5-chloro-3-dibenzofuran-3-yl-9-(2-phenylphenyl)thioxanthen-9-ol

C37H23ClO2S — CID 155763682

IUPAC5-chloro-3-dibenzofuran-3-yl-9-(2-phenylphenyl)thioxanthen-9-ol
SMILESOC1(c2ccccc2-c2ccccc2)c2ccc(-c3ccc4c(c3)oc3ccccc34)cc2Sc2c(Cl)cccc21
InChIInChI=1S/C37H23ClO2S/c38-32-15-8-14-31-36(32)41-35-22-25(24-17-19-28-27-12-5-7-16-33(27)40-34(28)21-24)18-20-30(35)37(31,39)29-13-6-4-11-26(29)23-9-2-1-3-10-23/h1-22,39H
InChIKeyAXWOTSLYFDYBQO-UHFFFAOYSA-N
MW567.11 g/mol
LogP10.32
Rot. Bonds3

About 5-chloro-3-dibenzofuran-3-yl-9-(2-phenylphenyl)thioxanthen-9-ol

5-chloro-3-dibenzofuran-3-yl-9-(2-phenylphenyl)thioxanthen-9-ol (PubChem CID 155763682) has the molecular formula C37H23ClO2S and a molecular weight of 567.11 g/mol. Its IUPAC name is 5-chloro-3-dibenzofuran-3-yl-9-(2-phenylphenyl)thioxanthen-9-ol.

Molecular Properties

Compound Name5-chloro-3-dibenzofuran-3-yl-9-(2-phenylphenyl)thioxanthen-9-ol
PubChem CID155763682
Molecular FormulaC37H23ClO2S
Molecular Weight567.11 g/mol
Exact Mass566.11
IUPAC Name5-chloro-3-dibenzofuran-3-yl-9-(2-phenylphenyl)thioxanthen-9-ol
SMILESOC1(c2ccccc2-c2ccccc2)c2ccc(-c3ccc4c(c3)oc3ccccc34)cc2Sc2c(Cl)cccc21
InChIInChI=1S/C37H23ClO2S/c38-32-15-8-14-31-36(32)41-35-22-25(24-17-19-28-27-12-5-7-16-33(27)40-34(28)21-24)18-20-30(35)37(31,39)29-13-6-4-11-26(29)23-9-2-1-3-10-23/h1-22,39H
InChIKeyAXWOTSLYFDYBQO-UHFFFAOYSA-N
XLogP10.32
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.11
LogP ≤ 510.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5'-chlorospiro[fluorene-9,9'-thioxanthene]-3'-yl)dibenzofuran
CID 155483429
3-(2-chloro-6-phenylphenyl)dibenzofuran
CID 170666298
3-(2-chlorophenyl)dibenzofuran
CID 138667405
11-bromo-14-(2-dibenzofuran-3-ylphenyl)tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-14-ol
CID 130463554
9-(5-chloro-2-dibenzofuran-3-ylphenyl)-10,10-dimethylanthracen-9-ol
CID 142752896
N,N-bis(4-dibenzofuran-3-ylphenyl)-3-(2-phenylphenyl)aniline
CID 129130047
7-[10-(2-phenylphenyl)anthracen-9-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 170654309
2-(4-dibenzofuran-4-ylphenyl)-4-phenyl-6-spiro[fluorene-9,9'-thioxanthene]-3'-yl-1,3,5-triazine
CID 142469829
2-(2-chlorophenyl)-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine
CID 166741775
2-chloro-3-phenyldibenzofuran
CID 166918311
N-(4-dibenzofuran-3-ylphenyl)-N-[4-[4-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-4-phenylaniline
CID 168839392
N-(3-phenylphenyl)-N-[4-[4-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine;N-(4-phenylphenyl)-N-[3-[4-(4-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine;N-(4-phenylphenyl)-N-[4-[3-(4-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 158679681

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-dibenzofuran-3-yl-9-(2-phenylphenyl)thioxanthen-9-ol?
The IUPAC name of 5-chloro-3-dibenzofuran-3-yl-9-(2-phenylphenyl)thioxanthen-9-ol (CID 155763682) is 5-chloro-3-dibenzofuran-3-yl-9-(2-phenylphenyl)thioxanthen-9-ol.
What is the SMILES notation for 5-chloro-3-dibenzofuran-3-yl-9-(2-phenylphenyl)thioxanthen-9-ol?
The canonical SMILES for 5-chloro-3-dibenzofuran-3-yl-9-(2-phenylphenyl)thioxanthen-9-ol is OC1(c2ccccc2-c2ccccc2)c2ccc(-c3ccc4c(c3)oc3ccccc34)cc2Sc2c(Cl)cccc21.
What is the InChIKey of 5-chloro-3-dibenzofuran-3-yl-9-(2-phenylphenyl)thioxanthen-9-ol?
The InChIKey is AXWOTSLYFDYBQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H23ClO2S/c38-32-15-8-14-31-36(32)41-35-22-25(24-17-19-28-27-12-5-7-16-33(27)40-34(28)21-24)18-20-30(35)37(31,39)29-13-6-4-11-26(29)23-9-2-1-3-10-23/h1-22,39H.
What are the key properties of 5-chloro-3-dibenzofuran-3-yl-9-(2-phenylphenyl)thioxanthen-9-ol?
5-chloro-3-dibenzofuran-3-yl-9-(2-phenylphenyl)thioxanthen-9-ol has a molecular weight of 567.11 g/mol, XLogP of 10.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-dibenzofuran-3-yl-9-(2-phenylphenyl)thioxanthen-9-ol is sourced from PubChem (CID 155763682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).