2,5-bis[3,5-bis(trifluoromethyl)phenyl]benzene-1,4-diol;1-[2,5-bis[3,5-bis(trifluoromethyl)phenyl]-4-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)sulfanylphenoxy]phenoxy]-2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)sulfanylbenzene;1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)sulfanylbenzene

C80H18F52O4S3 — CID 90777434

IUPAC2,5-bis[3,5-bis(trifluoromethyl)phenyl]benzene-1,4-diol;1-[2,5-bis[3,5-bis(trifluoromethyl)phenyl]-4-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)sulfanylphenoxy]phenoxy]-2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)sulfanylbenzene;1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)sulfanylbenzene
SMILESFc1c(F)c(F)c(Sc2c(F)c(F)c(F)c(F)c2F)c(F)c1F.Fc1c(F)c(F)c(Sc2c(F)c(F)c(Oc3cc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c(Oc4c(F)c(F)c(Sc5c(F)c(F)c(F)c(F)c5F)c(F)c4F)cc3-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c(F)c2F)c(F)c1F.Oc1cc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(O)cc1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C46H8F30O2S2.C22H10F12O2.C12F10S/c47-19-21(49)29(57)39(30(58)22(19)50)79-41-33(61)25(53)37(26(54)34(41)62)77-17-8-16(10-3-13(45(71,72)73)6-14(4-10)46(74,75)76)18(7-15(17)9-1-11(43(65,66)67)5-12(2-9)44(68,69)70)78-38-27(55)35(63)42(36(64)28(38)56)80-40-31(59)23(51)20(48)24(52)32(40)60;23-19(24,25)11-1-9(2-12(5-11)20(26,27)28)15-7-18(36)16(8-17(15)35)10-3-13(21(29,30)31)6-14(4-10)22(32,33)34;13-1-3(15)7(19)11(8(20)4(1)16)23-12-9(21)5(17)2(14)6(18)10(12)22/h1-8H;1-8,35-36H;
InChIKeyIHXBOWXEGBVOLE-UHFFFAOYSA-N
MW2127.12 g/mol
LogP33.22
Rot. Bonds14

About 2,5-bis[3,5-bis(trifluoromethyl)phenyl]benzene-1,4-diol;1-[2,5-bis[3,5-bis(trifluoromethyl)phenyl]-4-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)sulfanylphenoxy]phenoxy]-2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)sulfanylbenzene;1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)sulfanylbenzene

2,5-bis[3,5-bis(trifluoromethyl)phenyl]benzene-1,4-diol;1-[2,5-bis[3,5-bis(trifluoromethyl)phenyl]-4-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)sulfanylphenoxy]phenoxy]-2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)sulfanylbenzene;1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)sulfanylbenzene (PubChem CID 90777434) has the molecular formula C80H18F52O4S3 and a molecular weight of 2127.12 g/mol. Its IUPAC name is 2,5-bis[3,5-bis(trifluoromethyl)phenyl]benzene-1,4-diol;1-[2,5-bis[3,5-bis(trifluoromethyl)phenyl]-4-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)sulfanylphenoxy]phenoxy]-2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)sulfanylbenzene;1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)sulfanylbenzene.

