1,2,3,4,5,6-hexakis[4-(trifluoromethylsulfanyl)phenyl]benzene

C48H24F18S6 — CID 162534995

IUPAC1,2,3,4,5,6-hexakis[4-(trifluoromethylsulfanyl)phenyl]benzene
SMILESFC(F)(F)Sc1ccc(-c2c(-c3ccc(SC(F)(F)F)cc3)c(-c3ccc(SC(F)(F)F)cc3)c(-c3ccc(SC(F)(F)F)cc3)c(-c3ccc(SC(F)(F)F)cc3)c2-c2ccc(SC(F)(F)F)cc2)cc1
InChIInChI=1S/C48H24F18S6/c49-43(50,51)67-31-13-1-25(2-14-31)37-38(26-3-15-32(16-4-26)68-44(52,53)54)40(28-7-19-34(20-8-28)70-46(58,59)60)42(30-11-23-36(24-12-30)72-48(64,65)66)41(29-9-21-35(22-10-29)71-47(61,62)63)39(37)27-5-17-33(18-6-27)69-45(55,56)57/h1-24H
InChIKeyOQGHJWZWBGQRDQ-UHFFFAOYSA-N
MW1135.09 g/mol
LogP21.36
Rot. Bonds12

About 1,2,3,4,5,6-hexakis[4-(trifluoromethylsulfanyl)phenyl]benzene

1,2,3,4,5,6-hexakis[4-(trifluoromethylsulfanyl)phenyl]benzene (PubChem CID 162534995) has the molecular formula C48H24F18S6 and a molecular weight of 1135.09 g/mol. Its IUPAC name is 1,2,3,4,5,6-hexakis[4-(trifluoromethylsulfanyl)phenyl]benzene.

Molecular Properties

Compound Name1,2,3,4,5,6-hexakis[4-(trifluoromethylsulfanyl)phenyl]benzene
PubChem CID162534995
Molecular FormulaC48H24F18S6
Molecular Weight1135.09 g/mol
Exact Mass1133.99
IUPAC Name1,2,3,4,5,6-hexakis[4-(trifluoromethylsulfanyl)phenyl]benzene
SMILESFC(F)(F)Sc1ccc(-c2c(-c3ccc(SC(F)(F)F)cc3)c(-c3ccc(SC(F)(F)F)cc3)c(-c3ccc(SC(F)(F)F)cc3)c(-c3ccc(SC(F)(F)F)cc3)c2-c2ccc(SC(F)(F)F)cc2)cc1
InChIInChI=1S/C48H24F18S6/c49-43(50,51)67-31-13-1-25(2-14-31)37-38(26-3-15-32(16-4-26)68-44(52,53)54)40(28-7-19-34(20-8-28)70-46(58,59)60)42(30-11-23-36(24-12-30)72-48(64,65)66)41(29-9-21-35(22-10-29)71-47(61,62)63)39(37)27-5-17-33(18-6-27)69-45(55,56)57/h1-24H
InChIKeyOQGHJWZWBGQRDQ-UHFFFAOYSA-N
XLogP21.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001135.09
LogP ≤ 521.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-4-(trifluoromethylsulfanyl)benzene;molecular fluorine;hydrofluoride
CID 167649765
1-tert-butyl-4-(trifluoromethylsulfanyl)benzene
CID 138974007
4-(trifluoromethylsulfanyl)aniline;hydrochloride
CID 71758701
trifluoromethylsulfanylbenzene;hydrate
CID 174995188
N-fluoro-4-(trifluoromethylsulfanyl)aniline
CID 141223381
magnesium;1-methanidyl-4-(trifluoromethylsulfanyl)benzene;bromide
CID 133144331
2-methyl-5-[4-(trifluoromethylsulfanyl)phenyl]thiophene
CID 122547721
1-(trifluoromethoxysulfanyl)-4-(trifluoromethylsulfanyl)benzene
CID 88702436
2-chloro-3-[4-(trifluoromethylsulfanyl)phenyl]pyrazine
CID 112559038
4,6-dichloro-5-methyl-2-[4-(trifluoromethylsulfanyl)phenyl]pyrimidine
CID 63612998
CID 87214702
CID 87214702
1-(1-fluoroethenyl)-4-(trifluoromethylsulfanyl)benzene
CID 145093427

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6-hexakis[4-(trifluoromethylsulfanyl)phenyl]benzene?
The IUPAC name of 1,2,3,4,5,6-hexakis[4-(trifluoromethylsulfanyl)phenyl]benzene (CID 162534995) is 1,2,3,4,5,6-hexakis[4-(trifluoromethylsulfanyl)phenyl]benzene.
What is the SMILES notation for 1,2,3,4,5,6-hexakis[4-(trifluoromethylsulfanyl)phenyl]benzene?
The canonical SMILES for 1,2,3,4,5,6-hexakis[4-(trifluoromethylsulfanyl)phenyl]benzene is FC(F)(F)Sc1ccc(-c2c(-c3ccc(SC(F)(F)F)cc3)c(-c3ccc(SC(F)(F)F)cc3)c(-c3ccc(SC(F)(F)F)cc3)c(-c3ccc(SC(F)(F)F)cc3)c2-c2ccc(SC(F)(F)F)cc2)cc1.
What is the InChIKey of 1,2,3,4,5,6-hexakis[4-(trifluoromethylsulfanyl)phenyl]benzene?
The InChIKey is OQGHJWZWBGQRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H24F18S6/c49-43(50,51)67-31-13-1-25(2-14-31)37-38(26-3-15-32(16-4-26)68-44(52,53)54)40(28-7-19-34(20-8-28)70-46(58,59)60)42(30-11-23-36(24-12-30)72-48(64,65)66)41(29-9-21-35(22-10-29)71-47(61,62)63)39(37)27-5-17-33(18-6-27)69-45(55,56)57/h1-24H.
What are the key properties of 1,2,3,4,5,6-hexakis[4-(trifluoromethylsulfanyl)phenyl]benzene?
1,2,3,4,5,6-hexakis[4-(trifluoromethylsulfanyl)phenyl]benzene has a molecular weight of 1135.09 g/mol, XLogP of 21.36, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6-hexakis[4-(trifluoromethylsulfanyl)phenyl]benzene is sourced from PubChem (CID 162534995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).