3-[1,1,1,3,3,3-hexafluoro-2-[[1,1,1,3,3,3-hexafluoro-2-(1-methylindol-3-yl)propan-2-yl]trisulfanyl]propan-2-yl]-1-methylindole

C24H16F12N2S3 — CID 132839182

IUPAC3-[1,1,1,3,3,3-hexafluoro-2-[[1,1,1,3,3,3-hexafluoro-2-(1-methylindol-3-yl)propan-2-yl]trisulfanyl]propan-2-yl]-1-methylindole
SMILESCn1cc(C(SSSC(c2cn(C)c3ccccc23)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F)c2ccccc21
InChIInChI=1S/C24H16F12N2S3/c1-37-11-15(13-7-3-5-9-17(13)37)19(21(25,26)27,22(28,29)30)39-41-40-20(23(31,32)33,24(34,35)36)16-12-38(2)18-10-6-4-8-14(16)18/h3-12H,1-2H3
InChIKeyWDGFKYTYZHUDSL-UHFFFAOYSA-N
MW656.58 g/mol
LogP10.04
Rot. Bonds6

About 3-[1,1,1,3,3,3-hexafluoro-2-[[1,1,1,3,3,3-hexafluoro-2-(1-methylindol-3-yl)propan-2-yl]trisulfanyl]propan-2-yl]-1-methylindole

3-[1,1,1,3,3,3-hexafluoro-2-[[1,1,1,3,3,3-hexafluoro-2-(1-methylindol-3-yl)propan-2-yl]trisulfanyl]propan-2-yl]-1-methylindole (PubChem CID 132839182) has the molecular formula C24H16F12N2S3 and a molecular weight of 656.58 g/mol. Its IUPAC name is 3-[1,1,1,3,3,3-hexafluoro-2-[[1,1,1,3,3,3-hexafluoro-2-(1-methylindol-3-yl)propan-2-yl]trisulfanyl]propan-2-yl]-1-methylindole.

Molecular Properties

Compound Name3-[1,1,1,3,3,3-hexafluoro-2-[[1,1,1,3,3,3-hexafluoro-2-(1-methylindol-3-yl)propan-2-yl]trisulfanyl]propan-2-yl]-1-methylindole
PubChem CID132839182
Molecular FormulaC24H16F12N2S3
Molecular Weight656.58 g/mol
Exact Mass656.03
IUPAC Name3-[1,1,1,3,3,3-hexafluoro-2-[[1,1,1,3,3,3-hexafluoro-2-(1-methylindol-3-yl)propan-2-yl]trisulfanyl]propan-2-yl]-1-methylindole
SMILESCn1cc(C(SSSC(c2cn(C)c3ccccc23)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F)c2ccccc21
InChIInChI=1S/C24H16F12N2S3/c1-37-11-15(13-7-3-5-9-17(13)37)19(21(25,26)27,22(28,29)30)39-41-40-20(23(31,32)33,24(34,35)36)16-12-38(2)18-10-6-4-8-14(16)18/h3-12H,1-2H3
InChIKeyWDGFKYTYZHUDSL-UHFFFAOYSA-N
XLogP10.04
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.58
LogP ≤ 510.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}

Analyze 3-[1,1,1,3,3,3-hexafluoro-2-[[1,1,1,3,3,3-hexafluoro-2-(1-methylindol-3-yl)propan-2-yl]trisulfanyl]propan-2-yl]-1-methylindole with MolForge

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Related Compounds

3-[1,1-bis(1-methylindol-3-yl)ethyl]-1-methylindole
CID 13205591
2,2-difluoro-2-(1-methylindol-3-yl)acetonitrile
CID 116840601
3-[1-cyclopropyl-2,2,2-trifluoro-1-(1-methylindol-3-yl)ethyl]-1-methylindole
CID 102130704
2-methyl-2-(1-methylindol-3-yl)propaneperoxoic acid
CID 22943029
3-tert-butyl-1-methylindole;3-tert-butyl-1-methylpyrrole
CID 91045612
(1R)-2,2,3,3,3-pentafluoro-1-(1-methylindol-3-yl)propan-1-amine;hydrochloride
CID 171312426
4-methyl-4-(1-methylindol-3-yl)pentan-2-one
CID 12015252
1-methyl-3-propan-2-ylindole
CID 10942942
3-bromo-1-methylindole
CID 13357736
1-methyl-3-(1-methylindol-3-yl)selanylindole
CID 621312
(1-methylindol-3-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 170857099
2-cyclopropyl-2-(1-methylindol-3-yl)propan-1-amine
CID 83840061

Frequently Asked Questions

What is the IUPAC name of 3-[1,1,1,3,3,3-hexafluoro-2-[[1,1,1,3,3,3-hexafluoro-2-(1-methylindol-3-yl)propan-2-yl]trisulfanyl]propan-2-yl]-1-methylindole?
The IUPAC name of 3-[1,1,1,3,3,3-hexafluoro-2-[[1,1,1,3,3,3-hexafluoro-2-(1-methylindol-3-yl)propan-2-yl]trisulfanyl]propan-2-yl]-1-methylindole (CID 132839182) is 3-[1,1,1,3,3,3-hexafluoro-2-[[1,1,1,3,3,3-hexafluoro-2-(1-methylindol-3-yl)propan-2-yl]trisulfanyl]propan-2-yl]-1-methylindole.
What is the SMILES notation for 3-[1,1,1,3,3,3-hexafluoro-2-[[1,1,1,3,3,3-hexafluoro-2-(1-methylindol-3-yl)propan-2-yl]trisulfanyl]propan-2-yl]-1-methylindole?
The canonical SMILES for 3-[1,1,1,3,3,3-hexafluoro-2-[[1,1,1,3,3,3-hexafluoro-2-(1-methylindol-3-yl)propan-2-yl]trisulfanyl]propan-2-yl]-1-methylindole is Cn1cc(C(SSSC(c2cn(C)c3ccccc23)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F)c2ccccc21.
What is the InChIKey of 3-[1,1,1,3,3,3-hexafluoro-2-[[1,1,1,3,3,3-hexafluoro-2-(1-methylindol-3-yl)propan-2-yl]trisulfanyl]propan-2-yl]-1-methylindole?
The InChIKey is WDGFKYTYZHUDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F12N2S3/c1-37-11-15(13-7-3-5-9-17(13)37)19(21(25,26)27,22(28,29)30)39-41-40-20(23(31,32)33,24(34,35)36)16-12-38(2)18-10-6-4-8-14(16)18/h3-12H,1-2H3.
What are the key properties of 3-[1,1,1,3,3,3-hexafluoro-2-[[1,1,1,3,3,3-hexafluoro-2-(1-methylindol-3-yl)propan-2-yl]trisulfanyl]propan-2-yl]-1-methylindole?
3-[1,1,1,3,3,3-hexafluoro-2-[[1,1,1,3,3,3-hexafluoro-2-(1-methylindol-3-yl)propan-2-yl]trisulfanyl]propan-2-yl]-1-methylindole has a molecular weight of 656.58 g/mol, XLogP of 10.04, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1,1,1,3,3,3-hexafluoro-2-[[1,1,1,3,3,3-hexafluoro-2-(1-methylindol-3-yl)propan-2-yl]trisulfanyl]propan-2-yl]-1-methylindole is sourced from PubChem (CID 132839182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).