8-methyl-10-(8-methyl-8-phenylindeno[2,1-c]phenoxathiin-10-yl)-8-phenylindeno[2,1-c]phenoxathiine

C52H34O2S2 — CID 118081390

IUPAC8-methyl-10-(8-methyl-8-phenylindeno[2,1-c]phenoxathiin-10-yl)-8-phenylindeno[2,1-c]phenoxathiine
SMILESCC1(c2ccccc2)c2cc(-c3ccc4c(c3)C(C)(c3ccccc3)c3ccc5c(c3-4)Oc3ccccc3S5)ccc2-c2c1ccc1c2Oc2ccccc2S1
InChIInChI=1S/C52H34O2S2/c1-51(33-13-5-3-6-14-33)37-25-27-45-49(53-41-17-9-11-19-43(41)55-45)47(37)35-23-21-31(29-39(35)51)32-22-24-36-40(30-32)52(2,34-15-7-4-8-16-34)38-26-28-46-50(48(36)38)54-42-18-10-12-20-44(42)56-46/h3-30H,1-2H3
InChIKeyGULPYZFKOFGRDL-UHFFFAOYSA-N
MW754.98 g/mol
LogP14.54
Rot. Bonds3

About 8-methyl-10-(8-methyl-8-phenylindeno[2,1-c]phenoxathiin-10-yl)-8-phenylindeno[2,1-c]phenoxathiine

8-methyl-10-(8-methyl-8-phenylindeno[2,1-c]phenoxathiin-10-yl)-8-phenylindeno[2,1-c]phenoxathiine (PubChem CID 118081390) has the molecular formula C52H34O2S2 and a molecular weight of 754.98 g/mol. Its IUPAC name is 8-methyl-10-(8-methyl-8-phenylindeno[2,1-c]phenoxathiin-10-yl)-8-phenylindeno[2,1-c]phenoxathiine.

Molecular Properties

Compound Name8-methyl-10-(8-methyl-8-phenylindeno[2,1-c]phenoxathiin-10-yl)-8-phenylindeno[2,1-c]phenoxathiine
PubChem CID118081390
Molecular FormulaC52H34O2S2
Molecular Weight754.98 g/mol
Exact Mass754.20
IUPAC Name8-methyl-10-(8-methyl-8-phenylindeno[2,1-c]phenoxathiin-10-yl)-8-phenylindeno[2,1-c]phenoxathiine
SMILESCC1(c2ccccc2)c2cc(-c3ccc4c(c3)C(C)(c3ccccc3)c3ccc5c(c3-4)Oc3ccccc3S5)ccc2-c2c1ccc1c2Oc2ccccc2S1
InChIInChI=1S/C52H34O2S2/c1-51(33-13-5-3-6-14-33)37-25-27-45-49(53-41-17-9-11-19-43(41)55-45)47(37)35-23-21-31(29-39(35)51)32-22-24-36-40(30-32)52(2,34-15-7-4-8-16-34)38-26-28-46-50(48(36)38)54-42-18-10-12-20-44(42)56-46/h3-30H,1-2H3
InChIKeyGULPYZFKOFGRDL-UHFFFAOYSA-N
XLogP14.54
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500754.98
LogP ≤ 514.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-10-(8-methyl-8-phenylindeno[2,1-c]phenoxathiin-10-yl)-8-phenylindeno[2,1-c]phenoxathiine?
The IUPAC name of 8-methyl-10-(8-methyl-8-phenylindeno[2,1-c]phenoxathiin-10-yl)-8-phenylindeno[2,1-c]phenoxathiine (CID 118081390) is 8-methyl-10-(8-methyl-8-phenylindeno[2,1-c]phenoxathiin-10-yl)-8-phenylindeno[2,1-c]phenoxathiine.
What is the SMILES notation for 8-methyl-10-(8-methyl-8-phenylindeno[2,1-c]phenoxathiin-10-yl)-8-phenylindeno[2,1-c]phenoxathiine?
The canonical SMILES for 8-methyl-10-(8-methyl-8-phenylindeno[2,1-c]phenoxathiin-10-yl)-8-phenylindeno[2,1-c]phenoxathiine is CC1(c2ccccc2)c2cc(-c3ccc4c(c3)C(C)(c3ccccc3)c3ccc5c(c3-4)Oc3ccccc3S5)ccc2-c2c1ccc1c2Oc2ccccc2S1.
What is the InChIKey of 8-methyl-10-(8-methyl-8-phenylindeno[2,1-c]phenoxathiin-10-yl)-8-phenylindeno[2,1-c]phenoxathiine?
The InChIKey is GULPYZFKOFGRDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34O2S2/c1-51(33-13-5-3-6-14-33)37-25-27-45-49(53-41-17-9-11-19-43(41)55-45)47(37)35-23-21-31(29-39(35)51)32-22-24-36-40(30-32)52(2,34-15-7-4-8-16-34)38-26-28-46-50(48(36)38)54-42-18-10-12-20-44(42)56-46/h3-30H,1-2H3.
What are the key properties of 8-methyl-10-(8-methyl-8-phenylindeno[2,1-c]phenoxathiin-10-yl)-8-phenylindeno[2,1-c]phenoxathiine?
8-methyl-10-(8-methyl-8-phenylindeno[2,1-c]phenoxathiin-10-yl)-8-phenylindeno[2,1-c]phenoxathiine has a molecular weight of 754.98 g/mol, XLogP of 14.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-10-(8-methyl-8-phenylindeno[2,1-c]phenoxathiin-10-yl)-8-phenylindeno[2,1-c]phenoxathiine is sourced from PubChem (CID 118081390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).