3-(9H-thioxanthen-3-yl)-9H-xanthene

C26H18OS — CID 138747395

IUPAC3-(9H-thioxanthen-3-yl)-9H-xanthene
SMILESc1ccc2c(c1)Cc1ccc(-c3ccc4c(c3)Sc3ccccc3C4)cc1O2
InChIInChI=1S/C26H18OS/c1-3-7-23-19(5-1)13-20-11-9-17(15-24(20)27-23)18-10-12-22-14-21-6-2-4-8-25(21)28-26(22)16-18/h1-12,15-16H,13-14H2
InChIKeyRCGKVSIFHHVUNC-UHFFFAOYSA-N
MW378.50 g/mol
LogP7.11
Rot. Bonds1

About 3-(9H-thioxanthen-3-yl)-9H-xanthene

3-(9H-thioxanthen-3-yl)-9H-xanthene (PubChem CID 138747395) has the molecular formula C26H18OS and a molecular weight of 378.50 g/mol. Its IUPAC name is 3-(9H-thioxanthen-3-yl)-9H-xanthene.

Molecular Properties

Compound Name3-(9H-thioxanthen-3-yl)-9H-xanthene
PubChem CID138747395
Molecular FormulaC26H18OS
Molecular Weight378.50 g/mol
Exact Mass378.11
IUPAC Name3-(9H-thioxanthen-3-yl)-9H-xanthene
SMILESc1ccc2c(c1)Cc1ccc(-c3ccc4c(c3)Sc3ccccc3C4)cc1O2
InChIInChI=1S/C26H18OS/c1-3-7-23-19(5-1)13-20-11-9-17(15-24(20)27-23)18-10-12-22-14-21-6-2-4-8-25(21)28-26(22)16-18/h1-12,15-16H,13-14H2
InChIKeyRCGKVSIFHHVUNC-UHFFFAOYSA-N
XLogP7.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.50
LogP ≤ 57.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(9H-thioxanthen-3-yl)-9H-xanthene?
The IUPAC name of 3-(9H-thioxanthen-3-yl)-9H-xanthene (CID 138747395) is 3-(9H-thioxanthen-3-yl)-9H-xanthene.
What is the SMILES notation for 3-(9H-thioxanthen-3-yl)-9H-xanthene?
The canonical SMILES for 3-(9H-thioxanthen-3-yl)-9H-xanthene is c1ccc2c(c1)Cc1ccc(-c3ccc4c(c3)Sc3ccccc3C4)cc1O2.
What is the InChIKey of 3-(9H-thioxanthen-3-yl)-9H-xanthene?
The InChIKey is RCGKVSIFHHVUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18OS/c1-3-7-23-19(5-1)13-20-11-9-17(15-24(20)27-23)18-10-12-22-14-21-6-2-4-8-25(21)28-26(22)16-18/h1-12,15-16H,13-14H2.
What are the key properties of 3-(9H-thioxanthen-3-yl)-9H-xanthene?
3-(9H-thioxanthen-3-yl)-9H-xanthene has a molecular weight of 378.50 g/mol, XLogP of 7.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9H-thioxanthen-3-yl)-9H-xanthene is sourced from PubChem (CID 138747395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).