Molecular Properties

Compound Name2,5-bis[3,5-bis(trifluoromethyl)phenyl]benzene-1,4-diol;1-[2,5-bis[3,5-bis(trifluoromethyl)phenyl]-4-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)sulfanylphenoxy]phenoxy]-2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)sulfanylbenzene;1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)sulfanylbenzene
PubChem CID90777434
Molecular FormulaC80H18F52O4S3
Molecular Weight2127.12 g/mol
Exact Mass2125.95
IUPAC Name2,5-bis[3,5-bis(trifluoromethyl)phenyl]benzene-1,4-diol;1-[2,5-bis[3,5-bis(trifluoromethyl)phenyl]-4-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)sulfanylphenoxy]phenoxy]-2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)sulfanylbenzene;1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)sulfanylbenzene
SMILESFc1c(F)c(F)c(Sc2c(F)c(F)c(F)c(F)c2F)c(F)c1F.Fc1c(F)c(F)c(Sc2c(F)c(F)c(Oc3cc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c(Oc4c(F)c(F)c(Sc5c(F)c(F)c(F)c(F)c5F)c(F)c4F)cc3-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c(F)c2F)c(F)c1F.Oc1cc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(O)cc1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C46H8F30O2S2.C22H10F12O2.C12F10S/c47-19-21(49)29(57)39(30(58)22(19)50)79-41-33(61)25(53)37(26(54)34(41)62)77-17-8-16(10-3-13(45(71,72)73)6-14(4-10)46(74,75)76)18(7-15(17)9-1-11(43(65,66)67)5-12(2-9)44(68,69)70)78-38-27(55)35(63)42(36(64)28(38)56)80-40-31(59)23(51)20(48)24(52)32(40)60;23-19(24,25)11-1-9(2-12(5-11)20(26,27)28)15-7-18(36)16(8-17(15)35)10-3-13(21(29,30)31)6-14(4-10)22(32,33)34;13-1-3(15)7(19)11(8(20)4(1)16)23-12-9(21)5(17)2(14)6(18)10(12)22/h1-8H;1-8,35-36H;
InChIKeyIHXBOWXEGBVOLE-UHFFFAOYSA-N
XLogP33.22
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms139
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002127.12
LogP ≤ 533.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze 2,5-bis[3,5-bis(trifluoromethyl)phenyl]benzene-1,4-diol;1-[2,5-bis[3,5-bis(trifluoromethyl)phenyl]-4-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)sulfanylphenoxy]phenoxy]-2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)sulfanylbenzene;1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)sulfanylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-Ethenylphenoxy)-4-[4-[4-[4-[4-(3-ethynylphenoxy)-2,3,5,6-tetrafluorophenyl]sulfanyl-2,3,5,6-tetrafluorophenoxy]-2,5-diphenylphenoxy]-2,3,5,6-tetrafluorophenyl]sulfanyl-2,3,5,6-tetrafluorobenzene
CID 57912302
1-(3-Ethynylphenoxy)-4-[4-[4-[4-[4-(3-ethynylphenoxy)-2,3,5,6-tetrafluorophenyl]sulfanyl-2,3,5,6-tetrafluorophenoxy]-2,5-diphenylphenoxy]-2,3,5,6-tetrafluorophenyl]sulfanyl-2,3,5,6-tetrafluorobenzene
CID 58692148
1-[2,5-Diphenyl-4-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methoxyphenyl)sulfanylphenoxy]phenoxy]-2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methoxyphenyl)sulfanylbenzene
CID 59341620
1-[2,5-Diphenyl-4-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)sulfanylphenoxy]phenoxy]-2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)sulfanylbenzene
CID 59341623
1-[2,5-Bis[3,5-bis(trifluoromethyl)phenyl]-4-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)sulfanylphenoxy]phenoxy]-2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)sulfanylbenzene
CID 59341624
1-[2,5-Bis[3,5-bis(trifluoromethyl)phenyl]-4-[4-[4-(3-ethynylphenoxy)-2,3,5,6-tetrafluorophenyl]sulfanyl-2,3,5,6-tetrafluorophenoxy]phenoxy]-4-[4-(3-ethynylphenoxy)-2,3,5,6-tetrafluorophenyl]sulfanyl-2,3,5,6-tetrafluorobenzene
CID 59341629
1,2,3,4,5-Pentafluoro-6-[2,3,5,6-tetrafluoro-4-[4-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)sulfanylphenoxy]-2,5-bis[4-(trifluoromethyl)phenyl]phenoxy]phenyl]sulfanylbenzene
CID 59341633
1-(3-Ethynylphenoxy)-4-[4-[4-[4-[4-(3-ethynylphenoxy)-2,3,5,6-tetrafluorophenyl]sulfanyl-2,3,5,6-tetrafluorophenoxy]-2,5-bis[4-(trifluoromethyl)phenyl]phenoxy]-2,3,5,6-tetrafluorophenyl]sulfanyl-2,3,5,6-tetrafluorobenzene
CID 89056950
2,5-Bis[4-(trifluoromethyl)phenyl]benzene-1,4-diol;1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)sulfanylbenzene;1,2,3,4,5-pentafluoro-6-[2,3,5,6-tetrafluoro-4-[4-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)sulfanylphenoxy]-2,5-bis[4-(trifluoromethyl)phenyl]phenoxy]phenyl]sulfanylbenzene
CID 91137682
3,5-Bis[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]phenol
CID 143253093
4-[2,6-Dicyclohexyl-4-(3-diphenylsulfoniophenoxy)phenoxy]-2,3,5,6-tetrafluorobenzenesulfonate
CID 154594471
2,5-Bis[3,5-bis(trifluoromethyl)phenyl]benzene-1,4-diol;1,4-bis[3,5-bis(trifluoromethyl)phenyl]-2,5-dimethoxybenzene
CID 157153259

