2-dibenzofuran-4-yl-10,10'-bis[4-(4-fluorophenyl)phenyl]-9,9'-spirobi[acridine]

C61H38F2N2O — CID 118465186

IUPAC2-dibenzofuran-4-yl-10,10'-bis[4-(4-fluorophenyl)phenyl]-9,9'-spirobi[acridine]
SMILESFc1ccc(-c2ccc(N3c4ccccc4C4(c5ccccc53)c3ccccc3N(c3ccc(-c5ccc(F)cc5)cc3)c3ccc(-c5cccc6c5oc5ccccc56)cc34)cc2)cc1
InChIInChI=1S/C61H38F2N2O/c62-44-29-20-39(21-30-44)41-24-33-46(34-25-41)64-55-16-5-2-13-51(55)61(52-14-3-6-17-56(52)64)53-15-4-7-18-57(53)65(47-35-26-42(27-36-47)40-22-31-45(63)32-23-40)58-37-28-43(38-54(58)61)48-11-9-12-50-49-10-1-8-19-59(49)66-60(48)50/h1-38H
InChIKeyUOUYLSDFKNUEJM-UHFFFAOYSA-N
MW852.98 g/mol
LogP16.81
Rot. Bonds5

About 2-dibenzofuran-4-yl-10,10'-bis[4-(4-fluorophenyl)phenyl]-9,9'-spirobi[acridine]

2-dibenzofuran-4-yl-10,10'-bis[4-(4-fluorophenyl)phenyl]-9,9'-spirobi[acridine] (PubChem CID 118465186) has the molecular formula C61H38F2N2O and a molecular weight of 852.98 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-10,10'-bis[4-(4-fluorophenyl)phenyl]-9,9'-spirobi[acridine].

Molecular Properties

Compound Name2-dibenzofuran-4-yl-10,10'-bis[4-(4-fluorophenyl)phenyl]-9,9'-spirobi[acridine]
PubChem CID118465186
Molecular FormulaC61H38F2N2O
Molecular Weight852.98 g/mol
Exact Mass852.30
IUPAC Name2-dibenzofuran-4-yl-10,10'-bis[4-(4-fluorophenyl)phenyl]-9,9'-spirobi[acridine]
SMILESFc1ccc(-c2ccc(N3c4ccccc4C4(c5ccccc53)c3ccccc3N(c3ccc(-c5ccc(F)cc5)cc3)c3ccc(-c5cccc6c5oc5ccccc56)cc34)cc2)cc1
InChIInChI=1S/C61H38F2N2O/c62-44-29-20-39(21-30-44)41-24-33-46(34-25-41)64-55-16-5-2-13-51(55)61(52-14-3-6-17-56(52)64)53-15-4-7-18-57(53)65(47-35-26-42(27-36-47)40-22-31-45(63)32-23-40)58-37-28-43(38-54(58)61)48-11-9-12-50-49-10-1-8-19-59(49)66-60(48)50/h1-38H
InChIKeyUOUYLSDFKNUEJM-UHFFFAOYSA-N
XLogP16.81
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500852.98
LogP ≤ 516.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-4-yl-10,10'-bis[4-(4-fluorophenyl)phenyl]-9,9'-spirobi[acridine]?
The IUPAC name of 2-dibenzofuran-4-yl-10,10'-bis[4-(4-fluorophenyl)phenyl]-9,9'-spirobi[acridine] (CID 118465186) is 2-dibenzofuran-4-yl-10,10'-bis[4-(4-fluorophenyl)phenyl]-9,9'-spirobi[acridine].
What is the SMILES notation for 2-dibenzofuran-4-yl-10,10'-bis[4-(4-fluorophenyl)phenyl]-9,9'-spirobi[acridine]?
The canonical SMILES for 2-dibenzofuran-4-yl-10,10'-bis[4-(4-fluorophenyl)phenyl]-9,9'-spirobi[acridine] is Fc1ccc(-c2ccc(N3c4ccccc4C4(c5ccccc53)c3ccccc3N(c3ccc(-c5ccc(F)cc5)cc3)c3ccc(-c5cccc6c5oc5ccccc56)cc34)cc2)cc1.
What is the InChIKey of 2-dibenzofuran-4-yl-10,10'-bis[4-(4-fluorophenyl)phenyl]-9,9'-spirobi[acridine]?
The InChIKey is UOUYLSDFKNUEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H38F2N2O/c62-44-29-20-39(21-30-44)41-24-33-46(34-25-41)64-55-16-5-2-13-51(55)61(52-14-3-6-17-56(52)64)53-15-4-7-18-57(53)65(47-35-26-42(27-36-47)40-22-31-45(63)32-23-40)58-37-28-43(38-54(58)61)48-11-9-12-50-49-10-1-8-19-59(49)66-60(48)50/h1-38H.
What are the key properties of 2-dibenzofuran-4-yl-10,10'-bis[4-(4-fluorophenyl)phenyl]-9,9'-spirobi[acridine]?
2-dibenzofuran-4-yl-10,10'-bis[4-(4-fluorophenyl)phenyl]-9,9'-spirobi[acridine] has a molecular weight of 852.98 g/mol, XLogP of 16.81, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-4-yl-10,10'-bis[4-(4-fluorophenyl)phenyl]-9,9'-spirobi[acridine] is sourced from PubChem (CID 118465186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).