9-(2,4-difluorophenyl)-10-(2,3,5,6-tetrafluorophenyl)anthracene

C26H12F6 — CID 88877561

IUPAC9-(2,4-difluorophenyl)-10-(2,3,5,6-tetrafluorophenyl)anthracene
SMILESFc1ccc(-c2c3ccccc3c(-c3c(F)c(F)cc(F)c3F)c3ccccc23)c(F)c1
InChIInChI=1S/C26H12F6/c27-13-9-10-18(19(28)11-13)22-14-5-1-3-7-16(14)23(17-8-4-2-6-15(17)22)24-25(31)20(29)12-21(30)26(24)32/h1-12H
InChIKeyBGTISKDQNCVZDV-UHFFFAOYSA-N
MW438.37 g/mol
LogP8.16
Rot. Bonds2

About 9-(2,4-difluorophenyl)-10-(2,3,5,6-tetrafluorophenyl)anthracene

9-(2,4-difluorophenyl)-10-(2,3,5,6-tetrafluorophenyl)anthracene (PubChem CID 88877561) has the molecular formula C26H12F6 and a molecular weight of 438.37 g/mol. Its IUPAC name is 9-(2,4-difluorophenyl)-10-(2,3,5,6-tetrafluorophenyl)anthracene.

Molecular Properties

Compound Name9-(2,4-difluorophenyl)-10-(2,3,5,6-tetrafluorophenyl)anthracene
PubChem CID88877561
Molecular FormulaC26H12F6
Molecular Weight438.37 g/mol
Exact Mass438.08
IUPAC Name9-(2,4-difluorophenyl)-10-(2,3,5,6-tetrafluorophenyl)anthracene
SMILESFc1ccc(-c2c3ccccc3c(-c3c(F)c(F)cc(F)c3F)c3ccccc23)c(F)c1
InChIInChI=1S/C26H12F6/c27-13-9-10-18(19(28)11-13)22-14-5-1-3-7-16(14)23(17-8-4-2-6-15(17)22)24-25(31)20(29)12-21(30)26(24)32/h1-12H
InChIKeyBGTISKDQNCVZDV-UHFFFAOYSA-N
XLogP8.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.37
LogP ≤ 58.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

9,10-bis(2,4-difluorophenyl)-2-fluoroanthracene
CID 87425597
2-fluoro-9,10-bis(2,3,5,6-tetrafluorophenyl)anthracene
CID 87425635
9,10-bis(2,4-difluorophenyl)-2,3-difluoroanthracene
CID 87425893
9-(2,4-difluorophenyl)-1,2,3,4-tetrafluoro-10-(2,3,4,5,6-pentafluorophenyl)anthracene
CID 87457689
9-(2,4-difluorophenyl)-2,3-difluoro-10-(2,3,5,6-tetrafluoro-4-methoxyphenyl)anthracene
CID 87428789
9-(2,4-difluorophenyl)-1,2,3,4-tetrafluoro-10-phenylanthracene
CID 87429066
9,10-bis(2,4-difluorophenyl)-N,N-diphenylanthracen-2-amine
CID 58927078
1,4-difluoro-9-(2,3,4,5,6-pentafluorophenyl)-10-(2,3,5,6-tetrafluorophenyl)anthracene
CID 87457826
2-[10-(2,4-difluorophenyl)anthracen-9-yl]dibenzofuran
CID 170374741
10-(2,4-difluorophenyl)-1,4,5-trifluoro-9-phenylanthracene
CID 88877437
9,10-bis(2-fluorophenyl)anthracene
CID 101446406
1-(2,4-difluorophenyl)-2,3,4-trifluorobenzene
CID 90766512

Frequently Asked Questions

What is the IUPAC name of 9-(2,4-difluorophenyl)-10-(2,3,5,6-tetrafluorophenyl)anthracene?
The IUPAC name of 9-(2,4-difluorophenyl)-10-(2,3,5,6-tetrafluorophenyl)anthracene (CID 88877561) is 9-(2,4-difluorophenyl)-10-(2,3,5,6-tetrafluorophenyl)anthracene.
What is the SMILES notation for 9-(2,4-difluorophenyl)-10-(2,3,5,6-tetrafluorophenyl)anthracene?
The canonical SMILES for 9-(2,4-difluorophenyl)-10-(2,3,5,6-tetrafluorophenyl)anthracene is Fc1ccc(-c2c3ccccc3c(-c3c(F)c(F)cc(F)c3F)c3ccccc23)c(F)c1.
What is the InChIKey of 9-(2,4-difluorophenyl)-10-(2,3,5,6-tetrafluorophenyl)anthracene?
The InChIKey is BGTISKDQNCVZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H12F6/c27-13-9-10-18(19(28)11-13)22-14-5-1-3-7-16(14)23(17-8-4-2-6-15(17)22)24-25(31)20(29)12-21(30)26(24)32/h1-12H.
What are the key properties of 9-(2,4-difluorophenyl)-10-(2,3,5,6-tetrafluorophenyl)anthracene?
9-(2,4-difluorophenyl)-10-(2,3,5,6-tetrafluorophenyl)anthracene has a molecular weight of 438.37 g/mol, XLogP of 8.16, 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)-10-(2,3,5,6-tetrafluorophenyl)anthracene is sourced from PubChem (CID 88877561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).