3-(4-methoxyphenyl)sulfanyl-4-[3-(4-methoxyphenyl)sulfanyl-2H-chromen-4-yl]-2H-chromene

C32H26O4S2 — CID 72736308

IUPAC3-(4-methoxyphenyl)sulfanyl-4-[3-(4-methoxyphenyl)sulfanyl-2H-chromen-4-yl]-2H-chromene
SMILESCOc1ccc(SC2=C(C3=C(Sc4ccc(OC)cc4)COc4ccccc43)c3ccccc3OC2)cc1
InChIInChI=1S/C32H26O4S2/c1-33-21-11-15-23(16-12-21)37-29-19-35-27-9-5-3-7-25(27)31(29)32-26-8-4-6-10-28(26)36-20-30(32)38-24-17-13-22(34-2)14-18-24/h3-18H,19-20H2,1-2H3
InChIKeyWPHQHLLDEUWERH-UHFFFAOYSA-N
MW538.69 g/mol
LogP8.20
Rot. Bonds7

About 3-(4-methoxyphenyl)sulfanyl-4-[3-(4-methoxyphenyl)sulfanyl-2H-chromen-4-yl]-2H-chromene

3-(4-methoxyphenyl)sulfanyl-4-[3-(4-methoxyphenyl)sulfanyl-2H-chromen-4-yl]-2H-chromene (PubChem CID 72736308) has the molecular formula C32H26O4S2 and a molecular weight of 538.69 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)sulfanyl-4-[3-(4-methoxyphenyl)sulfanyl-2H-chromen-4-yl]-2H-chromene.

Molecular Properties

Compound Name3-(4-methoxyphenyl)sulfanyl-4-[3-(4-methoxyphenyl)sulfanyl-2H-chromen-4-yl]-2H-chromene
PubChem CID72736308
Molecular FormulaC32H26O4S2
Molecular Weight538.69 g/mol
Exact Mass538.13
IUPAC Name3-(4-methoxyphenyl)sulfanyl-4-[3-(4-methoxyphenyl)sulfanyl-2H-chromen-4-yl]-2H-chromene
SMILESCOc1ccc(SC2=C(C3=C(Sc4ccc(OC)cc4)COc4ccccc43)c3ccccc3OC2)cc1
InChIInChI=1S/C32H26O4S2/c1-33-21-11-15-23(16-12-21)37-29-19-35-27-9-5-3-7-25(27)31(29)32-26-8-4-6-10-28(26)36-20-30(32)38-24-17-13-22(34-2)14-18-24/h3-18H,19-20H2,1-2H3
InChIKeyWPHQHLLDEUWERH-UHFFFAOYSA-N
XLogP8.20
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.69
LogP ≤ 58.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)sulfanyl-4-[3-(4-methoxyphenyl)sulfanyl-2H-chromen-4-yl]-2H-chromene?
The IUPAC name of 3-(4-methoxyphenyl)sulfanyl-4-[3-(4-methoxyphenyl)sulfanyl-2H-chromen-4-yl]-2H-chromene (CID 72736308) is 3-(4-methoxyphenyl)sulfanyl-4-[3-(4-methoxyphenyl)sulfanyl-2H-chromen-4-yl]-2H-chromene.
What is the SMILES notation for 3-(4-methoxyphenyl)sulfanyl-4-[3-(4-methoxyphenyl)sulfanyl-2H-chromen-4-yl]-2H-chromene?
The canonical SMILES for 3-(4-methoxyphenyl)sulfanyl-4-[3-(4-methoxyphenyl)sulfanyl-2H-chromen-4-yl]-2H-chromene is COc1ccc(SC2=C(C3=C(Sc4ccc(OC)cc4)COc4ccccc43)c3ccccc3OC2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)sulfanyl-4-[3-(4-methoxyphenyl)sulfanyl-2H-chromen-4-yl]-2H-chromene?
The InChIKey is WPHQHLLDEUWERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26O4S2/c1-33-21-11-15-23(16-12-21)37-29-19-35-27-9-5-3-7-25(27)31(29)32-26-8-4-6-10-28(26)36-20-30(32)38-24-17-13-22(34-2)14-18-24/h3-18H,19-20H2,1-2H3.
What are the key properties of 3-(4-methoxyphenyl)sulfanyl-4-[3-(4-methoxyphenyl)sulfanyl-2H-chromen-4-yl]-2H-chromene?
3-(4-methoxyphenyl)sulfanyl-4-[3-(4-methoxyphenyl)sulfanyl-2H-chromen-4-yl]-2H-chromene has a molecular weight of 538.69 g/mol, XLogP of 8.20, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)sulfanyl-4-[3-(4-methoxyphenyl)sulfanyl-2H-chromen-4-yl]-2H-chromene is sourced from PubChem (CID 72736308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).