N-[4-(3-dibenzofuran-2-ylphenyl)phenyl]-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-9,9-diphenylfluoren-3-amine

C₇₃H₄₇NO₂ — CID 121425114

About N-[4-(3-dibenzofuran-2-ylphenyl)phenyl]-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-9,9-diphenylfluoren-3-amine

N-[4-(3-dibenzofuran-2-ylphenyl)phenyl]-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-9,9-diphenylfluoren-3-amine (PubChem CID 121425114) has the molecular formula C₇₃H₄₇NO₂ and a molecular weight of 970.18 g/mol. Its IUPAC name is N-[4-(3-dibenzofuran-2-ylphenyl)phenyl]-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-9,9-diphenylfluoren-3-amine.

Molecular Properties

• Compound Name: N-[4-(3-dibenzofuran-2-ylphenyl)phenyl]-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-9,9-diphenylfluoren-3-amine
• PubChem CID: 121425114
• Molecular Formula: C₇₃H₄₇NO₂
• Molecular Weight: 970.18 g/mol
• Exact Mass: 969.36
• IUPAC Name: N-[4-(3-dibenzofuran-2-ylphenyl)phenyl]-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-9,9-diphenylfluoren-3-amine
• SMILES: c1ccc(C2(c3ccccc3)c3ccccc3-c3cc(N(c4ccc(-c5ccc(-c6cccc7c6oc6ccccc67)cc5)cc4)c4ccc(-c5cccc(-c6ccc7oc8ccccc8c7c6)c5)cc4)ccc32)cc1
• InChI: InChI=1S/C73H47NO2/c1-3-17-55(18-4-1)73(56-19-5-2-6-20-56)67-26-10-7-21-61(67)65-47-59(42-43-68(65)73)74(57-38-33-49(34-39-57)48-29-31-51(32-30-48)60-24-14-25-64-62-22-8-12-28-70(62)76-72(60)64)58-40-35-50(36-41-58)52-15-13-16-53(45-52)54-37-44-71-66(46-54)63-23-9-11-27-69(63)75-71/h1-47H
• InChIKey: BBGPQRJSHZSZBH-UHFFFAOYSA-N
• XLogP: 19.99
• TPSA: 29.52 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	970.18
LogP ≤ 5	19.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-dibenzofuran-2-ylphenyl)phenyl]-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-9,9-diphenylfluoren-3-amine?

The IUPAC name of N-[4-(3-dibenzofuran-2-ylphenyl)phenyl]-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-9,9-diphenylfluoren-3-amine (CID 121425114) is N-[4-(3-dibenzofuran-2-ylphenyl)phenyl]-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-9,9-diphenylfluoren-3-amine.

What is the SMILES notation for N-[4-(3-dibenzofuran-2-ylphenyl)phenyl]-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-9,9-diphenylfluoren-3-amine?

The canonical SMILES for N-[4-(3-dibenzofuran-2-ylphenyl)phenyl]-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-9,9-diphenylfluoren-3-amine is c1ccc(C2(c3ccccc3)c3ccccc3-c3cc(N(c4ccc(-c5ccc(-c6cccc7c6oc6ccccc67)cc5)cc4)c4ccc(-c5cccc(-c6ccc7oc8ccccc8c7c6)c5)cc4)ccc32)cc1.

What is the InChIKey of N-[4-(3-dibenzofuran-2-ylphenyl)phenyl]-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-9,9-diphenylfluoren-3-amine?

The InChIKey is BBGPQRJSHZSZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H47NO2/c1-3-17-55(18-4-1)73(56-19-5-2-6-20-56)67-26-10-7-21-61(67)65-47-59(42-43-68(65)73)74(57-38-33-49(34-39-57)48-29-31-51(32-30-48)60-24-14-25-64-62-22-8-12-28-70(62)76-72(60)64)58-40-35-50(36-41-58)52-15-13-16-53(45-52)54-37-44-71-66(46-54)63-23-9-11-27-69(63)75-71/h1-47H.

What are the key properties of N-[4-(3-dibenzofuran-2-ylphenyl)phenyl]-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-9,9-diphenylfluoren-3-amine?

N-[4-(3-dibenzofuran-2-ylphenyl)phenyl]-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-9,9-diphenylfluoren-3-amine has a molecular weight of 970.18 g/mol, XLogP of 19.99, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(3-dibenzofuran-2-ylphenyl)phenyl]-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-9,9-diphenylfluoren-3-amine is sourced from PubChem (CID 121425114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 121425114 — identifiers, structure, computed properties (public domain)

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