8-fluoro-N-[4-[4-(N-(8-fluorodibenzofuran-2-yl)anilino)phenyl]phenyl]-N-phenyldibenzofuran-2-amine

C48H30F2N2O2 — CID 71126841

IUPAC8-fluoro-N-[4-[4-(N-(8-fluorodibenzofuran-2-yl)anilino)phenyl]phenyl]-N-phenyldibenzofuran-2-amine
SMILESFc1ccc2oc3ccc(N(c4ccccc4)c4ccc(-c5ccc(N(c6ccccc6)c6ccc7oc8ccc(F)cc8c7c6)cc5)cc4)cc3c2c1
InChIInChI=1S/C48H30F2N2O2/c49-33-15-23-45-41(27-33)43-29-39(21-25-47(43)53-45)51(35-7-3-1-4-8-35)37-17-11-31(12-18-37)32-13-19-38(20-14-32)52(36-9-5-2-6-10-36)40-22-26-48-44(30-40)42-28-34(50)16-24-46(42)54-48/h1-30H
InChIKeyMMWHTUDWNWGKNA-UHFFFAOYSA-N
MW704.78 g/mol
LogP14.37
Rot. Bonds7

About 8-fluoro-N-[4-[4-(N-(8-fluorodibenzofuran-2-yl)anilino)phenyl]phenyl]-N-phenyldibenzofuran-2-amine

8-fluoro-N-[4-[4-(N-(8-fluorodibenzofuran-2-yl)anilino)phenyl]phenyl]-N-phenyldibenzofuran-2-amine (PubChem CID 71126841) has the molecular formula C48H30F2N2O2 and a molecular weight of 704.78 g/mol. Its IUPAC name is 8-fluoro-N-[4-[4-(N-(8-fluorodibenzofuran-2-yl)anilino)phenyl]phenyl]-N-phenyldibenzofuran-2-amine.

Molecular Properties

Compound Name8-fluoro-N-[4-[4-(N-(8-fluorodibenzofuran-2-yl)anilino)phenyl]phenyl]-N-phenyldibenzofuran-2-amine
PubChem CID71126841
Molecular FormulaC48H30F2N2O2
Molecular Weight704.78 g/mol
Exact Mass704.23
IUPAC Name8-fluoro-N-[4-[4-(N-(8-fluorodibenzofuran-2-yl)anilino)phenyl]phenyl]-N-phenyldibenzofuran-2-amine
SMILESFc1ccc2oc3ccc(N(c4ccccc4)c4ccc(-c5ccc(N(c6ccccc6)c6ccc7oc8ccc(F)cc8c7c6)cc5)cc4)cc3c2c1
InChIInChI=1S/C48H30F2N2O2/c49-33-15-23-45-41(27-33)43-29-39(21-25-47(43)53-45)51(35-7-3-1-4-8-35)37-17-11-31(12-18-37)32-13-19-38(20-14-32)52(36-9-5-2-6-10-36)40-22-26-48-44(30-40)42-28-34(50)16-24-46(42)54-48/h1-30H
InChIKeyMMWHTUDWNWGKNA-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

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-N-[4-[4-(N-(8-fluorodibenzofuran-2-yl)anilino)phenyl]phenyl]-N-phenyldibenzofuran-2-amine?
The IUPAC name of 8-fluoro-N-[4-[4-(N-(8-fluorodibenzofuran-2-yl)anilino)phenyl]phenyl]-N-phenyldibenzofuran-2-amine (CID 71126841) is 8-fluoro-N-[4-[4-(N-(8-fluorodibenzofuran-2-yl)anilino)phenyl]phenyl]-N-phenyldibenzofuran-2-amine.
What is the SMILES notation for 8-fluoro-N-[4-[4-(N-(8-fluorodibenzofuran-2-yl)anilino)phenyl]phenyl]-N-phenyldibenzofuran-2-amine?
The canonical SMILES for 8-fluoro-N-[4-[4-(N-(8-fluorodibenzofuran-2-yl)anilino)phenyl]phenyl]-N-phenyldibenzofuran-2-amine is Fc1ccc2oc3ccc(N(c4ccccc4)c4ccc(-c5ccc(N(c6ccccc6)c6ccc7oc8ccc(F)cc8c7c6)cc5)cc4)cc3c2c1.
What is the InChIKey of 8-fluoro-N-[4-[4-(N-(8-fluorodibenzofuran-2-yl)anilino)phenyl]phenyl]-N-phenyldibenzofuran-2-amine?
The InChIKey is MMWHTUDWNWGKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30F2N2O2/c49-33-15-23-45-41(27-33)43-29-39(21-25-47(43)53-45)51(35-7-3-1-4-8-35)37-17-11-31(12-18-37)32-13-19-38(20-14-32)52(36-9-5-2-6-10-36)40-22-26-48-44(30-40)42-28-34(50)16-24-46(42)54-48/h1-30H.
What are the key properties of 8-fluoro-N-[4-[4-(N-(8-fluorodibenzofuran-2-yl)anilino)phenyl]phenyl]-N-phenyldibenzofuran-2-amine?
8-fluoro-N-[4-[4-(N-(8-fluorodibenzofuran-2-yl)anilino)phenyl]phenyl]-N-phenyldibenzofuran-2-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 8-fluoro-N-[4-[4-(N-(8-fluorodibenzofuran-2-yl)anilino)phenyl]phenyl]-N-phenyldibenzofuran-2-amine is sourced from PubChem (CID 71126841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).