3-(5'-chlorospiro[fluorene-9,9'-thioxanthene]-3'-yl)dibenzofuran

C37H21ClOS — CID 155483429

IUPAC3-(5'-chlorospiro[fluorene-9,9'-thioxanthene]-3'-yl)dibenzofuran
SMILESClc1cccc2c1Sc1cc(-c3ccc4c(c3)oc3ccccc34)ccc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C37H21ClOS/c38-32-14-7-13-31-36(32)40-35-21-23(22-16-18-27-26-10-3-6-15-33(26)39-34(27)20-22)17-19-30(35)37(31)28-11-4-1-8-24(28)25-9-2-5-12-29(25)37/h1-21H
InChIKeyRJCLBFNRXPKUCB-UHFFFAOYSA-N
MW549.09 g/mol
LogP10.73
Rot. Bonds1

About 3-(5'-chlorospiro[fluorene-9,9'-thioxanthene]-3'-yl)dibenzofuran

3-(5'-chlorospiro[fluorene-9,9'-thioxanthene]-3'-yl)dibenzofuran (PubChem CID 155483429) has the molecular formula C37H21ClOS and a molecular weight of 549.09 g/mol. Its IUPAC name is 3-(5'-chlorospiro[fluorene-9,9'-thioxanthene]-3'-yl)dibenzofuran.

Molecular Properties

Compound Name3-(5'-chlorospiro[fluorene-9,9'-thioxanthene]-3'-yl)dibenzofuran
PubChem CID155483429
Molecular FormulaC37H21ClOS
Molecular Weight549.09 g/mol
Exact Mass548.10
IUPAC Name3-(5'-chlorospiro[fluorene-9,9'-thioxanthene]-3'-yl)dibenzofuran
SMILESClc1cccc2c1Sc1cc(-c3ccc4c(c3)oc3ccccc34)ccc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C37H21ClOS/c38-32-14-7-13-31-36(32)40-35-21-23(22-16-18-27-26-10-3-6-15-33(26)39-34(27)20-22)17-19-30(35)37(31)28-11-4-1-8-24(28)25-9-2-5-12-29(25)37/h1-21H
InChIKeyRJCLBFNRXPKUCB-UHFFFAOYSA-N
XLogP10.73
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.09
LogP ≤ 510.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-3-dibenzofuran-3-yl-9-(2-phenylphenyl)thioxanthen-9-ol
CID 155763682
3'-dibenzofuran-3-ylspiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]
CID 153483755
2-[3-(2'-chlorospiro[fluorene-9,9'-thioxanthene]-4'-yl)phenyl]dibenzofuran
CID 168799112
2-(4-dibenzofuran-4-ylphenyl)-4-phenyl-6-spiro[fluorene-9,9'-thioxanthene]-3'-yl-1,3,5-triazine
CID 142469829
N-(4-dibenzofuran-3-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-xanthene]-3-amine
CID 138476806
3-(2-chlorophenyl)dibenzofuran
CID 138667405
N-[4-(3-dibenzofuran-3-ylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine
CID 130308762
CID 129022952
CID 129022952
N-spiro[fluorene-9,9'-thioxanthene]-2-yldibenzofuran-3-amine
CID 169305210
N,N-di(spiro[fluorene-9,9'-thioxanthene]-2-yl)dibenzofuran-3-amine
CID 138476092
2-dibenzofuran-3-yl-4-phenyl-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-3-yl-1,3,5-triazine
CID 148861286
2-(4-dibenzofuran-4-ylphenyl)-4-phenyl-6-(2-spiro[fluorene-9,9'-thioxanthene]-3'-ylphenyl)-1,3,5-triazine
CID 166738136

Frequently Asked Questions

What is the IUPAC name of 3-(5'-chlorospiro[fluorene-9,9'-thioxanthene]-3'-yl)dibenzofuran?
The IUPAC name of 3-(5'-chlorospiro[fluorene-9,9'-thioxanthene]-3'-yl)dibenzofuran (CID 155483429) is 3-(5'-chlorospiro[fluorene-9,9'-thioxanthene]-3'-yl)dibenzofuran.
What is the SMILES notation for 3-(5'-chlorospiro[fluorene-9,9'-thioxanthene]-3'-yl)dibenzofuran?
The canonical SMILES for 3-(5'-chlorospiro[fluorene-9,9'-thioxanthene]-3'-yl)dibenzofuran is Clc1cccc2c1Sc1cc(-c3ccc4c(c3)oc3ccccc34)ccc1C21c2ccccc2-c2ccccc21.
What is the InChIKey of 3-(5'-chlorospiro[fluorene-9,9'-thioxanthene]-3'-yl)dibenzofuran?
The InChIKey is RJCLBFNRXPKUCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H21ClOS/c38-32-14-7-13-31-36(32)40-35-21-23(22-16-18-27-26-10-3-6-15-33(26)39-34(27)20-22)17-19-30(35)37(31)28-11-4-1-8-24(28)25-9-2-5-12-29(25)37/h1-21H.
What are the key properties of 3-(5'-chlorospiro[fluorene-9,9'-thioxanthene]-3'-yl)dibenzofuran?
3-(5'-chlorospiro[fluorene-9,9'-thioxanthene]-3'-yl)dibenzofuran has a molecular weight of 549.09 g/mol, XLogP of 10.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5'-chlorospiro[fluorene-9,9'-thioxanthene]-3'-yl)dibenzofuran is sourced from PubChem (CID 155483429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).