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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-(9,9-Dimethylacridin-10-yl)phenyl]xanthen-9-one
CID 121337022
(E)-N-(9H-acridin-10-yl)-1-[5-[(E)-9H-acridin-10-yliminomethyl]-1-benzofuran-2-yl]-2,2,2-trifluoroethanimine
CID 20641035
2-N,8-N-bis(3-fluorophenyl)-8-N-[4-[4-[N-(3-fluorophenyl)-4-[4-[N-(3-fluorophenyl)-4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]anilino]phenyl]anilino]phenyl]phenyl]-2-N-(4-methylphenyl)dibenzofuran-2,8-diamine
CID 23594459
10-[6-(6-Methyl-9-spiro[acridine-9,1'-cyclopentane]-10-yldibenzofuran-4-yl)-4-(trifluoromethyl)dibenzofuran-1-yl]spiro[acridine-9,1'-cyclopentane]
CID 68043450
4-[2-[2-[4-(5-fluoro-1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline
CID 70908841
2-Dibenzofuran-2-yl-10-(2-fluoro-4-phenylphenyl)-9,9-dimethyl-7-phenylacridine
CID 71003822
2-Dibenzofuran-2-yl-10-[4-(4-fluorophenyl)phenyl]-9,9-dimethyl-7-phenylacridine
CID 71003823
2-Dibenzofuran-2-yl-7-fluoro-9,9-dimethyl-10-(4-phenylphenyl)acridine
CID 71003835
3-Dibenzofuran-2-yl-7-fluoro-10-(4-phenylphenyl)phenoxazine
CID 71003837
2-Dibenzofuran-2-yl-7-(4-fluorophenyl)-9,9-dimethyl-10-(2-methyl-4-phenylphenyl)acridine
CID 71003945
2-Dibenzofuran-2-yl-7-fluoro-9,9-diphenyl-10-(4-phenylphenyl)acridine
CID 71003984
2-(3-Dibenzofuran-2-ylphenyl)-7-fluoro-9,9-dimethyl-10-(4-phenylphenyl)acridine
CID 71003990

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).