9-(2,4-difluorophenyl)-1,2,3,4-tetrafluoro-10-(2,3,4,5,6-pentafluorophenyl)anthracene

C26H7F11 — CID 87457689

IUPAC9-(2,4-difluorophenyl)-1,2,3,4-tetrafluoro-10-(2,3,4,5,6-pentafluorophenyl)anthracene
SMILESFc1ccc(-c2c3ccccc3c(-c3c(F)c(F)c(F)c(F)c3F)c3c(F)c(F)c(F)c(F)c23)c(F)c1
InChIInChI=1S/C26H7F11/c27-8-5-6-11(12(28)7-8)13-9-3-1-2-4-10(9)14(16-15(13)18(29)22(33)23(34)19(16)30)17-20(31)24(35)26(37)25(36)21(17)32/h1-7H
InChIKeyJINFZLGFFRPUNV-UHFFFAOYSA-N
MW528.32 g/mol
LogP8.86
Rot. Bonds2

About 9-(2,4-difluorophenyl)-1,2,3,4-tetrafluoro-10-(2,3,4,5,6-pentafluorophenyl)anthracene

9-(2,4-difluorophenyl)-1,2,3,4-tetrafluoro-10-(2,3,4,5,6-pentafluorophenyl)anthracene (PubChem CID 87457689) has the molecular formula C26H7F11 and a molecular weight of 528.32 g/mol. Its IUPAC name is 9-(2,4-difluorophenyl)-1,2,3,4-tetrafluoro-10-(2,3,4,5,6-pentafluorophenyl)anthracene.

Molecular Properties

Compound Name9-(2,4-difluorophenyl)-1,2,3,4-tetrafluoro-10-(2,3,4,5,6-pentafluorophenyl)anthracene
PubChem CID87457689
Molecular FormulaC26H7F11
Molecular Weight528.32 g/mol
Exact Mass528.04
IUPAC Name9-(2,4-difluorophenyl)-1,2,3,4-tetrafluoro-10-(2,3,4,5,6-pentafluorophenyl)anthracene
SMILESFc1ccc(-c2c3ccccc3c(-c3c(F)c(F)c(F)c(F)c3F)c3c(F)c(F)c(F)c(F)c23)c(F)c1
InChIInChI=1S/C26H7F11/c27-8-5-6-11(12(28)7-8)13-9-3-1-2-4-10(9)14(16-15(13)18(29)22(33)23(34)19(16)30)17-20(31)24(35)26(37)25(36)21(17)32/h1-7H
InChIKeyJINFZLGFFRPUNV-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 9-(2,4-difluorophenyl)-1,2,3,4-tetrafluoro-10-(2,3,4,5,6-pentafluorophenyl)anthracene?
The IUPAC name of 9-(2,4-difluorophenyl)-1,2,3,4-tetrafluoro-10-(2,3,4,5,6-pentafluorophenyl)anthracene (CID 87457689) is 9-(2,4-difluorophenyl)-1,2,3,4-tetrafluoro-10-(2,3,4,5,6-pentafluorophenyl)anthracene.
What is the SMILES notation for 9-(2,4-difluorophenyl)-1,2,3,4-tetrafluoro-10-(2,3,4,5,6-pentafluorophenyl)anthracene?
The canonical SMILES for 9-(2,4-difluorophenyl)-1,2,3,4-tetrafluoro-10-(2,3,4,5,6-pentafluorophenyl)anthracene is Fc1ccc(-c2c3ccccc3c(-c3c(F)c(F)c(F)c(F)c3F)c3c(F)c(F)c(F)c(F)c23)c(F)c1.
What is the InChIKey of 9-(2,4-difluorophenyl)-1,2,3,4-tetrafluoro-10-(2,3,4,5,6-pentafluorophenyl)anthracene?
The InChIKey is JINFZLGFFRPUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H7F11/c27-8-5-6-11(12(28)7-8)13-9-3-1-2-4-10(9)14(16-15(13)18(29)22(33)23(34)19(16)30)17-20(31)24(35)26(37)25(36)21(17)32/h1-7H.
What are the key properties of 9-(2,4-difluorophenyl)-1,2,3,4-tetrafluoro-10-(2,3,4,5,6-pentafluorophenyl)anthracene?
9-(2,4-difluorophenyl)-1,2,3,4-tetrafluoro-10-(2,3,4,5,6-pentafluorophenyl)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 9-(2,4-difluorophenyl)-1,2,3,4-tetrafluoro-10-(2,3,4,5,6-pentafluorophenyl)anthracene is sourced from PubChem (CID 87457689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).