1-(8,8-diphenylindeno[2,1-c]phenoxathiin-10-yl)-8,8-dimethylindeno[2,1-c]phenoxathiine

C52H34O2S2 — CID 118081393

IUPAC1-(8,8-diphenylindeno[2,1-c]phenoxathiin-10-yl)-8,8-dimethylindeno[2,1-c]phenoxathiine
SMILESCC1(C)c2ccccc2-c2c1ccc1c2Oc2c(cccc2-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccc4c(c2-3)Oc2ccccc2S4)S1
InChIInChI=1S/C52H34O2S2/c1-51(2)37-20-10-9-18-35(37)46-38(51)26-28-45-50(46)54-48-34(19-13-23-43(48)56-45)31-24-25-36-40(30-31)52(32-14-5-3-6-15-32,33-16-7-4-8-17-33)39-27-29-44-49(47(36)39)53-41-21-11-12-22-42(41)55-44/h3-30H,1-2H3
InChIKeyMQQQXTQJDJGMSO-UHFFFAOYSA-N
MW754.98 g/mol
LogP14.54
Rot. Bonds3

About 1-(8,8-diphenylindeno[2,1-c]phenoxathiin-10-yl)-8,8-dimethylindeno[2,1-c]phenoxathiine

1-(8,8-diphenylindeno[2,1-c]phenoxathiin-10-yl)-8,8-dimethylindeno[2,1-c]phenoxathiine (PubChem CID 118081393) has the molecular formula C52H34O2S2 and a molecular weight of 754.98 g/mol. Its IUPAC name is 1-(8,8-diphenylindeno[2,1-c]phenoxathiin-10-yl)-8,8-dimethylindeno[2,1-c]phenoxathiine.

Molecular Properties

Compound Name1-(8,8-diphenylindeno[2,1-c]phenoxathiin-10-yl)-8,8-dimethylindeno[2,1-c]phenoxathiine
PubChem CID118081393
Molecular FormulaC52H34O2S2
Molecular Weight754.98 g/mol
Exact Mass754.20
IUPAC Name1-(8,8-diphenylindeno[2,1-c]phenoxathiin-10-yl)-8,8-dimethylindeno[2,1-c]phenoxathiine
SMILESCC1(C)c2ccccc2-c2c1ccc1c2Oc2c(cccc2-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccc4c(c2-3)Oc2ccccc2S4)S1
InChIInChI=1S/C52H34O2S2/c1-51(2)37-20-10-9-18-35(37)46-38(51)26-28-45-50(46)54-48-34(19-13-23-43(48)56-45)31-24-25-36-40(30-31)52(32-14-5-3-6-15-32,33-16-7-4-8-17-33)39-27-29-44-49(47(36)39)53-41-21-11-12-22-42(41)55-44/h3-30H,1-2H3
InChIKeyMQQQXTQJDJGMSO-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

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
1-(8,8-dimethylindeno[1,2-a]thianthren-10-yl)-8,8-diphenylindeno[1,2-a]oxanthrene
CID 118081394
11-(8,8-diphenylindeno[1,2-a]thianthren-11-yl)-8,8-dimethylindeno[1,2-a]oxanthrene
CID 118081484
4-(9,9-dimethylfluoren-3-yl)-9,9-diphenylxanthene
CID 170018659
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
2-[3-(8,8-dimethylindeno[1,2-a]oxanthren-4-yl)phenyl]-4-phenyl-6-(2-phenylphenyl)pyrimidine
CID 138575721
9,9-dimethyl-4-[3-(7-phenylbenzo[c]fluoren-7-yl)phenyl]xanthene
CID 170029425
2-(9,9-diphenylfluoren-2-yl)-9,9-dimethylxanthene
CID 170018311
9,9-dimethyl-4-(9-methyl-9-phenylfluoren-3-yl)xanthene
CID 170018181
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
4-[2-(8,8-dimethylindeno[1,2-a]oxanthren-4-yl)phenyl]-2-phenyl-6-(2-phenylphenyl)pyrimidine
CID 138575587

Frequently Asked Questions

What is the IUPAC name of 1-(8,8-diphenylindeno[2,1-c]phenoxathiin-10-yl)-8,8-dimethylindeno[2,1-c]phenoxathiine?
The IUPAC name of 1-(8,8-diphenylindeno[2,1-c]phenoxathiin-10-yl)-8,8-dimethylindeno[2,1-c]phenoxathiine (CID 118081393) is 1-(8,8-diphenylindeno[2,1-c]phenoxathiin-10-yl)-8,8-dimethylindeno[2,1-c]phenoxathiine.
What is the SMILES notation for 1-(8,8-diphenylindeno[2,1-c]phenoxathiin-10-yl)-8,8-dimethylindeno[2,1-c]phenoxathiine?
The canonical SMILES for 1-(8,8-diphenylindeno[2,1-c]phenoxathiin-10-yl)-8,8-dimethylindeno[2,1-c]phenoxathiine is CC1(C)c2ccccc2-c2c1ccc1c2Oc2c(cccc2-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccc4c(c2-3)Oc2ccccc2S4)S1.
What is the InChIKey of 1-(8,8-diphenylindeno[2,1-c]phenoxathiin-10-yl)-8,8-dimethylindeno[2,1-c]phenoxathiine?
The InChIKey is MQQQXTQJDJGMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34O2S2/c1-51(2)37-20-10-9-18-35(37)46-38(51)26-28-45-50(46)54-48-34(19-13-23-43(48)56-45)31-24-25-36-40(30-31)52(32-14-5-3-6-15-32,33-16-7-4-8-17-33)39-27-29-44-49(47(36)39)53-41-21-11-12-22-42(41)55-44/h3-30H,1-2H3.
What are the key properties of 1-(8,8-diphenylindeno[2,1-c]phenoxathiin-10-yl)-8,8-dimethylindeno[2,1-c]phenoxathiine?
1-(8,8-diphenylindeno[2,1-c]phenoxathiin-10-yl)-8,8-dimethylindeno[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 1-(8,8-diphenylindeno[2,1-c]phenoxathiin-10-yl)-8,8-dimethylindeno[2,1-c]phenoxathiine is sourced from PubChem (CID 118081393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).