11-(8,8-diphenylindeno[1,2-a]thianthren-11-yl)-8,8-dimethylindeno[1,2-a]oxanthrene

C52H34O2S2 — CID 118081484

IUPAC11-(8,8-diphenylindeno[1,2-a]thianthren-11-yl)-8,8-dimethylindeno[1,2-a]oxanthrene
SMILESCC1(C)c2ccc(-c3ccc4c(c3)-c3c(ccc5c3Sc3ccccc3S5)C4(c3ccccc3)c3ccccc3)cc2-c2c1ccc1c2Oc2ccccc2O1
InChIInChI=1S/C52H34O2S2/c1-51(2)37-23-21-31(29-35(37)47-39(51)25-27-43-49(47)54-42-18-10-9-17-41(42)53-43)32-22-24-38-36(30-32)48-40(26-28-46-50(48)56-45-20-12-11-19-44(45)55-46)52(38,33-13-5-3-6-14-33)34-15-7-4-8-16-34/h3-30H,1-2H3
InChIKeyYLLRPCVRZSMGMW-UHFFFAOYSA-N
MW754.98 g/mol
LogP14.54
Rot. Bonds3

About 11-(8,8-diphenylindeno[1,2-a]thianthren-11-yl)-8,8-dimethylindeno[1,2-a]oxanthrene

11-(8,8-diphenylindeno[1,2-a]thianthren-11-yl)-8,8-dimethylindeno[1,2-a]oxanthrene (PubChem CID 118081484) has the molecular formula C52H34O2S2 and a molecular weight of 754.98 g/mol. Its IUPAC name is 11-(8,8-diphenylindeno[1,2-a]thianthren-11-yl)-8,8-dimethylindeno[1,2-a]oxanthrene.

Molecular Properties

Compound Name11-(8,8-diphenylindeno[1,2-a]thianthren-11-yl)-8,8-dimethylindeno[1,2-a]oxanthrene
PubChem CID118081484
Molecular FormulaC52H34O2S2
Molecular Weight754.98 g/mol
Exact Mass754.20
IUPAC Name11-(8,8-diphenylindeno[1,2-a]thianthren-11-yl)-8,8-dimethylindeno[1,2-a]oxanthrene
SMILESCC1(C)c2ccc(-c3ccc4c(c3)-c3c(ccc5c3Sc3ccccc3S5)C4(c3ccccc3)c3ccccc3)cc2-c2c1ccc1c2Oc2ccccc2O1
InChIInChI=1S/C52H34O2S2/c1-51(2)37-23-21-31(29-35(37)47-39(51)25-27-43-49(47)54-42-18-10-9-17-41(42)53-43)32-22-24-38-36(30-32)48-40(26-28-46-50(48)56-45-20-12-11-19-44(45)55-46)52(38,33-13-5-3-6-14-33)34-15-7-4-8-16-34/h3-30H,1-2H3
InChIKeyYLLRPCVRZSMGMW-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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Related Compounds

1-(8,8-dimethylindeno[1,2-a]thianthren-10-yl)-8,8-diphenylindeno[1,2-a]oxanthrene
CID 118081394
10-[3-(8,8-dimethylindeno[2,1-c]phenoxathiin-10-yl)phenyl]-8,8-diphenylindeno[2,1-c]phenoxathiine
CID 118081416
1-(8,8-diphenylindeno[2,1-c]phenoxathiin-10-yl)-8,8-dimethylindeno[2,1-c]phenoxathiine
CID 118081393
2-(8,8-dimethylindeno[2,1-c]phenoxathiin-10-yl)-6-(8,8-diphenylindeno[2,1-c]phenoxathiin-10-yl)pyridine
CID 118081422
N-(8,8-dimethylindeno[1,2-a]thianthren-10-yl)-8,8-dimethyl-N-[4-(5,5,8,8-tetramethylfluoreno[4,3-b][1,4]benzoxasilin-1-yl)phenyl]indeno[1,2-a]oxanthren-10-amine
CID 123954499
5,5-dimethyl-8,8-diphenyl-1-(4-thianthren-1-ylphenyl)indeno[2,1-c]thioxanthene;3-[4-(8,8-dimethylindeno[1,2-a]phenoxathiin-1-yl)phenyl]-10-phenylphenoxazine;1-[3-(9,9-dimethylthioxanthen-4-yl)phenyl]-8,8-dimethylindeno[1,2-a]thianthrene;1-[3-(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-8,8-dimethylindeno[2,1-c]phenoxathiine
CID 157244614
4-(9,9-dimethylfluoren-3-yl)-9,9-diphenylxanthene
CID 170018659
2-chloro-8,8-diphenylindeno[1,2-a]oxanthrene
CID 138575019
8,8-dimethyl-10-(10-phenylanthracen-9-yl)indeno[1,2-a]thianthrene
CID 118081185
2-(9,9-diphenylfluoren-2-yl)-9,9-dimethylxanthene
CID 170018311
3-iodo-8,8-diphenylindeno[1,2-a]oxanthrene
CID 138581719
8,8-dimethyl-3-(3-methylphenyl)indeno[1,2-a]oxanthrene
CID 138576275

Frequently Asked Questions

What is the IUPAC name of 11-(8,8-diphenylindeno[1,2-a]thianthren-11-yl)-8,8-dimethylindeno[1,2-a]oxanthrene?
The IUPAC name of 11-(8,8-diphenylindeno[1,2-a]thianthren-11-yl)-8,8-dimethylindeno[1,2-a]oxanthrene (CID 118081484) is 11-(8,8-diphenylindeno[1,2-a]thianthren-11-yl)-8,8-dimethylindeno[1,2-a]oxanthrene.
What is the SMILES notation for 11-(8,8-diphenylindeno[1,2-a]thianthren-11-yl)-8,8-dimethylindeno[1,2-a]oxanthrene?
The canonical SMILES for 11-(8,8-diphenylindeno[1,2-a]thianthren-11-yl)-8,8-dimethylindeno[1,2-a]oxanthrene is CC1(C)c2ccc(-c3ccc4c(c3)-c3c(ccc5c3Sc3ccccc3S5)C4(c3ccccc3)c3ccccc3)cc2-c2c1ccc1c2Oc2ccccc2O1.
What is the InChIKey of 11-(8,8-diphenylindeno[1,2-a]thianthren-11-yl)-8,8-dimethylindeno[1,2-a]oxanthrene?
The InChIKey is YLLRPCVRZSMGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34O2S2/c1-51(2)37-23-21-31(29-35(37)47-39(51)25-27-43-49(47)54-42-18-10-9-17-41(42)53-43)32-22-24-38-36(30-32)48-40(26-28-46-50(48)56-45-20-12-11-19-44(45)55-46)52(38,33-13-5-3-6-14-33)34-15-7-4-8-16-34/h3-30H,1-2H3.
What are the key properties of 11-(8,8-diphenylindeno[1,2-a]thianthren-11-yl)-8,8-dimethylindeno[1,2-a]oxanthrene?
11-(8,8-diphenylindeno[1,2-a]thianthren-11-yl)-8,8-dimethylindeno[1,2-a]oxanthrene 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 11-(8,8-diphenylindeno[1,2-a]thianthren-11-yl)-8,8-dimethylindeno[1,2-a]oxanthrene is sourced from PubChem (CID 118081484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).