8,9,10,10-tetrafluoro-4,14-diphenyl-3,15-dithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,8,11,13-hexaene

C25H12F4S2 — CID 101491636

IUPAC8,9,10,10-tetrafluoro-4,14-diphenyl-3,15-dithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,8,11,13-hexaene
SMILESFC1=C(F)C(F)(F)c2c1c1cc(-c3ccccc3)sc1c1sc(-c3ccccc3)cc21
InChIInChI=1S/C25H12F4S2/c26-21-19-15-11-17(13-7-3-1-4-8-13)30-22(15)23-16(20(19)25(28,29)24(21)27)12-18(31-23)14-9-5-2-6-10-14/h1-12H
InChIKeyYAIJWVXDQXWDBT-UHFFFAOYSA-N
MW452.50 g/mol
LogP9.16
Rot. Bonds2

About 8,9,10,10-tetrafluoro-4,14-diphenyl-3,15-dithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,8,11,13-hexaene

8,9,10,10-tetrafluoro-4,14-diphenyl-3,15-dithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,8,11,13-hexaene (PubChem CID 101491636) has the molecular formula C25H12F4S2 and a molecular weight of 452.50 g/mol. Its IUPAC name is 8,9,10,10-tetrafluoro-4,14-diphenyl-3,15-dithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,8,11,13-hexaene.

Molecular Properties

Compound Name8,9,10,10-tetrafluoro-4,14-diphenyl-3,15-dithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,8,11,13-hexaene
PubChem CID101491636
Molecular FormulaC25H12F4S2
Molecular Weight452.50 g/mol
Exact Mass452.03
IUPAC Name8,9,10,10-tetrafluoro-4,14-diphenyl-3,15-dithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,8,11,13-hexaene
SMILESFC1=C(F)C(F)(F)c2c1c1cc(-c3ccccc3)sc1c1sc(-c3ccccc3)cc21
InChIInChI=1S/C25H12F4S2/c26-21-19-15-11-17(13-7-3-1-4-8-13)30-22(15)23-16(20(19)25(28,29)24(21)27)12-18(31-23)14-9-5-2-6-10-14/h1-12H
InChIKeyYAIJWVXDQXWDBT-UHFFFAOYSA-N
XLogP9.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.50
LogP ≤ 59.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 8,9,10,10-tetrafluoro-4,14-diphenyl-3,15-dithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,8,11,13-hexaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8,9,10,10-tetrafluoro-4,14-diphenyl-3,15-dithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,8,11,13-hexaene?
The IUPAC name of 8,9,10,10-tetrafluoro-4,14-diphenyl-3,15-dithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,8,11,13-hexaene (CID 101491636) is 8,9,10,10-tetrafluoro-4,14-diphenyl-3,15-dithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,8,11,13-hexaene.
What is the SMILES notation for 8,9,10,10-tetrafluoro-4,14-diphenyl-3,15-dithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,8,11,13-hexaene?
The canonical SMILES for 8,9,10,10-tetrafluoro-4,14-diphenyl-3,15-dithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,8,11,13-hexaene is FC1=C(F)C(F)(F)c2c1c1cc(-c3ccccc3)sc1c1sc(-c3ccccc3)cc21.
What is the InChIKey of 8,9,10,10-tetrafluoro-4,14-diphenyl-3,15-dithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,8,11,13-hexaene?
The InChIKey is YAIJWVXDQXWDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H12F4S2/c26-21-19-15-11-17(13-7-3-1-4-8-13)30-22(15)23-16(20(19)25(28,29)24(21)27)12-18(31-23)14-9-5-2-6-10-14/h1-12H.
What are the key properties of 8,9,10,10-tetrafluoro-4,14-diphenyl-3,15-dithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,8,11,13-hexaene?
8,9,10,10-tetrafluoro-4,14-diphenyl-3,15-dithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,8,11,13-hexaene has a molecular weight of 452.50 g/mol, XLogP of 9.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9,10,10-tetrafluoro-4,14-diphenyl-3,15-dithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,8,11,13-hexaene is sourced from PubChem (CID 101491636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).