N-(4-dibenzofuran-2-ylphenyl)-9,9-bis(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine

C73H49NO — CID 122675393

About N-(4-dibenzofuran-2-ylphenyl)-9,9-bis(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine

N-(4-dibenzofuran-2-ylphenyl)-9,9-bis(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine (PubChem CID 122675393) has the molecular formula C73H49NO and a molecular weight of 956.20 g/mol. Its IUPAC name is N-(4-dibenzofuran-2-ylphenyl)-9,9-bis(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine.

Molecular Properties

• Compound Name: N-(4-dibenzofuran-2-ylphenyl)-9,9-bis(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine
• PubChem CID: 122675393
• Molecular Formula: C73H49NO
• Molecular Weight: 956.20 g/mol
• Exact Mass: 955.38
• IUPAC Name: N-(4-dibenzofuran-2-ylphenyl)-9,9-bis(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine
• SMILES: c1ccc(-c2ccc(-c3ccccc3N(c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)c3ccc4c(c3)C(c3ccc(-c5ccccc5)cc3)(c3ccc(-c5ccccc5)cc3)c3ccccc3-4)cc2)cc1
• InChI: InChI=1S/C73H49NO/c1-4-16-50(17-5-1)53-28-30-57(31-29-53)63-22-11-14-26-70(63)74(61-43-36-56(37-44-61)58-38-47-72-67(48-58)66-24-12-15-27-71(66)75-72)62-45-46-65-64-23-10-13-25-68(64)73(69(65)49-62,59-39-32-54(33-40-59)51-18-6-2-7-19-51)60-41-34-55(35-42-60)52-20-8-3-9-21-52/h1-49H
• InChIKey: QJMATKITCAKXSY-UHFFFAOYSA-N
• XLogP: 19.75
• TPSA: 16.38 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	956.20
LogP ≤ 5	19.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-2-ylphenyl)-9,9-bis(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine?

The IUPAC name of N-(4-dibenzofuran-2-ylphenyl)-9,9-bis(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine (CID 122675393) is N-(4-dibenzofuran-2-ylphenyl)-9,9-bis(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine.

What is the SMILES notation for N-(4-dibenzofuran-2-ylphenyl)-9,9-bis(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine?

The canonical SMILES for N-(4-dibenzofuran-2-ylphenyl)-9,9-bis(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine is c1ccc(-c2ccc(-c3ccccc3N(c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)c3ccc4c(c3)C(c3ccc(-c5ccccc5)cc3)(c3ccc(-c5ccccc5)cc3)c3ccccc3-4)cc2)cc1.

What is the InChIKey of N-(4-dibenzofuran-2-ylphenyl)-9,9-bis(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine?

The InChIKey is QJMATKITCAKXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H49NO/c1-4-16-50(17-5-1)53-28-30-57(31-29-53)63-22-11-14-26-70(63)74(61-43-36-56(37-44-61)58-38-47-72-67(48-58)66-24-12-15-27-71(66)75-72)62-45-46-65-64-23-10-13-25-68(64)73(69(65)49-62,59-39-32-54(33-40-59)51-18-6-2-7-19-51)60-41-34-55(35-42-60)52-20-8-3-9-21-52/h1-49H.

What are the key properties of N-(4-dibenzofuran-2-ylphenyl)-9,9-bis(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine?

N-(4-dibenzofuran-2-ylphenyl)-9,9-bis(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine has a molecular weight of 956.20 g/mol, XLogP of 19.75, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-dibenzofuran-2-ylphenyl)-9,9-bis(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine is sourced from PubChem (CID 122675393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).