N-[4-(4a,9b-dihydrodibenzofuran-2-yl)phenyl]-N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-7-phenylfluoren-2-amine

C₅₇H₄₁NO₂ — CID 121321717

About N-[4-(4a,9b-dihydrodibenzofuran-2-yl)phenyl]-N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-7-phenylfluoren-2-amine

N-[4-(4a,9b-dihydrodibenzofuran-2-yl)phenyl]-N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-7-phenylfluoren-2-amine (PubChem CID 121321717) has the molecular formula C₅₇H₄₁NO₂ and a molecular weight of 771.96 g/mol. Its IUPAC name is N-[4-(4a,9b-dihydrodibenzofuran-2-yl)phenyl]-N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-7-phenylfluoren-2-amine.

Molecular Properties

• Compound Name: N-[4-(4a,9b-dihydrodibenzofuran-2-yl)phenyl]-N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-7-phenylfluoren-2-amine
• PubChem CID: 121321717
• Molecular Formula: C₅₇H₄₁NO₂
• Molecular Weight: 771.96 g/mol
• Exact Mass: 771.31
• IUPAC Name: N-[4-(4a,9b-dihydrodibenzofuran-2-yl)phenyl]-N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-7-phenylfluoren-2-amine
• SMILES: CC1(C)c2cc(-c3ccccc3)ccc2-c2ccc(N(c3ccc(C4=CC5c6ccccc6OC5C=C4)cc3)c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)cc21
• InChI: InChI=1S/C57H41NO2/c1-57(2)51-34-41(36-10-4-3-5-11-36)20-28-45(51)46-29-27-44(35-52(46)57)58(42-23-16-37(17-24-42)39-21-30-55-49(32-39)47-12-6-8-14-53(47)59-55)43-25-18-38(19-26-43)40-22-31-56-50(33-40)48-13-7-9-15-54(48)60-56/h3-35,49,55H,1-2H3
• InChIKey: JJIWAXLYQKQVBF-UHFFFAOYSA-N
• XLogP: 15.19
• TPSA: 25.61 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	771.96
LogP ≤ 5	15.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[4-(4a,9b-dihydrodibenzofuran-2-yl)phenyl]-N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-7-phenylfluoren-2-amine?

The IUPAC name of N-[4-(4a,9b-dihydrodibenzofuran-2-yl)phenyl]-N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-7-phenylfluoren-2-amine (CID 121321717) is N-[4-(4a,9b-dihydrodibenzofuran-2-yl)phenyl]-N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-7-phenylfluoren-2-amine.

What is the SMILES notation for N-[4-(4a,9b-dihydrodibenzofuran-2-yl)phenyl]-N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-7-phenylfluoren-2-amine?

The canonical SMILES for N-[4-(4a,9b-dihydrodibenzofuran-2-yl)phenyl]-N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-7-phenylfluoren-2-amine is CC1(C)c2cc(-c3ccccc3)ccc2-c2ccc(N(c3ccc(C4=CC5c6ccccc6OC5C=C4)cc3)c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)cc21.

What is the InChIKey of N-[4-(4a,9b-dihydrodibenzofuran-2-yl)phenyl]-N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-7-phenylfluoren-2-amine?

The InChIKey is JJIWAXLYQKQVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H41NO2/c1-57(2)51-34-41(36-10-4-3-5-11-36)20-28-45(51)46-29-27-44(35-52(46)57)58(42-23-16-37(17-24-42)39-21-30-55-49(32-39)47-12-6-8-14-53(47)59-55)43-25-18-38(19-26-43)40-22-31-56-50(33-40)48-13-7-9-15-54(48)60-56/h3-35,49,55H,1-2H3.

What are the key properties of N-[4-(4a,9b-dihydrodibenzofuran-2-yl)phenyl]-N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-7-phenylfluoren-2-amine?

N-[4-(4a,9b-dihydrodibenzofuran-2-yl)phenyl]-N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-7-phenylfluoren-2-amine has a molecular weight of 771.96 g/mol, XLogP of 15.19, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(4a,9b-dihydrodibenzofuran-2-yl)phenyl]-N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-7-phenylfluoren-2-amine is sourced from PubChem (CID 121321717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 121321717 — identifiers, structure, computed properties (public domain)

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