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

C49H32FNS — CID 71003987

IUPAC2-dibenzothiophen-2-yl-7-fluoro-9,9-diphenyl-10-(4-phenylphenyl)acridine
SMILESFc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(-c3ccc4sc5ccccc5c4c3)ccc1N2c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C49H32FNS/c50-39-24-28-46-44(32-39)49(37-14-6-2-7-15-37,38-16-8-3-9-17-38)43-31-36(35-23-29-48-42(30-35)41-18-10-11-19-47(41)52-48)22-27-45(43)51(46)40-25-20-34(21-26-40)33-12-4-1-5-13-33/h1-32H
InChIKeyUBRVAXWOSYLSKI-UHFFFAOYSA-N
MW685.87 g/mol
LogP13.69
Rot. Bonds5

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

2-dibenzothiophen-2-yl-7-fluoro-9,9-diphenyl-10-(4-phenylphenyl)acridine (PubChem CID 71003987) has the molecular formula C49H32FNS and a molecular weight of 685.87 g/mol. Its IUPAC name is 2-dibenzothiophen-2-yl-7-fluoro-9,9-diphenyl-10-(4-phenylphenyl)acridine.

Molecular Properties

Compound Name2-dibenzothiophen-2-yl-7-fluoro-9,9-diphenyl-10-(4-phenylphenyl)acridine
PubChem CID71003987
Molecular FormulaC49H32FNS
Molecular Weight685.87 g/mol
Exact Mass685.22
IUPAC Name2-dibenzothiophen-2-yl-7-fluoro-9,9-diphenyl-10-(4-phenylphenyl)acridine
SMILESFc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(-c3ccc4sc5ccccc5c4c3)ccc1N2c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C49H32FNS/c50-39-24-28-46-44(32-39)49(37-14-6-2-7-15-37,38-16-8-3-9-17-38)43-31-36(35-23-29-48-42(30-35)41-18-10-11-19-47(41)52-48)22-27-45(43)51(46)40-25-20-34(21-26-40)33-12-4-1-5-13-33/h1-32H
InChIKeyUBRVAXWOSYLSKI-UHFFFAOYSA-N
XLogP13.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500685.87
LogP ≤ 513.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-2-yl-7-fluoro-9,9-diphenyl-10-(4-phenylphenyl)acridine?
The IUPAC name of 2-dibenzothiophen-2-yl-7-fluoro-9,9-diphenyl-10-(4-phenylphenyl)acridine (CID 71003987) is 2-dibenzothiophen-2-yl-7-fluoro-9,9-diphenyl-10-(4-phenylphenyl)acridine.
What is the SMILES notation for 2-dibenzothiophen-2-yl-7-fluoro-9,9-diphenyl-10-(4-phenylphenyl)acridine?
The canonical SMILES for 2-dibenzothiophen-2-yl-7-fluoro-9,9-diphenyl-10-(4-phenylphenyl)acridine is Fc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(-c3ccc4sc5ccccc5c4c3)ccc1N2c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-dibenzothiophen-2-yl-7-fluoro-9,9-diphenyl-10-(4-phenylphenyl)acridine?
The InChIKey is UBRVAXWOSYLSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32FNS/c50-39-24-28-46-44(32-39)49(37-14-6-2-7-15-37,38-16-8-3-9-17-38)43-31-36(35-23-29-48-42(30-35)41-18-10-11-19-47(41)52-48)22-27-45(43)51(46)40-25-20-34(21-26-40)33-12-4-1-5-13-33/h1-32H.
What are the key properties of 2-dibenzothiophen-2-yl-7-fluoro-9,9-diphenyl-10-(4-phenylphenyl)acridine?
2-dibenzothiophen-2-yl-7-fluoro-9,9-diphenyl-10-(4-phenylphenyl)acridine has a molecular weight of 685.87 g/mol, XLogP of 13.69, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-2-yl-7-fluoro-9,9-diphenyl-10-(4-phenylphenyl)acridine is sourced from PubChem (CID 71003987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).