N-[4-[4-(N-dibenzofuran-4-yl-4-fluoroanilino)phenyl]phenyl]-N-(4-fluorophenyl)dibenzofuran-4-amine

C48H30F2N2O2 — CID 71126844

IUPACN-[4-[4-(N-dibenzofuran-4-yl-4-fluoroanilino)phenyl]phenyl]-N-(4-fluorophenyl)dibenzofuran-4-amine
SMILESFc1ccc(N(c2ccc(-c3ccc(N(c4ccc(F)cc4)c4cccc5c4oc4ccccc45)cc3)cc2)c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C48H30F2N2O2/c49-33-19-27-37(28-20-33)51(43-11-5-9-41-39-7-1-3-13-45(39)53-47(41)43)35-23-15-31(16-24-35)32-17-25-36(26-18-32)52(38-29-21-34(50)22-30-38)44-12-6-10-42-40-8-2-4-14-46(40)54-48(42)44/h1-30H
InChIKeyXUUMUPCQQQFNDX-UHFFFAOYSA-N
MW704.78 g/mol
LogP14.37
Rot. Bonds7

About N-[4-[4-(N-dibenzofuran-4-yl-4-fluoroanilino)phenyl]phenyl]-N-(4-fluorophenyl)dibenzofuran-4-amine

N-[4-[4-(N-dibenzofuran-4-yl-4-fluoroanilino)phenyl]phenyl]-N-(4-fluorophenyl)dibenzofuran-4-amine (PubChem CID 71126844) has the molecular formula C48H30F2N2O2 and a molecular weight of 704.78 g/mol. Its IUPAC name is N-[4-[4-(N-dibenzofuran-4-yl-4-fluoroanilino)phenyl]phenyl]-N-(4-fluorophenyl)dibenzofuran-4-amine.

Molecular Properties

Compound NameN-[4-[4-(N-dibenzofuran-4-yl-4-fluoroanilino)phenyl]phenyl]-N-(4-fluorophenyl)dibenzofuran-4-amine
PubChem CID71126844
Molecular FormulaC48H30F2N2O2
Molecular Weight704.78 g/mol
Exact Mass704.23
IUPAC NameN-[4-[4-(N-dibenzofuran-4-yl-4-fluoroanilino)phenyl]phenyl]-N-(4-fluorophenyl)dibenzofuran-4-amine
SMILESFc1ccc(N(c2ccc(-c3ccc(N(c4ccc(F)cc4)c4cccc5c4oc4ccccc45)cc3)cc2)c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C48H30F2N2O2/c49-33-19-27-37(28-20-33)51(43-11-5-9-41-39-7-1-3-13-45(39)53-47(41)43)35-23-15-31(16-24-35)32-17-25-36(26-18-32)52(38-29-21-34(50)22-30-38)44-12-6-10-42-40-8-2-4-14-46(40)54-48(42)44/h1-30H
InChIKeyXUUMUPCQQQFNDX-UHFFFAOYSA-N
XLogP14.37
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500704.78
LogP ≤ 514.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[4-[4-(N-dibenzofuran-4-yl-4-fluoroanilino)phenyl]phenyl]-N-(4-fluorophenyl)dibenzofuran-4-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(N-dibenzofuran-4-yl-4-fluoroanilino)phenyl]phenyl]-N-(4-fluorophenyl)dibenzofuran-4-amine?
The IUPAC name of N-[4-[4-(N-dibenzofuran-4-yl-4-fluoroanilino)phenyl]phenyl]-N-(4-fluorophenyl)dibenzofuran-4-amine (CID 71126844) is N-[4-[4-(N-dibenzofuran-4-yl-4-fluoroanilino)phenyl]phenyl]-N-(4-fluorophenyl)dibenzofuran-4-amine.
What is the SMILES notation for N-[4-[4-(N-dibenzofuran-4-yl-4-fluoroanilino)phenyl]phenyl]-N-(4-fluorophenyl)dibenzofuran-4-amine?
The canonical SMILES for N-[4-[4-(N-dibenzofuran-4-yl-4-fluoroanilino)phenyl]phenyl]-N-(4-fluorophenyl)dibenzofuran-4-amine is Fc1ccc(N(c2ccc(-c3ccc(N(c4ccc(F)cc4)c4cccc5c4oc4ccccc45)cc3)cc2)c2cccc3c2oc2ccccc23)cc1.
What is the InChIKey of N-[4-[4-(N-dibenzofuran-4-yl-4-fluoroanilino)phenyl]phenyl]-N-(4-fluorophenyl)dibenzofuran-4-amine?
The InChIKey is XUUMUPCQQQFNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30F2N2O2/c49-33-19-27-37(28-20-33)51(43-11-5-9-41-39-7-1-3-13-45(39)53-47(41)43)35-23-15-31(16-24-35)32-17-25-36(26-18-32)52(38-29-21-34(50)22-30-38)44-12-6-10-42-40-8-2-4-14-46(40)54-48(42)44/h1-30H.
What are the key properties of N-[4-[4-(N-dibenzofuran-4-yl-4-fluoroanilino)phenyl]phenyl]-N-(4-fluorophenyl)dibenzofuran-4-amine?
N-[4-[4-(N-dibenzofuran-4-yl-4-fluoroanilino)phenyl]phenyl]-N-(4-fluorophenyl)dibenzofuran-4-amine has a molecular weight of 704.78 g/mol, XLogP of 14.37, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(N-dibenzofuran-4-yl-4-fluoroanilino)phenyl]phenyl]-N-(4-fluorophenyl)dibenzofuran-4-amine is sourced from PubChem (CID 71126844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).