6-fluoro-N-[4-[4-(N-(6-fluorodibenzofuran-4-yl)anilino)phenyl]phenyl]-N-phenyldibenzofuran-4-amine

C48H30F2N2O2 — CID 71126827

IUPAC6-fluoro-N-[4-[4-(N-(6-fluorodibenzofuran-4-yl)anilino)phenyl]phenyl]-N-phenyldibenzofuran-4-amine
SMILESFc1cccc2c1oc1c(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccccc5)c5cccc6c5oc5c(F)cccc56)cc4)cc3)cccc12
InChIInChI=1S/C48H30F2N2O2/c49-41-19-7-15-37-39-17-9-21-43(47(39)53-45(37)41)51(33-11-3-1-4-12-33)35-27-23-31(24-28-35)32-25-29-36(30-26-32)52(34-13-5-2-6-14-34)44-22-10-18-40-38-16-8-20-42(50)46(38)54-48(40)44/h1-30H
InChIKeyLWTWIGZLHMVPKR-UHFFFAOYSA-N
MW704.78 g/mol
LogP14.37
Rot. Bonds7

About 6-fluoro-N-[4-[4-(N-(6-fluorodibenzofuran-4-yl)anilino)phenyl]phenyl]-N-phenyldibenzofuran-4-amine

6-fluoro-N-[4-[4-(N-(6-fluorodibenzofuran-4-yl)anilino)phenyl]phenyl]-N-phenyldibenzofuran-4-amine (PubChem CID 71126827) has the molecular formula C48H30F2N2O2 and a molecular weight of 704.78 g/mol. Its IUPAC name is 6-fluoro-N-[4-[4-(N-(6-fluorodibenzofuran-4-yl)anilino)phenyl]phenyl]-N-phenyldibenzofuran-4-amine.

Molecular Properties

Compound Name6-fluoro-N-[4-[4-(N-(6-fluorodibenzofuran-4-yl)anilino)phenyl]phenyl]-N-phenyldibenzofuran-4-amine
PubChem CID71126827
Molecular FormulaC48H30F2N2O2
Molecular Weight704.78 g/mol
Exact Mass704.23
IUPAC Name6-fluoro-N-[4-[4-(N-(6-fluorodibenzofuran-4-yl)anilino)phenyl]phenyl]-N-phenyldibenzofuran-4-amine
SMILESFc1cccc2c1oc1c(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccccc5)c5cccc6c5oc5c(F)cccc56)cc4)cc3)cccc12
InChIInChI=1S/C48H30F2N2O2/c49-41-19-7-15-37-39-17-9-21-43(47(39)53-45(37)41)51(33-11-3-1-4-12-33)35-27-23-31(24-28-35)32-25-29-36(30-26-32)52(34-13-5-2-6-14-34)44-22-10-18-40-38-16-8-20-42(50)46(38)54-48(40)44/h1-30H
InChIKeyLWTWIGZLHMVPKR-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 6-fluoro-N-[4-[4-(N-(6-fluorodibenzofuran-4-yl)anilino)phenyl]phenyl]-N-phenyldibenzofuran-4-amine?
The IUPAC name of 6-fluoro-N-[4-[4-(N-(6-fluorodibenzofuran-4-yl)anilino)phenyl]phenyl]-N-phenyldibenzofuran-4-amine (CID 71126827) is 6-fluoro-N-[4-[4-(N-(6-fluorodibenzofuran-4-yl)anilino)phenyl]phenyl]-N-phenyldibenzofuran-4-amine.
What is the SMILES notation for 6-fluoro-N-[4-[4-(N-(6-fluorodibenzofuran-4-yl)anilino)phenyl]phenyl]-N-phenyldibenzofuran-4-amine?
The canonical SMILES for 6-fluoro-N-[4-[4-(N-(6-fluorodibenzofuran-4-yl)anilino)phenyl]phenyl]-N-phenyldibenzofuran-4-amine is Fc1cccc2c1oc1c(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccccc5)c5cccc6c5oc5c(F)cccc56)cc4)cc3)cccc12.
What is the InChIKey of 6-fluoro-N-[4-[4-(N-(6-fluorodibenzofuran-4-yl)anilino)phenyl]phenyl]-N-phenyldibenzofuran-4-amine?
The InChIKey is LWTWIGZLHMVPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30F2N2O2/c49-41-19-7-15-37-39-17-9-21-43(47(39)53-45(37)41)51(33-11-3-1-4-12-33)35-27-23-31(24-28-35)32-25-29-36(30-26-32)52(34-13-5-2-6-14-34)44-22-10-18-40-38-16-8-20-42(50)46(38)54-48(40)44/h1-30H.
What are the key properties of 6-fluoro-N-[4-[4-(N-(6-fluorodibenzofuran-4-yl)anilino)phenyl]phenyl]-N-phenyldibenzofuran-4-amine?
6-fluoro-N-[4-[4-(N-(6-fluorodibenzofuran-4-yl)anilino)phenyl]phenyl]-N-phenyldibenzofuran-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 6-fluoro-N-[4-[4-(N-(6-fluorodibenzofuran-4-yl)anilino)phenyl]phenyl]-N-phenyldibenzofuran-4-amine is sourced from PubChem (CID 71126827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).