4,9-bis(phenylsulfanyl)-2,7-dihydropyrano[2,3-g]chromene

C24H18O2S2 — CID 71604941

IUPAC4,9-bis(phenylsulfanyl)-2,7-dihydropyrano[2,3-g]chromene
SMILESC1=C(Sc2ccccc2)c2cc3c(cc2OC1)C(Sc1ccccc1)=CCO3
InChIInChI=1S/C24H18O2S2/c1-3-7-17(8-4-1)27-23-11-13-25-21-16-20-22(15-19(21)23)26-14-12-24(20)28-18-9-5-2-6-10-18/h1-12,15-16H,13-14H2
InChIKeyKLGBJEQQAMCHIB-UHFFFAOYSA-N
MW402.54 g/mol
LogP6.74
Rot. Bonds4

About 4,9-bis(phenylsulfanyl)-2,7-dihydropyrano[2,3-g]chromene

4,9-bis(phenylsulfanyl)-2,7-dihydropyrano[2,3-g]chromene (PubChem CID 71604941) has the molecular formula C24H18O2S2 and a molecular weight of 402.54 g/mol. Its IUPAC name is 4,9-bis(phenylsulfanyl)-2,7-dihydropyrano[2,3-g]chromene.

Molecular Properties

Compound Name4,9-bis(phenylsulfanyl)-2,7-dihydropyrano[2,3-g]chromene
PubChem CID71604941
Molecular FormulaC24H18O2S2
Molecular Weight402.54 g/mol
Exact Mass402.07
IUPAC Name4,9-bis(phenylsulfanyl)-2,7-dihydropyrano[2,3-g]chromene
SMILESC1=C(Sc2ccccc2)c2cc3c(cc2OC1)C(Sc1ccccc1)=CCO3
InChIInChI=1S/C24H18O2S2/c1-3-7-17(8-4-1)27-23-11-13-25-21-16-20-22(15-19(21)23)26-14-12-24(20)28-18-9-5-2-6-10-18/h1-12,15-16H,13-14H2
InChIKeyKLGBJEQQAMCHIB-UHFFFAOYSA-N
XLogP6.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.54
LogP ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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1-[2,5-Diphenyl-4-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methoxyphenyl)sulfanylphenoxy]phenoxy]-2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methoxyphenyl)sulfanylbenzene
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1-[2,5-Diphenyl-4-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)sulfanylphenoxy]phenoxy]-2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)sulfanylbenzene
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Frequently Asked Questions

What is the IUPAC name of 4,9-bis(phenylsulfanyl)-2,7-dihydropyrano[2,3-g]chromene?
The IUPAC name of 4,9-bis(phenylsulfanyl)-2,7-dihydropyrano[2,3-g]chromene (CID 71604941) is 4,9-bis(phenylsulfanyl)-2,7-dihydropyrano[2,3-g]chromene.
What is the SMILES notation for 4,9-bis(phenylsulfanyl)-2,7-dihydropyrano[2,3-g]chromene?
The canonical SMILES for 4,9-bis(phenylsulfanyl)-2,7-dihydropyrano[2,3-g]chromene is C1=C(Sc2ccccc2)c2cc3c(cc2OC1)C(Sc1ccccc1)=CCO3.
What is the InChIKey of 4,9-bis(phenylsulfanyl)-2,7-dihydropyrano[2,3-g]chromene?
The InChIKey is KLGBJEQQAMCHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18O2S2/c1-3-7-17(8-4-1)27-23-11-13-25-21-16-20-22(15-19(21)23)26-14-12-24(20)28-18-9-5-2-6-10-18/h1-12,15-16H,13-14H2.
What are the key properties of 4,9-bis(phenylsulfanyl)-2,7-dihydropyrano[2,3-g]chromene?
4,9-bis(phenylsulfanyl)-2,7-dihydropyrano[2,3-g]chromene has a molecular weight of 402.54 g/mol, XLogP of 6.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,9-bis(phenylsulfanyl)-2,7-dihydropyrano[2,3-g]chromene is sourced from PubChem (CID 71604941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).