N-(3-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethyl-6,8-diphenylfluoren-3-yl)phenyl]-9,9-dimethyl-8,8a-dihydrofluoren-2-amine

C₆₆H₅₁NO — CID 156827268

About N-(3-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethyl-6,8-diphenylfluoren-3-yl)phenyl]-9,9-dimethyl-8,8a-dihydrofluoren-2-amine

N-(3-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethyl-6,8-diphenylfluoren-3-yl)phenyl]-9,9-dimethyl-8,8a-dihydrofluoren-2-amine (PubChem CID 156827268) has the molecular formula C₆₆H₅₁NO and a molecular weight of 874.14 g/mol. Its IUPAC name is N-(3-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethyl-6,8-diphenylfluoren-3-yl)phenyl]-9,9-dimethyl-8,8a-dihydrofluoren-2-amine.

Molecular Properties

• Compound Name: N-(3-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethyl-6,8-diphenylfluoren-3-yl)phenyl]-9,9-dimethyl-8,8a-dihydrofluoren-2-amine
• PubChem CID: 156827268
• Molecular Formula: C₆₆H₅₁NO
• Molecular Weight: 874.14 g/mol
• Exact Mass: 873.40
• IUPAC Name: N-(3-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethyl-6,8-diphenylfluoren-3-yl)phenyl]-9,9-dimethyl-8,8a-dihydrofluoren-2-amine
• SMILES: CC1(C)c2ccc(-c3ccc(N(c4cccc(-c5cccc6c5oc5ccccc56)c4)c4ccc5c(c4)C(C)(C)C4CC=CC=C54)cc3)cc2-c2cc(-c3ccccc3)cc(-c3ccccc3)c21
• InChI: InChI=1S/C66H51NO/c1-65(2)59-27-13-11-23-52(59)53-35-34-50(41-61(53)65)67(49-22-15-21-46(37-49)51-25-16-26-55-54-24-12-14-28-62(54)68-64(51)55)48-32-29-43(30-33-48)45-31-36-60-57(38-45)58-40-47(42-17-7-5-8-18-42)39-56(63(58)66(60,3)4)44-19-9-6-10-20-44/h5-26,28-41,59H,27H2,1-4H3
• InChIKey: SKNUAETXARAHHN-UHFFFAOYSA-N
• XLogP: 18.28
• TPSA: 16.38 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	874.14
LogP ≤ 5	18.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethyl-6,8-diphenylfluoren-3-yl)phenyl]-9,9-dimethyl-8,8a-dihydrofluoren-2-amine?

The IUPAC name of N-(3-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethyl-6,8-diphenylfluoren-3-yl)phenyl]-9,9-dimethyl-8,8a-dihydrofluoren-2-amine (CID 156827268) is N-(3-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethyl-6,8-diphenylfluoren-3-yl)phenyl]-9,9-dimethyl-8,8a-dihydrofluoren-2-amine.

What is the SMILES notation for N-(3-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethyl-6,8-diphenylfluoren-3-yl)phenyl]-9,9-dimethyl-8,8a-dihydrofluoren-2-amine?

The canonical SMILES for N-(3-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethyl-6,8-diphenylfluoren-3-yl)phenyl]-9,9-dimethyl-8,8a-dihydrofluoren-2-amine is CC1(C)c2ccc(-c3ccc(N(c4cccc(-c5cccc6c5oc5ccccc56)c4)c4ccc5c(c4)C(C)(C)C4CC=CC=C54)cc3)cc2-c2cc(-c3ccccc3)cc(-c3ccccc3)c21.

What is the InChIKey of N-(3-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethyl-6,8-diphenylfluoren-3-yl)phenyl]-9,9-dimethyl-8,8a-dihydrofluoren-2-amine?

The InChIKey is SKNUAETXARAHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H51NO/c1-65(2)59-27-13-11-23-52(59)53-35-34-50(41-61(53)65)67(49-22-15-21-46(37-49)51-25-16-26-55-54-24-12-14-28-62(54)68-64(51)55)48-32-29-43(30-33-48)45-31-36-60-57(38-45)58-40-47(42-17-7-5-8-18-42)39-56(63(58)66(60,3)4)44-19-9-6-10-20-44/h5-26,28-41,59H,27H2,1-4H3.

What are the key properties of N-(3-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethyl-6,8-diphenylfluoren-3-yl)phenyl]-9,9-dimethyl-8,8a-dihydrofluoren-2-amine?

N-(3-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethyl-6,8-diphenylfluoren-3-yl)phenyl]-9,9-dimethyl-8,8a-dihydrofluoren-2-amine has a molecular weight of 874.14 g/mol, XLogP of 18.28, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethyl-6,8-diphenylfluoren-3-yl)phenyl]-9,9-dimethyl-8,8a-dihydrofluoren-2-amine is sourced from PubChem (CID 156827268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 156827268 — identifiers, structure, computed properties (public domain)

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