Frequently Asked Questions

What is the IUPAC name of 2,5-bis[3,5-bis(trifluoromethyl)phenyl]benzene-1,4-diol;1-[2,5-bis[3,5-bis(trifluoromethyl)phenyl]-4-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)sulfanylphenoxy]phenoxy]-2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)sulfanylbenzene;1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)sulfanylbenzene?
The IUPAC name of 2,5-bis[3,5-bis(trifluoromethyl)phenyl]benzene-1,4-diol;1-[2,5-bis[3,5-bis(trifluoromethyl)phenyl]-4-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)sulfanylphenoxy]phenoxy]-2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)sulfanylbenzene;1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)sulfanylbenzene (CID 90777434) is 2,5-bis[3,5-bis(trifluoromethyl)phenyl]benzene-1,4-diol;1-[2,5-bis[3,5-bis(trifluoromethyl)phenyl]-4-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)sulfanylphenoxy]phenoxy]-2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)sulfanylbenzene;1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)sulfanylbenzene.
What is the SMILES notation for 2,5-bis[3,5-bis(trifluoromethyl)phenyl]benzene-1,4-diol;1-[2,5-bis[3,5-bis(trifluoromethyl)phenyl]-4-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)sulfanylphenoxy]phenoxy]-2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)sulfanylbenzene;1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)sulfanylbenzene?
The canonical SMILES for 2,5-bis[3,5-bis(trifluoromethyl)phenyl]benzene-1,4-diol;1-[2,5-bis[3,5-bis(trifluoromethyl)phenyl]-4-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)sulfanylphenoxy]phenoxy]-2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)sulfanylbenzene;1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)sulfanylbenzene is Fc1c(F)c(F)c(Sc2c(F)c(F)c(F)c(F)c2F)c(F)c1F.Fc1c(F)c(F)c(Sc2c(F)c(F)c(Oc3cc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c(Oc4c(F)c(F)c(Sc5c(F)c(F)c(F)c(F)c5F)c(F)c4F)cc3-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c(F)c2F)c(F)c1F.Oc1cc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(O)cc1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of 2,5-bis[3,5-bis(trifluoromethyl)phenyl]benzene-1,4-diol;1-[2,5-bis[3,5-bis(trifluoromethyl)phenyl]-4-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)sulfanylphenoxy]phenoxy]-2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)sulfanylbenzene;1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)sulfanylbenzene?
The InChIKey is IHXBOWXEGBVOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H8F30O2S2.C22H10F12O2.C12F10S/c47-19-21(49)29(57)39(30(58)22(19)50)79-41-33(61)25(53)37(26(54)34(41)62)77-17-8-16(10-3-13(45(71,72)73)6-14(4-10)46(74,75)76)18(7-15(17)9-1-11(43(65,66)67)5-12(2-9)44(68,69)70)78-38-27(55)35(63)42(36(64)28(38)56)80-40-31(59)23(51)20(48)24(52)32(40)60;23-19(24,25)11-1-9(2-12(5-11)20(26,27)28)15-7-18(36)16(8-17(15)35)10-3-13(21(29,30)31)6-14(4-10)22(32,33)34;13-1-3(15)7(19)11(8(20)4(1)16)23-12-9(21)5(17)2(14)6(18)10(12)22/h1-8H;1-8,35-36H;.
What are the key properties of 2,5-bis[3,5-bis(trifluoromethyl)phenyl]benzene-1,4-diol;1-[2,5-bis[3,5-bis(trifluoromethyl)phenyl]-4-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)sulfanylphenoxy]phenoxy]-2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)sulfanylbenzene;1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)sulfanylbenzene?
2,5-bis[3,5-bis(trifluoromethyl)phenyl]benzene-1,4-diol;1-[2,5-bis[3,5-bis(trifluoromethyl)phenyl]-4-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)sulfanylphenoxy]phenoxy]-2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)sulfanylbenzene;1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)sulfanylbenzene has a molecular weight of 2127.12 g/mol, XLogP of 33.22, 14 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis[3,5-bis(trifluoromethyl)phenyl]benzene-1,4-diol;1-[2,5-bis[3,5-bis(trifluoromethyl)phenyl]-4-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)sulfanylphenoxy]phenoxy]-2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)sulfanylbenzene;1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)sulfanylbenzene is sourced from PubChem (CID 90777434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).