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

C73H59NO — CID 170302086

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

N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]dibenzofuran-2-amine (PubChem CID 170302086) has the molecular formula C73H59NO and a molecular weight of 966.28 g/mol. Its IUPAC name is N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]dibenzofuran-2-amine.

Molecular Properties

• Compound Name: N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]dibenzofuran-2-amine
• PubChem CID: 170302086
• Molecular Formula: C73H59NO
• Molecular Weight: 966.28 g/mol
• Exact Mass: 965.46
• IUPAC Name: N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]dibenzofuran-2-amine
• SMILES: CC(C)(C)c1cc(-c2cccc3cccc(-c4ccccc4N(c4ccc(-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)cc4)c4ccc5oc6ccccc6c5c4)c23)cc(C(C)(C)C)c1
• InChI: InChI=1S/C73H59NO/c1-71(2,3)54-43-51(44-55(46-54)72(4,5)6)58-30-19-21-49-22-20-31-63(70(49)58)61-28-14-17-33-67(61)74(57-40-42-69-64(47-57)62-29-15-18-34-68(62)75-69)56-38-35-48(36-39-56)50-37-41-60-59-27-13-16-32-65(59)73(66(60)45-50,52-23-9-7-10-24-52)53-25-11-8-12-26-53/h7-47H,1-6H3
• InChIKey: BCLJLLQJVGCHJN-UHFFFAOYSA-N
• XLogP: 20.17
• TPSA: 16.38 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	966.28
LogP ≤ 5	20.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

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

The IUPAC name of N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]dibenzofuran-2-amine (CID 170302086) is N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]dibenzofuran-2-amine.

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

The canonical SMILES for N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]dibenzofuran-2-amine is CC(C)(C)c1cc(-c2cccc3cccc(-c4ccccc4N(c4ccc(-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)cc4)c4ccc5oc6ccccc6c5c4)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-(9,9-diphenylfluoren-2-yl)phenyl]dibenzofuran-2-amine?

The InChIKey is BCLJLLQJVGCHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H59NO/c1-71(2,3)54-43-51(44-55(46-54)72(4,5)6)58-30-19-21-49-22-20-31-63(70(49)58)61-28-14-17-33-67(61)74(57-40-42-69-64(47-57)62-29-15-18-34-68(62)75-69)56-38-35-48(36-39-56)50-37-41-60-59-27-13-16-32-65(59)73(66(60)45-50,52-23-9-7-10-24-52)53-25-11-8-12-26-53/h7-47H,1-6H3.

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

N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]dibenzofuran-2-amine has a molecular weight of 966.28 g/mol, XLogP of 20.17, 8 rotatable bonds, 0 hydrogen bond donors, and 2 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-(9,9-diphenylfluoren-2-yl)phenyl]dibenzofuran-2-amine is sourced from PubChem (CID 170302086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).