3-dibenzofuran-4-yl-10-[3-(3-dibenzofuran-4-yl-1,2,4-thiadiazol-5-yl)phenyl]phenothiazine

C44H25N3O2S2 — CID 146533985

IUPAC3-dibenzofuran-4-yl-10-[3-(3-dibenzofuran-4-yl-1,2,4-thiadiazol-5-yl)phenyl]phenothiazine
SMILESc1cc(-c2nc(-c3cccc4c3oc3ccccc34)ns2)cc(N2c3ccccc3Sc3cc(-c4cccc5c4oc4ccccc45)ccc32)c1
InChIInChI=1S/C44H25N3O2S2/c1-4-19-37-30(12-1)32-15-8-14-29(41(32)48-37)26-22-23-36-40(25-26)50-39-21-6-3-18-35(39)47(36)28-11-7-10-27(24-28)44-45-43(46-51-44)34-17-9-16-33-31-13-2-5-20-38(31)49-42(33)34/h1-25H
InChIKeyGIWIXANILDGVQG-UHFFFAOYSA-N
MW691.84 g/mol
LogP13.27
Rot. Bonds4

About 3-dibenzofuran-4-yl-10-[3-(3-dibenzofuran-4-yl-1,2,4-thiadiazol-5-yl)phenyl]phenothiazine

3-dibenzofuran-4-yl-10-[3-(3-dibenzofuran-4-yl-1,2,4-thiadiazol-5-yl)phenyl]phenothiazine (PubChem CID 146533985) has the molecular formula C44H25N3O2S2 and a molecular weight of 691.84 g/mol. Its IUPAC name is 3-dibenzofuran-4-yl-10-[3-(3-dibenzofuran-4-yl-1,2,4-thiadiazol-5-yl)phenyl]phenothiazine.

Molecular Properties

Compound Name3-dibenzofuran-4-yl-10-[3-(3-dibenzofuran-4-yl-1,2,4-thiadiazol-5-yl)phenyl]phenothiazine
PubChem CID146533985
Molecular FormulaC44H25N3O2S2
Molecular Weight691.84 g/mol
Exact Mass691.14
IUPAC Name3-dibenzofuran-4-yl-10-[3-(3-dibenzofuran-4-yl-1,2,4-thiadiazol-5-yl)phenyl]phenothiazine
SMILESc1cc(-c2nc(-c3cccc4c3oc3ccccc34)ns2)cc(N2c3ccccc3Sc3cc(-c4cccc5c4oc4ccccc45)ccc32)c1
InChIInChI=1S/C44H25N3O2S2/c1-4-19-37-30(12-1)32-15-8-14-29(41(32)48-37)26-22-23-36-40(25-26)50-39-21-6-3-18-35(39)47(36)28-11-7-10-27(24-28)44-45-43(46-51-44)34-17-9-16-33-31-13-2-5-20-38(31)49-42(33)34/h1-25H
InChIKeyGIWIXANILDGVQG-UHFFFAOYSA-N
XLogP13.27
TPSA55.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500691.84
LogP ≤ 513.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-dibenzofuran-4-yl-10-[3-(3-dibenzofuran-4-yl-1,2,4-thiadiazol-5-yl)phenyl]phenothiazine with MolForge

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Related Compounds

10-[4-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenothiazine
CID 118528475
3-naphthalen-2-yl-10-[3-[3-(3-naphthalen-1-ylphenyl)-1,2,4-thiadiazol-5-yl]phenyl]phenothiazine
CID 146533825
18,24-di(dibenzofuran-4-yl)-21-thia-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene
CID 134509818
11-(3-phenothiazin-10-ylphenyl)-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene
CID 138513117
4-(3-dibenzofuran-4-yl-1,2,4-thiadiazol-5-yl)-N,N-diphenylaniline
CID 146533738
3-(4-dibenzofuran-2-ylquinolin-2-yl)-10-(4-phenylphenyl)phenothiazine
CID 147850677
10-phenyl-4-(5-triphenylen-1-yl-1,2,4-thiadiazol-3-yl)phenothiazine
CID 146533608
10-dibenzofuran-4-yl-3-[3-[9-(4-phenylquinazolin-2-yl)carbazol-2-yl]phenyl]phenothiazine
CID 134475897
11-[14-(3-dibenzofuran-4-ylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-11-yl]-14-(2,3,4,5,6-pentadeuteriophenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene
CID 122659783
2-(4-dibenzofuran-4-ylphenyl)-4-phenyl-6-spiro[fluorene-9,9'-thioxanthene]-1'-yl-1,3,5-triazine
CID 166737827
2-(4-dibenzofuran-4-ylphenyl)-4-phenyl-6-(2-spiro[fluorene-9,9'-thioxanthene]-3'-ylphenyl)-1,3,5-triazine
CID 166738136
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

Frequently Asked Questions

What is the IUPAC name of 3-dibenzofuran-4-yl-10-[3-(3-dibenzofuran-4-yl-1,2,4-thiadiazol-5-yl)phenyl]phenothiazine?
The IUPAC name of 3-dibenzofuran-4-yl-10-[3-(3-dibenzofuran-4-yl-1,2,4-thiadiazol-5-yl)phenyl]phenothiazine (CID 146533985) is 3-dibenzofuran-4-yl-10-[3-(3-dibenzofuran-4-yl-1,2,4-thiadiazol-5-yl)phenyl]phenothiazine.
What is the SMILES notation for 3-dibenzofuran-4-yl-10-[3-(3-dibenzofuran-4-yl-1,2,4-thiadiazol-5-yl)phenyl]phenothiazine?
The canonical SMILES for 3-dibenzofuran-4-yl-10-[3-(3-dibenzofuran-4-yl-1,2,4-thiadiazol-5-yl)phenyl]phenothiazine is c1cc(-c2nc(-c3cccc4c3oc3ccccc34)ns2)cc(N2c3ccccc3Sc3cc(-c4cccc5c4oc4ccccc45)ccc32)c1.
What is the InChIKey of 3-dibenzofuran-4-yl-10-[3-(3-dibenzofuran-4-yl-1,2,4-thiadiazol-5-yl)phenyl]phenothiazine?
The InChIKey is GIWIXANILDGVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H25N3O2S2/c1-4-19-37-30(12-1)32-15-8-14-29(41(32)48-37)26-22-23-36-40(25-26)50-39-21-6-3-18-35(39)47(36)28-11-7-10-27(24-28)44-45-43(46-51-44)34-17-9-16-33-31-13-2-5-20-38(31)49-42(33)34/h1-25H.
What are the key properties of 3-dibenzofuran-4-yl-10-[3-(3-dibenzofuran-4-yl-1,2,4-thiadiazol-5-yl)phenyl]phenothiazine?
3-dibenzofuran-4-yl-10-[3-(3-dibenzofuran-4-yl-1,2,4-thiadiazol-5-yl)phenyl]phenothiazine has a molecular weight of 691.84 g/mol, XLogP of 13.27, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzofuran-4-yl-10-[3-(3-dibenzofuran-4-yl-1,2,4-thiadiazol-5-yl)phenyl]phenothiazine is sourced from PubChem (CID 146533985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).