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

C26H7F11 — CID 87457826

IUPAC1,4-difluoro-9-(2,3,4,5,6-pentafluorophenyl)-10-(2,3,5,6-tetrafluorophenyl)anthracene
SMILESFc1cc(F)c(F)c(-c2c3ccccc3c(-c3c(F)c(F)c(F)c(F)c3F)c3c(F)ccc(F)c23)c1F
InChIInChI=1S/C26H7F11/c27-10-5-6-11(28)17-15(19-22(33)24(35)26(37)25(36)23(19)34)9-4-2-1-3-8(9)14(16(10)17)18-20(31)12(29)7-13(30)21(18)32/h1-7H
InChIKeyXBPDWGNWFVZKRJ-UHFFFAOYSA-N
MW528.32 g/mol
LogP8.86
Rot. Bonds2

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

1,4-difluoro-9-(2,3,4,5,6-pentafluorophenyl)-10-(2,3,5,6-tetrafluorophenyl)anthracene (PubChem CID 87457826) has the molecular formula C26H7F11 and a molecular weight of 528.32 g/mol. Its IUPAC name is 1,4-difluoro-9-(2,3,4,5,6-pentafluorophenyl)-10-(2,3,5,6-tetrafluorophenyl)anthracene.

Molecular Properties

Compound Name1,4-difluoro-9-(2,3,4,5,6-pentafluorophenyl)-10-(2,3,5,6-tetrafluorophenyl)anthracene
PubChem CID87457826
Molecular FormulaC26H7F11
Molecular Weight528.32 g/mol
Exact Mass528.04
IUPAC Name1,4-difluoro-9-(2,3,4,5,6-pentafluorophenyl)-10-(2,3,5,6-tetrafluorophenyl)anthracene
SMILESFc1cc(F)c(F)c(-c2c3ccccc3c(-c3c(F)c(F)c(F)c(F)c3F)c3c(F)ccc(F)c23)c1F
InChIInChI=1S/C26H7F11/c27-10-5-6-11(28)17-15(19-22(33)24(35)26(37)25(36)23(19)34)9-4-2-1-3-8(9)14(16(10)17)18-20(31)12(29)7-13(30)21(18)32/h1-7H
InChIKeyXBPDWGNWFVZKRJ-UHFFFAOYSA-N
XLogP8.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.32
LogP ≤ 58.86
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 1,4-difluoro-9-(2,3,4,5,6-pentafluorophenyl)-10-(2,3,5,6-tetrafluorophenyl)anthracene?
The IUPAC name of 1,4-difluoro-9-(2,3,4,5,6-pentafluorophenyl)-10-(2,3,5,6-tetrafluorophenyl)anthracene (CID 87457826) is 1,4-difluoro-9-(2,3,4,5,6-pentafluorophenyl)-10-(2,3,5,6-tetrafluorophenyl)anthracene.
What is the SMILES notation for 1,4-difluoro-9-(2,3,4,5,6-pentafluorophenyl)-10-(2,3,5,6-tetrafluorophenyl)anthracene?
The canonical SMILES for 1,4-difluoro-9-(2,3,4,5,6-pentafluorophenyl)-10-(2,3,5,6-tetrafluorophenyl)anthracene is Fc1cc(F)c(F)c(-c2c3ccccc3c(-c3c(F)c(F)c(F)c(F)c3F)c3c(F)ccc(F)c23)c1F.
What is the InChIKey of 1,4-difluoro-9-(2,3,4,5,6-pentafluorophenyl)-10-(2,3,5,6-tetrafluorophenyl)anthracene?
The InChIKey is XBPDWGNWFVZKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H7F11/c27-10-5-6-11(28)17-15(19-22(33)24(35)26(37)25(36)23(19)34)9-4-2-1-3-8(9)14(16(10)17)18-20(31)12(29)7-13(30)21(18)32/h1-7H.
What are the key properties of 1,4-difluoro-9-(2,3,4,5,6-pentafluorophenyl)-10-(2,3,5,6-tetrafluorophenyl)anthracene?
1,4-difluoro-9-(2,3,4,5,6-pentafluorophenyl)-10-(2,3,5,6-tetrafluorophenyl)anthracene has a molecular weight of 528.32 g/mol, XLogP of 8.86, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-difluoro-9-(2,3,4,5,6-pentafluorophenyl)-10-(2,3,5,6-tetrafluorophenyl)anthracene is sourced from PubChem (CID 87457826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).