1,2,3,4,6-pentafluoro-10-(2,3,4,5,6-pentafluorophenyl)-9-(2,3,5,6-tetrafluorophenyl)anthracene

C26H4F14 — CID 88877500

IUPAC1,2,3,4,6-pentafluoro-10-(2,3,4,5,6-pentafluorophenyl)-9-(2,3,5,6-tetrafluorophenyl)anthracene
SMILESFc1ccc2c(-c3c(F)c(F)cc(F)c3F)c3c(F)c(F)c(F)c(F)c3c(-c3c(F)c(F)c(F)c(F)c3F)c2c1
InChIInChI=1S/C26H4F14/c27-5-1-2-6-7(3-5)11(15-20(34)24(38)26(40)25(39)21(15)35)13-12(18(32)22(36)23(37)19(13)33)10(6)14-16(30)8(28)4-9(29)17(14)31/h1-4H
InChIKeyVINFLTXQXKSCAN-UHFFFAOYSA-N
MW582.29 g/mol
LogP9.27
Rot. Bonds2

About 1,2,3,4,6-pentafluoro-10-(2,3,4,5,6-pentafluorophenyl)-9-(2,3,5,6-tetrafluorophenyl)anthracene

1,2,3,4,6-pentafluoro-10-(2,3,4,5,6-pentafluorophenyl)-9-(2,3,5,6-tetrafluorophenyl)anthracene (PubChem CID 88877500) has the molecular formula C26H4F14 and a molecular weight of 582.29 g/mol. Its IUPAC name is 1,2,3,4,6-pentafluoro-10-(2,3,4,5,6-pentafluorophenyl)-9-(2,3,5,6-tetrafluorophenyl)anthracene.

Molecular Properties

Compound Name1,2,3,4,6-pentafluoro-10-(2,3,4,5,6-pentafluorophenyl)-9-(2,3,5,6-tetrafluorophenyl)anthracene
PubChem CID88877500
Molecular FormulaC26H4F14
Molecular Weight582.29 g/mol
Exact Mass582.01
IUPAC Name1,2,3,4,6-pentafluoro-10-(2,3,4,5,6-pentafluorophenyl)-9-(2,3,5,6-tetrafluorophenyl)anthracene
SMILESFc1ccc2c(-c3c(F)c(F)cc(F)c3F)c3c(F)c(F)c(F)c(F)c3c(-c3c(F)c(F)c(F)c(F)c3F)c2c1
InChIInChI=1S/C26H4F14/c27-5-1-2-6-7(3-5)11(15-20(34)24(38)26(40)25(39)21(15)35)13-12(18(32)22(36)23(37)19(13)33)10(6)14-16(30)8(28)4-9(29)17(14)31/h1-4H
InChIKeyVINFLTXQXKSCAN-UHFFFAOYSA-N
XLogP9.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.29
LogP ≤ 59.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,6-pentafluoro-10-(2,3,4,5,6-pentafluorophenyl)-9-(2,3,5,6-tetrafluorophenyl)anthracene?
The IUPAC name of 1,2,3,4,6-pentafluoro-10-(2,3,4,5,6-pentafluorophenyl)-9-(2,3,5,6-tetrafluorophenyl)anthracene (CID 88877500) is 1,2,3,4,6-pentafluoro-10-(2,3,4,5,6-pentafluorophenyl)-9-(2,3,5,6-tetrafluorophenyl)anthracene.
What is the SMILES notation for 1,2,3,4,6-pentafluoro-10-(2,3,4,5,6-pentafluorophenyl)-9-(2,3,5,6-tetrafluorophenyl)anthracene?
The canonical SMILES for 1,2,3,4,6-pentafluoro-10-(2,3,4,5,6-pentafluorophenyl)-9-(2,3,5,6-tetrafluorophenyl)anthracene is Fc1ccc2c(-c3c(F)c(F)cc(F)c3F)c3c(F)c(F)c(F)c(F)c3c(-c3c(F)c(F)c(F)c(F)c3F)c2c1.
What is the InChIKey of 1,2,3,4,6-pentafluoro-10-(2,3,4,5,6-pentafluorophenyl)-9-(2,3,5,6-tetrafluorophenyl)anthracene?
The InChIKey is VINFLTXQXKSCAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H4F14/c27-5-1-2-6-7(3-5)11(15-20(34)24(38)26(40)25(39)21(15)35)13-12(18(32)22(36)23(37)19(13)33)10(6)14-16(30)8(28)4-9(29)17(14)31/h1-4H.
What are the key properties of 1,2,3,4,6-pentafluoro-10-(2,3,4,5,6-pentafluorophenyl)-9-(2,3,5,6-tetrafluorophenyl)anthracene?
1,2,3,4,6-pentafluoro-10-(2,3,4,5,6-pentafluorophenyl)-9-(2,3,5,6-tetrafluorophenyl)anthracene has a molecular weight of 582.29 g/mol, XLogP of 9.27, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,6-pentafluoro-10-(2,3,4,5,6-pentafluorophenyl)-9-(2,3,5,6-tetrafluorophenyl)anthracene is sourced from PubChem (CID 88877500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).