2,4-diphenyl-2H-thiopyrano[3,2-b]chromen-10-one

C24H16O2S — CID 174839518

IUPAC2,4-diphenyl-2H-thiopyrano[3,2-b]chromen-10-one
SMILESO=c1c2c(oc3ccccc13)C(c1ccccc1)=CC(c1ccccc1)S2
InChIInChI=1S/C24H16O2S/c25-22-18-13-7-8-14-20(18)26-23-19(16-9-3-1-4-10-16)15-21(27-24(22)23)17-11-5-2-6-12-17/h1-15,21H
InChIKeyHDCLUCVJPHSNAC-UHFFFAOYSA-N
MW368.46 g/mol
LogP6.07
Rot. Bonds2

About 2,4-diphenyl-2H-thiopyrano[3,2-b]chromen-10-one

2,4-diphenyl-2H-thiopyrano[3,2-b]chromen-10-one (PubChem CID 174839518) has the molecular formula C24H16O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is 2,4-diphenyl-2H-thiopyrano[3,2-b]chromen-10-one.

Molecular Properties

Compound Name2,4-diphenyl-2H-thiopyrano[3,2-b]chromen-10-one
PubChem CID174839518
Molecular FormulaC24H16O2S
Molecular Weight368.46 g/mol
Exact Mass368.09
IUPAC Name2,4-diphenyl-2H-thiopyrano[3,2-b]chromen-10-one
SMILESO=c1c2c(oc3ccccc13)C(c1ccccc1)=CC(c1ccccc1)S2
InChIInChI=1S/C24H16O2S/c25-22-18-13-7-8-14-20(18)26-23-19(16-9-3-1-4-10-16)15-21(27-24(22)23)17-11-5-2-6-12-17/h1-15,21H
InChIKeyHDCLUCVJPHSNAC-UHFFFAOYSA-N
XLogP6.07
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.46
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-2H-thiopyrano[3,2-b]chromen-10-one?
The IUPAC name of 2,4-diphenyl-2H-thiopyrano[3,2-b]chromen-10-one (CID 174839518) is 2,4-diphenyl-2H-thiopyrano[3,2-b]chromen-10-one.
What is the SMILES notation for 2,4-diphenyl-2H-thiopyrano[3,2-b]chromen-10-one?
The canonical SMILES for 2,4-diphenyl-2H-thiopyrano[3,2-b]chromen-10-one is O=c1c2c(oc3ccccc13)C(c1ccccc1)=CC(c1ccccc1)S2.
What is the InChIKey of 2,4-diphenyl-2H-thiopyrano[3,2-b]chromen-10-one?
The InChIKey is HDCLUCVJPHSNAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16O2S/c25-22-18-13-7-8-14-20(18)26-23-19(16-9-3-1-4-10-16)15-21(27-24(22)23)17-11-5-2-6-12-17/h1-15,21H.
What are the key properties of 2,4-diphenyl-2H-thiopyrano[3,2-b]chromen-10-one?
2,4-diphenyl-2H-thiopyrano[3,2-b]chromen-10-one has a molecular weight of 368.46 g/mol, XLogP of 6.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-2H-thiopyrano[3,2-b]chromen-10-one is sourced from PubChem (CID 174839518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).