3-dibenzofuran-2-yl-7-fluoro-10-(4-phenylphenyl)phenothiazine

C36H22FNOS — CID 71003998

IUPAC3-dibenzofuran-2-yl-7-fluoro-10-(4-phenylphenyl)phenothiazine
SMILESFc1ccc2c(c1)Sc1cc(-c3ccc4oc5ccccc5c4c3)ccc1N2c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C36H22FNOS/c37-27-14-18-32-36(22-27)40-35-21-26(25-13-19-34-30(20-25)29-8-4-5-9-33(29)39-34)12-17-31(35)38(32)28-15-10-24(11-16-28)23-6-2-1-3-7-23/h1-22H
InChIKeyKLKUZWJSZBGDCK-UHFFFAOYSA-N
MW535.64 g/mol
LogP10.99
Rot. Bonds3

About 3-dibenzofuran-2-yl-7-fluoro-10-(4-phenylphenyl)phenothiazine

3-dibenzofuran-2-yl-7-fluoro-10-(4-phenylphenyl)phenothiazine (PubChem CID 71003998) has the molecular formula C36H22FNOS and a molecular weight of 535.64 g/mol. Its IUPAC name is 3-dibenzofuran-2-yl-7-fluoro-10-(4-phenylphenyl)phenothiazine.

Molecular Properties

Compound Name3-dibenzofuran-2-yl-7-fluoro-10-(4-phenylphenyl)phenothiazine
PubChem CID71003998
Molecular FormulaC36H22FNOS
Molecular Weight535.64 g/mol
Exact Mass535.14
IUPAC Name3-dibenzofuran-2-yl-7-fluoro-10-(4-phenylphenyl)phenothiazine
SMILESFc1ccc2c(c1)Sc1cc(-c3ccc4oc5ccccc5c4c3)ccc1N2c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C36H22FNOS/c37-27-14-18-32-36(22-27)40-35-21-26(25-13-19-34-30(20-25)29-8-4-5-9-33(29)39-34)12-17-31(35)38(32)28-15-10-24(11-16-28)23-6-2-1-3-7-23/h1-22H
InChIKeyKLKUZWJSZBGDCK-UHFFFAOYSA-N
XLogP10.99
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.64
LogP ≤ 510.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-fluorophenyl)-7-phenyl-10-(4-phenylphenyl)phenothiazine
CID 71004008
2-dibenzofuran-2-yl-10-[4-(4-fluorophenyl)phenyl]-9,9-dimethyl-7-phenylacridine
CID 71003823
3-(4-dibenzofuran-2-ylquinolin-2-yl)-10-(4-phenylphenyl)phenothiazine
CID 147850677
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-10-(3-phenylphenyl)phenothiazine
CID 134475884
10-(4-dibenzofuran-2-ylnaphthalen-1-yl)-3,7-diphenylphenothiazine;10-(4-dibenzofuran-2-ylnaphthalen-1-yl)phenothiazine;10-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-3-methyl-7-phenylphenothiazine;10-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-3-naphthalen-1-yl-7-phenylphenothiazine
CID 160914738
10-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenothiazine;10-[4-[4-(4,6-diphenylpyrimidin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenothiazine;10-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenothiazine
CID 159949835
2-[4-[4-(3-fluorophenyl)phenyl]phenyl]dibenzofuran
CID 171056558
2-(8-phenoxazin-10-yl-10-phenylphenothiazin-3-yl)xanthen-9-one
CID 142288504
2,8-di(dibenzofuran-2-yl)-10-phenylphenoxazine
CID 126612197
1-chloro-7-dibenzofuran-2-yl-10-naphthalen-1-ylphenothiazine
CID 153305766
2,8-di(dibenzofuran-3-yl)-10-(4-phenylphenyl)phenoxazine
CID 126612202
2-[4-[6-(4-fluorophenyl)naphthalen-2-yl]phenyl]dibenzofuran
CID 169293505

Frequently Asked Questions

What is the IUPAC name of 3-dibenzofuran-2-yl-7-fluoro-10-(4-phenylphenyl)phenothiazine?
The IUPAC name of 3-dibenzofuran-2-yl-7-fluoro-10-(4-phenylphenyl)phenothiazine (CID 71003998) is 3-dibenzofuran-2-yl-7-fluoro-10-(4-phenylphenyl)phenothiazine.
What is the SMILES notation for 3-dibenzofuran-2-yl-7-fluoro-10-(4-phenylphenyl)phenothiazine?
The canonical SMILES for 3-dibenzofuran-2-yl-7-fluoro-10-(4-phenylphenyl)phenothiazine is Fc1ccc2c(c1)Sc1cc(-c3ccc4oc5ccccc5c4c3)ccc1N2c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 3-dibenzofuran-2-yl-7-fluoro-10-(4-phenylphenyl)phenothiazine?
The InChIKey is KLKUZWJSZBGDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22FNOS/c37-27-14-18-32-36(22-27)40-35-21-26(25-13-19-34-30(20-25)29-8-4-5-9-33(29)39-34)12-17-31(35)38(32)28-15-10-24(11-16-28)23-6-2-1-3-7-23/h1-22H.
What are the key properties of 3-dibenzofuran-2-yl-7-fluoro-10-(4-phenylphenyl)phenothiazine?
3-dibenzofuran-2-yl-7-fluoro-10-(4-phenylphenyl)phenothiazine has a molecular weight of 535.64 g/mol, XLogP of 10.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzofuran-2-yl-7-fluoro-10-(4-phenylphenyl)phenothiazine is sourced from PubChem (CID 71003998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).