10-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-2-fluoro-7,9,9-triphenylacridine

C55H36FNS — CID 71003885

IUPAC10-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-2-fluoro-7,9,9-triphenylacridine
SMILESFc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(-c3ccccc3)ccc1N2c1cccc(-c2cccc(-c3ccc4sc5ccccc5c4c3)c2)c1
InChIInChI=1S/C55H36FNS/c56-45-28-30-52-50(36-45)55(43-19-6-2-7-20-43,44-21-8-3-9-22-44)49-35-42(37-14-4-1-5-15-37)26-29-51(49)57(52)46-23-13-18-40(33-46)38-16-12-17-39(32-38)41-27-31-54-48(34-41)47-24-10-11-25-53(47)58-54/h1-36H
InChIKeyFRYNOROWRYNJCF-UHFFFAOYSA-N
MW761.97 g/mol
LogP15.36
Rot. Bonds6

About 10-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-2-fluoro-7,9,9-triphenylacridine

10-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-2-fluoro-7,9,9-triphenylacridine (PubChem CID 71003885) has the molecular formula C55H36FNS and a molecular weight of 761.97 g/mol. Its IUPAC name is 10-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-2-fluoro-7,9,9-triphenylacridine.

Molecular Properties

Compound Name10-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-2-fluoro-7,9,9-triphenylacridine
PubChem CID71003885
Molecular FormulaC55H36FNS
Molecular Weight761.97 g/mol
Exact Mass761.26
IUPAC Name10-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-2-fluoro-7,9,9-triphenylacridine
SMILESFc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(-c3ccccc3)ccc1N2c1cccc(-c2cccc(-c3ccc4sc5ccccc5c4c3)c2)c1
InChIInChI=1S/C55H36FNS/c56-45-28-30-52-50(36-45)55(43-19-6-2-7-20-43,44-21-8-3-9-22-44)49-35-42(37-14-4-1-5-15-37)26-29-51(49)57(52)46-23-13-18-40(33-46)38-16-12-17-39(32-38)41-27-31-54-48(34-41)47-24-10-11-25-53(47)58-54/h1-36H
InChIKeyFRYNOROWRYNJCF-UHFFFAOYSA-N
XLogP15.36
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500761.97
LogP ≤ 515.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 10-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-2-fluoro-7,9,9-triphenylacridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-2-fluoro-7,9,9-triphenylacridine?
The IUPAC name of 10-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-2-fluoro-7,9,9-triphenylacridine (CID 71003885) is 10-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-2-fluoro-7,9,9-triphenylacridine.
What is the SMILES notation for 10-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-2-fluoro-7,9,9-triphenylacridine?
The canonical SMILES for 10-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-2-fluoro-7,9,9-triphenylacridine is Fc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(-c3ccccc3)ccc1N2c1cccc(-c2cccc(-c3ccc4sc5ccccc5c4c3)c2)c1.
What is the InChIKey of 10-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-2-fluoro-7,9,9-triphenylacridine?
The InChIKey is FRYNOROWRYNJCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H36FNS/c56-45-28-30-52-50(36-45)55(43-19-6-2-7-20-43,44-21-8-3-9-22-44)49-35-42(37-14-4-1-5-15-37)26-29-51(49)57(52)46-23-13-18-40(33-46)38-16-12-17-39(32-38)41-27-31-54-48(34-41)47-24-10-11-25-53(47)58-54/h1-36H.
What are the key properties of 10-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-2-fluoro-7,9,9-triphenylacridine?
10-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-2-fluoro-7,9,9-triphenylacridine has a molecular weight of 761.97 g/mol, XLogP of 15.36, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-2-fluoro-7,9,9-triphenylacridine is sourced from PubChem (CID 71003885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).