spiro[benzo[f]chromene-3,9'-thioxanthene]

C25H16OS — CID 19084324

IUPACspiro[benzo[f]chromene-3,9'-thioxanthene]
SMILESC1=CC2(Oc3ccc4ccccc4c31)c1ccccc1Sc1ccccc12
InChIInChI=1S/C25H16OS/c1-2-8-18-17(7-1)13-14-22-19(18)15-16-25(26-22)20-9-3-5-11-23(20)27-24-12-6-4-10-21(24)25/h1-16H
InChIKeyDBUMNYIQWUXNEI-UHFFFAOYSA-N
MW364.47 g/mol
LogP6.65
Rot. Bonds

About spiro[benzo[f]chromene-3,9'-thioxanthene]

spiro[benzo[f]chromene-3,9'-thioxanthene] (PubChem CID 19084324) has the molecular formula C25H16OS and a molecular weight of 364.47 g/mol. Its IUPAC name is spiro[benzo[f]chromene-3,9'-thioxanthene].

Molecular Properties

Compound Namespiro[benzo[f]chromene-3,9'-thioxanthene]
PubChem CID19084324
Molecular FormulaC25H16OS
Molecular Weight364.47 g/mol
Exact Mass364.09
IUPAC Namespiro[benzo[f]chromene-3,9'-thioxanthene]
SMILESC1=CC2(Oc3ccc4ccccc4c31)c1ccccc1Sc1ccccc12
InChIInChI=1S/C25H16OS/c1-2-8-18-17(7-1)13-14-22-19(18)15-16-25(26-22)20-9-3-5-11-23(20)27-24-12-6-4-10-21(24)25/h1-16H
InChIKeyDBUMNYIQWUXNEI-UHFFFAOYSA-N
XLogP6.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.47
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of spiro[benzo[f]chromene-3,9'-thioxanthene]?
The IUPAC name of spiro[benzo[f]chromene-3,9'-thioxanthene] (CID 19084324) is spiro[benzo[f]chromene-3,9'-thioxanthene].
What is the SMILES notation for spiro[benzo[f]chromene-3,9'-thioxanthene]?
The canonical SMILES for spiro[benzo[f]chromene-3,9'-thioxanthene] is C1=CC2(Oc3ccc4ccccc4c31)c1ccccc1Sc1ccccc12.
What is the InChIKey of spiro[benzo[f]chromene-3,9'-thioxanthene]?
The InChIKey is DBUMNYIQWUXNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16OS/c1-2-8-18-17(7-1)13-14-22-19(18)15-16-25(26-22)20-9-3-5-11-23(20)27-24-12-6-4-10-21(24)25/h1-16H.
What are the key properties of spiro[benzo[f]chromene-3,9'-thioxanthene]?
spiro[benzo[f]chromene-3,9'-thioxanthene] has a molecular weight of 364.47 g/mol, XLogP of 6.65, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[benzo[f]chromene-3,9'-thioxanthene] is sourced from PubChem (CID 19084324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).