4-fluoro-11-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(11-fluoro-3,7,10,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl)phenyl]phenyl]-3,7,10,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaene

C32H4F10S8 — CID 170275087

About 4-fluoro-11-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(11-fluoro-3,7,10,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl)phenyl]phenyl]-3,7,10,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaene

4-fluoro-11-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(11-fluoro-3,7,10,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl)phenyl]phenyl]-3,7,10,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaene (PubChem CID 170275087) has the molecular formula C32H4F10S8 and a molecular weight of 834.90 g/mol. Its IUPAC name is 4-fluoro-11-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(11-fluoro-3,7,10,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl)phenyl]phenyl]-3,7,10,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaene.

Molecular Properties

• Compound Name: 4-fluoro-11-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(11-fluoro-3,7,10,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl)phenyl]phenyl]-3,7,10,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaene
• PubChem CID: 170275087
• Molecular Formula: C32H4F10S8
• Molecular Weight: 834.90 g/mol
• Exact Mass: 833.79
• IUPAC Name: 4-fluoro-11-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(11-fluoro-3,7,10,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl)phenyl]phenyl]-3,7,10,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaene
• SMILES: Fc1cc2sc3c4sc(-c5c(F)c(F)c(-c6c(F)c(F)c(-c7cc8sc9c%10sc(F)cc%10sc9c8s7)c(F)c6F)c(F)c5F)cc4sc3c2s1
• InChI: InChI=1S/C32H4F10S8/c33-11-3-9-27(49-11)31-29(47-9)25-7(45-31)1-5(43-25)13-17(35)21(39)15(22(40)18(13)36)16-23(41)19(37)14(20(38)24(16)42)6-2-8-26(44-6)30-32(46-8)28-10(48-30)4-12(34)50-28/h1-4H
• InChIKey: ASSQCCBXIQWSFJ-UHFFFAOYSA-N
• XLogP: 15.49
• TPSA: 0.00 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	834.90
LogP ≤ 5	15.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-11-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(11-fluoro-3,7,10,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl)phenyl]phenyl]-3,7,10,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaene?

The IUPAC name of 4-fluoro-11-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(11-fluoro-3,7,10,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl)phenyl]phenyl]-3,7,10,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaene (CID 170275087) is 4-fluoro-11-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(11-fluoro-3,7,10,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl)phenyl]phenyl]-3,7,10,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaene.

What is the SMILES notation for 4-fluoro-11-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(11-fluoro-3,7,10,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl)phenyl]phenyl]-3,7,10,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaene?

The canonical SMILES for 4-fluoro-11-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(11-fluoro-3,7,10,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl)phenyl]phenyl]-3,7,10,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaene is Fc1cc2sc3c4sc(-c5c(F)c(F)c(-c6c(F)c(F)c(-c7cc8sc9c%10sc(F)cc%10sc9c8s7)c(F)c6F)c(F)c5F)cc4sc3c2s1.

What is the InChIKey of 4-fluoro-11-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(11-fluoro-3,7,10,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl)phenyl]phenyl]-3,7,10,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaene?

The InChIKey is ASSQCCBXIQWSFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H4F10S8/c33-11-3-9-27(49-11)31-29(47-9)25-7(45-31)1-5(43-25)13-17(35)21(39)15(22(40)18(13)36)16-23(41)19(37)14(20(38)24(16)42)6-2-8-26(44-6)30-32(46-8)28-10(48-30)4-12(34)50-28/h1-4H.

What are the key properties of 4-fluoro-11-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(11-fluoro-3,7,10,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl)phenyl]phenyl]-3,7,10,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaene?

4-fluoro-11-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(11-fluoro-3,7,10,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl)phenyl]phenyl]-3,7,10,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaene has a molecular weight of 834.90 g/mol, XLogP of 15.49, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-fluoro-11-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(11-fluoro-3,7,10,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl)phenyl]phenyl]-3,7,10,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaene is sourced from PubChem (CID 170275087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).