1-(8,8-dimethylindeno[1,2-a]thianthren-10-yl)-8,8-diphenylindeno[1,2-a]oxanthrene

C52H34O2S2 — CID 118081394

IUPAC1-(8,8-dimethylindeno[1,2-a]thianthren-10-yl)-8,8-diphenylindeno[1,2-a]oxanthrene
SMILESCC1(C)c2cc(-c3cccc4c3Oc3c(ccc5c3-c3ccccc3C5(c3ccccc3)c3ccccc3)O4)ccc2-c2c1ccc1c2Sc2ccccc2S1
InChIInChI=1S/C52H34O2S2/c1-51(2)38-27-29-45-50(56-44-23-12-11-22-43(44)55-45)47(38)36-25-24-31(30-40(36)51)34-19-13-21-41-48(34)54-49-42(53-41)28-26-39-46(49)35-18-9-10-20-37(35)52(39,32-14-5-3-6-15-32)33-16-7-4-8-17-33/h3-30H,1-2H3
InChIKeyCLSBJEXXYOBSGW-UHFFFAOYSA-N
MW754.98 g/mol
LogP14.54
Rot. Bonds3

About 1-(8,8-dimethylindeno[1,2-a]thianthren-10-yl)-8,8-diphenylindeno[1,2-a]oxanthrene

1-(8,8-dimethylindeno[1,2-a]thianthren-10-yl)-8,8-diphenylindeno[1,2-a]oxanthrene (PubChem CID 118081394) has the molecular formula C52H34O2S2 and a molecular weight of 754.98 g/mol. Its IUPAC name is 1-(8,8-dimethylindeno[1,2-a]thianthren-10-yl)-8,8-diphenylindeno[1,2-a]oxanthrene.

Molecular Properties

Compound Name1-(8,8-dimethylindeno[1,2-a]thianthren-10-yl)-8,8-diphenylindeno[1,2-a]oxanthrene
PubChem CID118081394
Molecular FormulaC52H34O2S2
Molecular Weight754.98 g/mol
Exact Mass754.20
IUPAC Name1-(8,8-dimethylindeno[1,2-a]thianthren-10-yl)-8,8-diphenylindeno[1,2-a]oxanthrene
SMILESCC1(C)c2cc(-c3cccc4c3Oc3c(ccc5c3-c3ccccc3C5(c3ccccc3)c3ccccc3)O4)ccc2-c2c1ccc1c2Sc2ccccc2S1
InChIInChI=1S/C52H34O2S2/c1-51(2)38-27-29-45-50(56-44-23-12-11-22-43(44)55-45)47(38)36-25-24-31(30-40(36)51)34-19-13-21-41-48(34)54-49-42(53-41)28-26-39-46(49)35-18-9-10-20-37(35)52(39,32-14-5-3-6-15-32)33-16-7-4-8-17-33/h3-30H,1-2H3
InChIKeyCLSBJEXXYOBSGW-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

11-(8,8-diphenylindeno[1,2-a]thianthren-11-yl)-8,8-dimethylindeno[1,2-a]oxanthrene
CID 118081484
1-(8,8-diphenylindeno[2,1-c]phenoxathiin-10-yl)-8,8-dimethylindeno[2,1-c]phenoxathiine
CID 118081393
10-[3-(8,8-dimethylindeno[2,1-c]phenoxathiin-10-yl)phenyl]-8,8-diphenylindeno[2,1-c]phenoxathiine
CID 118081416
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
8,8-dimethyl-10-(10-phenylanthracen-9-yl)indeno[1,2-a]thianthrene
CID 118081185
4-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)-6-phenyl-2-(2-phenylphenyl)pyrimidine
CID 138575818
2-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)-6-(8,8-dimethylindeno[1,2-a]thianthren-10-yl)pyridine;4-(8,8-dimethylindeno[1,2-a]thianthren-1-yl)-6-(8,8-dimethylindeno[1,2-a]thianthren-10-yl)pyrimidine;2-(8,8-dimethylindeno[2,1-c]phenoxathiin-1-yl)-4-(8,8-dimethylindeno[2,1-c]phenoxathiin-10-yl)-1,3,5-triazine
CID 162133365
2-[3-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)phenyl]-4-naphthalen-2-yl-6-phenylpyrimidine
CID 138575631
2-[4-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-4,6-diphenylpyridine
CID 138575674
8,8-dimethyl-10-phenanthren-9-yl-5,5-diphenylindeno[2,1-c]thioxanthene
CID 118081206

Frequently Asked Questions

What is the IUPAC name of 1-(8,8-dimethylindeno[1,2-a]thianthren-10-yl)-8,8-diphenylindeno[1,2-a]oxanthrene?
The IUPAC name of 1-(8,8-dimethylindeno[1,2-a]thianthren-10-yl)-8,8-diphenylindeno[1,2-a]oxanthrene (CID 118081394) is 1-(8,8-dimethylindeno[1,2-a]thianthren-10-yl)-8,8-diphenylindeno[1,2-a]oxanthrene.
What is the SMILES notation for 1-(8,8-dimethylindeno[1,2-a]thianthren-10-yl)-8,8-diphenylindeno[1,2-a]oxanthrene?
The canonical SMILES for 1-(8,8-dimethylindeno[1,2-a]thianthren-10-yl)-8,8-diphenylindeno[1,2-a]oxanthrene is CC1(C)c2cc(-c3cccc4c3Oc3c(ccc5c3-c3ccccc3C5(c3ccccc3)c3ccccc3)O4)ccc2-c2c1ccc1c2Sc2ccccc2S1.
What is the InChIKey of 1-(8,8-dimethylindeno[1,2-a]thianthren-10-yl)-8,8-diphenylindeno[1,2-a]oxanthrene?
The InChIKey is CLSBJEXXYOBSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34O2S2/c1-51(2)38-27-29-45-50(56-44-23-12-11-22-43(44)55-45)47(38)36-25-24-31(30-40(36)51)34-19-13-21-41-48(34)54-49-42(53-41)28-26-39-46(49)35-18-9-10-20-37(35)52(39,32-14-5-3-6-15-32)33-16-7-4-8-17-33/h3-30H,1-2H3.
What are the key properties of 1-(8,8-dimethylindeno[1,2-a]thianthren-10-yl)-8,8-diphenylindeno[1,2-a]oxanthrene?
1-(8,8-dimethylindeno[1,2-a]thianthren-10-yl)-8,8-diphenylindeno[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 1-(8,8-dimethylindeno[1,2-a]thianthren-10-yl)-8,8-diphenylindeno[1,2-a]oxanthrene is sourced from PubChem (CID 118081394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).