N-[4-[10-(3-fluorophenyl)phenoxazin-3-yl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine

C48H31FN2O2 — CID 90193197

IUPACN-[4-[10-(3-fluorophenyl)phenoxazin-3-yl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
SMILESFc1cccc(N2c3ccccc3Oc3cc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc6c(c5)oc5ccccc56)cc4)ccc32)c1
InChIInChI=1S/C48H31FN2O2/c49-36-11-8-12-39(30-36)51-43-14-5-7-16-46(43)53-48-29-35(21-28-44(48)51)34-19-24-38(25-20-34)50(37-22-17-33(18-23-37)32-9-2-1-3-10-32)40-26-27-42-41-13-4-6-15-45(41)52-47(42)31-40/h1-31H
InChIKeyDGYGSLUZQNWLFF-UHFFFAOYSA-N
MW686.79 g/mol
LogP14.10
Rot. Bonds6

About N-[4-[10-(3-fluorophenyl)phenoxazin-3-yl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine

N-[4-[10-(3-fluorophenyl)phenoxazin-3-yl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine (PubChem CID 90193197) has the molecular formula C48H31FN2O2 and a molecular weight of 686.79 g/mol. Its IUPAC name is N-[4-[10-(3-fluorophenyl)phenoxazin-3-yl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine.

Molecular Properties

Compound NameN-[4-[10-(3-fluorophenyl)phenoxazin-3-yl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
PubChem CID90193197
Molecular FormulaC48H31FN2O2
Molecular Weight686.79 g/mol
Exact Mass686.24
IUPAC NameN-[4-[10-(3-fluorophenyl)phenoxazin-3-yl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
SMILESFc1cccc(N2c3ccccc3Oc3cc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc6c(c5)oc5ccccc56)cc4)ccc32)c1
InChIInChI=1S/C48H31FN2O2/c49-36-11-8-12-39(30-36)51-43-14-5-7-16-46(43)53-48-29-35(21-28-44(48)51)34-19-24-38(25-20-34)50(37-22-17-33(18-23-37)32-9-2-1-3-10-32)40-26-27-42-41-13-4-6-15-45(41)52-47(42)31-40/h1-31H
InChIKeyDGYGSLUZQNWLFF-UHFFFAOYSA-N
XLogP14.10
TPSA28.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500686.79
LogP ≤ 514.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[10-(3-fluorophenyl)phenoxazin-3-yl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine?
The IUPAC name of N-[4-[10-(3-fluorophenyl)phenoxazin-3-yl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine (CID 90193197) is N-[4-[10-(3-fluorophenyl)phenoxazin-3-yl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine.
What is the SMILES notation for N-[4-[10-(3-fluorophenyl)phenoxazin-3-yl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine?
The canonical SMILES for N-[4-[10-(3-fluorophenyl)phenoxazin-3-yl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine is Fc1cccc(N2c3ccccc3Oc3cc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc6c(c5)oc5ccccc56)cc4)ccc32)c1.
What is the InChIKey of N-[4-[10-(3-fluorophenyl)phenoxazin-3-yl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine?
The InChIKey is DGYGSLUZQNWLFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31FN2O2/c49-36-11-8-12-39(30-36)51-43-14-5-7-16-46(43)53-48-29-35(21-28-44(48)51)34-19-24-38(25-20-34)50(37-22-17-33(18-23-37)32-9-2-1-3-10-32)40-26-27-42-41-13-4-6-15-45(41)52-47(42)31-40/h1-31H.
What are the key properties of N-[4-[10-(3-fluorophenyl)phenoxazin-3-yl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine?
N-[4-[10-(3-fluorophenyl)phenoxazin-3-yl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine has a molecular weight of 686.79 g/mol, XLogP of 14.10, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[10-(3-fluorophenyl)phenoxazin-3-yl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine is sourced from PubChem (CID 90193197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).