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

C66H54N2O — CID 170300024

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

N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[3-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-1-amine (PubChem CID 170300024) has the molecular formula C66H54N2O and a molecular weight of 891.17 g/mol. Its IUPAC name is N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[3-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-1-amine.

Molecular Properties

• Compound Name: N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[3-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-1-amine
• PubChem CID: 170300024
• Molecular Formula: C66H54N2O
• Molecular Weight: 891.17 g/mol
• Exact Mass: 890.42
• IUPAC Name: N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[3-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-1-amine
• SMILES: CC(C)(C)c1cc(-c2cccc3cccc(-c4ccccc4N(c4cccc(-c5cccc6c7ccccc7n(-c7ccccc7)c56)c4)c4cccc5oc6ccccc6c45)c23)cc(C(C)(C)C)c1
• InChI: InChI=1S/C66H54N2O/c1-65(2,3)46-39-45(40-47(42-46)66(4,5)6)50-30-17-21-43-22-18-32-54(62(43)50)52-27-10-13-34-57(52)67(59-36-20-38-61-63(59)56-29-12-15-37-60(56)69-61)49-26-16-23-44(41-49)51-31-19-33-55-53-28-11-14-35-58(53)68(64(51)55)48-24-8-7-9-25-48/h7-42H,1-6H3
• InChIKey: FIXNCKYIDCQCKH-UHFFFAOYSA-N
• XLogP: 18.90
• TPSA: 21.31 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	891.17
LogP ≤ 5	18.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[3-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-1-amine (CID 170300024) is N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[3-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-1-amine.

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

The canonical SMILES for N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[3-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-1-amine is CC(C)(C)c1cc(-c2cccc3cccc(-c4ccccc4N(c4cccc(-c5cccc6c7ccccc7n(-c7ccccc7)c56)c4)c4cccc5oc6ccccc6c45)c23)cc(C(C)(C)C)c1.

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

The InChIKey is FIXNCKYIDCQCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H54N2O/c1-65(2,3)46-39-45(40-47(42-46)66(4,5)6)50-30-17-21-43-22-18-32-54(62(43)50)52-27-10-13-34-57(52)67(59-36-20-38-61-63(59)56-29-12-15-37-60(56)69-61)49-26-16-23-44(41-49)51-31-19-33-55-53-28-11-14-35-58(53)68(64(51)55)48-24-8-7-9-25-48/h7-42H,1-6H3.

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

N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[3-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-1-amine has a molecular weight of 891.17 g/mol, XLogP of 18.90, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[3-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-1-amine is sourced from PubChem (CID 170300024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).