2-(3-dibenzothiophen-2-ylphenyl)-7-fluoro-9,9-diphenyl-10-(4-phenylphenyl)acridine

C55H36FNS — CID 71003879

IUPAC2-(3-dibenzothiophen-2-ylphenyl)-7-fluoro-9,9-diphenyl-10-(4-phenylphenyl)acridine
SMILESFc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(-c3cccc(-c4ccc5sc6ccccc6c5c4)c3)ccc1N2c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C55H36FNS/c56-45-27-31-52-50(36-45)55(43-17-6-2-7-18-43,44-19-8-3-9-20-44)49-35-42(25-30-51(49)57(52)46-28-23-38(24-29-46)37-13-4-1-5-14-37)40-16-12-15-39(33-40)41-26-32-54-48(34-41)47-21-10-11-22-53(47)58-54/h1-36H
InChIKeyKYIHTCXXXGCKHJ-UHFFFAOYSA-N
MW761.97 g/mol
LogP15.36
Rot. Bonds6

About 2-(3-dibenzothiophen-2-ylphenyl)-7-fluoro-9,9-diphenyl-10-(4-phenylphenyl)acridine

2-(3-dibenzothiophen-2-ylphenyl)-7-fluoro-9,9-diphenyl-10-(4-phenylphenyl)acridine (PubChem CID 71003879) has the molecular formula C55H36FNS and a molecular weight of 761.97 g/mol. Its IUPAC name is 2-(3-dibenzothiophen-2-ylphenyl)-7-fluoro-9,9-diphenyl-10-(4-phenylphenyl)acridine.

Molecular Properties

Compound Name2-(3-dibenzothiophen-2-ylphenyl)-7-fluoro-9,9-diphenyl-10-(4-phenylphenyl)acridine
PubChem CID71003879
Molecular FormulaC55H36FNS
Molecular Weight761.97 g/mol
Exact Mass761.26
IUPAC Name2-(3-dibenzothiophen-2-ylphenyl)-7-fluoro-9,9-diphenyl-10-(4-phenylphenyl)acridine
SMILESFc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(-c3cccc(-c4ccc5sc6ccccc6c5c4)c3)ccc1N2c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C55H36FNS/c56-45-27-31-52-50(36-45)55(43-17-6-2-7-18-43,44-19-8-3-9-20-44)49-35-42(25-30-51(49)57(52)46-28-23-38(24-29-46)37-13-4-1-5-14-37)40-16-12-15-39(33-40)41-26-32-54-48(34-41)47-21-10-11-22-53(47)58-54/h1-36H
InChIKeyKYIHTCXXXGCKHJ-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 2-(3-dibenzothiophen-2-ylphenyl)-7-fluoro-9,9-diphenyl-10-(4-phenylphenyl)acridine 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 2-(3-dibenzothiophen-2-ylphenyl)-7-fluoro-9,9-diphenyl-10-(4-phenylphenyl)acridine?
The IUPAC name of 2-(3-dibenzothiophen-2-ylphenyl)-7-fluoro-9,9-diphenyl-10-(4-phenylphenyl)acridine (CID 71003879) is 2-(3-dibenzothiophen-2-ylphenyl)-7-fluoro-9,9-diphenyl-10-(4-phenylphenyl)acridine.
What is the SMILES notation for 2-(3-dibenzothiophen-2-ylphenyl)-7-fluoro-9,9-diphenyl-10-(4-phenylphenyl)acridine?
The canonical SMILES for 2-(3-dibenzothiophen-2-ylphenyl)-7-fluoro-9,9-diphenyl-10-(4-phenylphenyl)acridine is Fc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(-c3cccc(-c4ccc5sc6ccccc6c5c4)c3)ccc1N2c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-(3-dibenzothiophen-2-ylphenyl)-7-fluoro-9,9-diphenyl-10-(4-phenylphenyl)acridine?
The InChIKey is KYIHTCXXXGCKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H36FNS/c56-45-27-31-52-50(36-45)55(43-17-6-2-7-18-43,44-19-8-3-9-20-44)49-35-42(25-30-51(49)57(52)46-28-23-38(24-29-46)37-13-4-1-5-14-37)40-16-12-15-39(33-40)41-26-32-54-48(34-41)47-21-10-11-22-53(47)58-54/h1-36H.
What are the key properties of 2-(3-dibenzothiophen-2-ylphenyl)-7-fluoro-9,9-diphenyl-10-(4-phenylphenyl)acridine?
2-(3-dibenzothiophen-2-ylphenyl)-7-fluoro-9,9-diphenyl-10-(4-phenylphenyl)acridine 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 2-(3-dibenzothiophen-2-ylphenyl)-7-fluoro-9,9-diphenyl-10-(4-phenylphenyl)acridine is sourced from PubChem (CID 71003879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).