spiro[6H-indeno[2,1-g]chromene-2,9'-thioxanthene]

C28H18OS — CID 12994413

IUPACspiro[6H-indeno[2,1-g]chromene-2,9'-thioxanthene]
SMILESC1=CC2(Oc3cc4c(cc31)Cc1ccccc1-4)c1ccccc1Sc1ccccc12
InChIInChI=1S/C28H18OS/c1-2-8-21-18(7-1)15-20-16-19-13-14-28(29-25(19)17-22(20)21)23-9-3-5-11-26(23)30-27-12-6-4-10-24(27)28/h1-14,16-17H,15H2
InChIKeyWKZFAPDMEUXXJJ-UHFFFAOYSA-N
MW402.52 g/mol
LogP7.07
Rot. Bonds

About spiro[6H-indeno[2,1-g]chromene-2,9'-thioxanthene]

spiro[6H-indeno[2,1-g]chromene-2,9'-thioxanthene] (PubChem CID 12994413) has the molecular formula C28H18OS and a molecular weight of 402.52 g/mol. Its IUPAC name is spiro[6H-indeno[2,1-g]chromene-2,9'-thioxanthene].

Molecular Properties

Compound Namespiro[6H-indeno[2,1-g]chromene-2,9'-thioxanthene]
PubChem CID12994413
Molecular FormulaC28H18OS
Molecular Weight402.52 g/mol
Exact Mass402.11
IUPAC Namespiro[6H-indeno[2,1-g]chromene-2,9'-thioxanthene]
SMILESC1=CC2(Oc3cc4c(cc31)Cc1ccccc1-4)c1ccccc1Sc1ccccc12
InChIInChI=1S/C28H18OS/c1-2-8-21-18(7-1)15-20-16-19-13-14-28(29-25(19)17-22(20)21)23-9-3-5-11-26(23)30-27-12-6-4-10-24(27)28/h1-14,16-17H,15H2
InChIKeyWKZFAPDMEUXXJJ-UHFFFAOYSA-N
XLogP7.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.52
LogP ≤ 57.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of spiro[6H-indeno[2,1-g]chromene-2,9'-thioxanthene]?
The IUPAC name of spiro[6H-indeno[2,1-g]chromene-2,9'-thioxanthene] (CID 12994413) is spiro[6H-indeno[2,1-g]chromene-2,9'-thioxanthene].
What is the SMILES notation for spiro[6H-indeno[2,1-g]chromene-2,9'-thioxanthene]?
The canonical SMILES for spiro[6H-indeno[2,1-g]chromene-2,9'-thioxanthene] is C1=CC2(Oc3cc4c(cc31)Cc1ccccc1-4)c1ccccc1Sc1ccccc12.
What is the InChIKey of spiro[6H-indeno[2,1-g]chromene-2,9'-thioxanthene]?
The InChIKey is WKZFAPDMEUXXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18OS/c1-2-8-21-18(7-1)15-20-16-19-13-14-28(29-25(19)17-22(20)21)23-9-3-5-11-26(23)30-27-12-6-4-10-24(27)28/h1-14,16-17H,15H2.
What are the key properties of spiro[6H-indeno[2,1-g]chromene-2,9'-thioxanthene]?
spiro[6H-indeno[2,1-g]chromene-2,9'-thioxanthene] has a molecular weight of 402.52 g/mol, XLogP of 7.07, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[6H-indeno[2,1-g]chromene-2,9'-thioxanthene] is sourced from PubChem (CID 12994413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).