-35-16-19-38-64(63)75(66,7)8)68-41-21-17-32-57(68)51-44-45-60-59-33-15-20-39-65(59)76(67(60)48-51,53-28-11-9-12-29-53)54-30-13-10-14-31-54/h9-49H,1-8H3.

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

N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[2-(9,9-diphenylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-4-amine has a molecular weight of 992.36 g/mol, XLogP of 20.58, 8 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-[2-(9,9-diphenylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-4-amine is sourced from PubChem (CID 170304007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).