N-[9-(4-dibenzofuran-4-ylphenyl)-9-(4-phenylphenyl)fluoren-4-yl]-9,9-dimethyl-N-phenylfluoren-2-amine

C64H45NO — CID 164769069

About N-[9-(4-dibenzofuran-4-ylphenyl)-9-(4-phenylphenyl)fluoren-4-yl]-9,9-dimethyl-N-phenylfluoren-2-amine

N-[9-(4-dibenzofuran-4-ylphenyl)-9-(4-phenylphenyl)fluoren-4-yl]-9,9-dimethyl-N-phenylfluoren-2-amine (PubChem CID 164769069) has the molecular formula C64H45NO and a molecular weight of 844.07 g/mol. Its IUPAC name is N-[9-(4-dibenzofuran-4-ylphenyl)-9-(4-phenylphenyl)fluoren-4-yl]-9,9-dimethyl-N-phenylfluoren-2-amine.

Molecular Properties

• Compound Name: N-[9-(4-dibenzofuran-4-ylphenyl)-9-(4-phenylphenyl)fluoren-4-yl]-9,9-dimethyl-N-phenylfluoren-2-amine
• PubChem CID: 164769069
• Molecular Formula: C64H45NO
• Molecular Weight: 844.07 g/mol
• Exact Mass: 843.35
• IUPAC Name: N-[9-(4-dibenzofuran-4-ylphenyl)-9-(4-phenylphenyl)fluoren-4-yl]-9,9-dimethyl-N-phenylfluoren-2-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cccc4c3-c3ccccc3C4(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc21
• InChI: InChI=1S/C64H45NO/c1-63(2)55-26-12-9-21-50(55)51-40-39-48(41-58(51)63)65(47-19-7-4-8-20-47)59-29-16-28-57-61(59)54-23-10-13-27-56(54)64(57,45-35-31-43(32-36-45)42-17-5-3-6-18-42)46-37-33-44(34-38-46)49-24-15-25-53-52-22-11-14-30-60(52)66-62(49)53/h3-41H,1-2H3
• InChIKey: IBSYIIISTUKCQL-UHFFFAOYSA-N
• XLogP: 17.06
• TPSA: 16.38 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	844.07
LogP ≤ 5	17.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

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

The IUPAC name of N-[9-(4-dibenzofuran-4-ylphenyl)-9-(4-phenylphenyl)fluoren-4-yl]-9,9-dimethyl-N-phenylfluoren-2-amine (CID 164769069) is N-[9-(4-dibenzofuran-4-ylphenyl)-9-(4-phenylphenyl)fluoren-4-yl]-9,9-dimethyl-N-phenylfluoren-2-amine.

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

The canonical SMILES for N-[9-(4-dibenzofuran-4-ylphenyl)-9-(4-phenylphenyl)fluoren-4-yl]-9,9-dimethyl-N-phenylfluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cccc4c3-c3ccccc3C4(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc21.

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

The InChIKey is IBSYIIISTUKCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H45NO/c1-63(2)55-26-12-9-21-50(55)51-40-39-48(41-58(51)63)65(47-19-7-4-8-20-47)59-29-16-28-57-61(59)54-23-10-13-27-56(54)64(57,45-35-31-43(32-36-45)42-17-5-3-6-18-42)46-37-33-44(34-38-46)49-24-15-25-53-52-22-11-14-30-60(52)66-62(49)53/h3-41H,1-2H3.

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

N-[9-(4-dibenzofuran-4-ylphenyl)-9-(4-phenylphenyl)fluoren-4-yl]-9,9-dimethyl-N-phenylfluoren-2-amine has a molecular weight of 844.07 g/mol, XLogP of 17.06, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[9-(4-dibenzofuran-4-ylphenyl)-9-(4-phenylphenyl)fluoren-4-yl]-9,9-dimethyl-N-phenylfluoren-2-amine is sourced from PubChem (CID 164769069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).