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

C26H10F8 — CID 87428392

IUPAC9-(3,4-difluorophenyl)-1-fluoro-10-(2,3,4,5,6-pentafluorophenyl)anthracene
SMILESFc1ccc(-c2c3ccccc3c(-c3c(F)c(F)c(F)c(F)c3F)c3cccc(F)c23)cc1F
InChIInChI=1S/C26H10F8/c27-15-9-8-11(10-17(15)29)18-12-4-1-2-5-13(12)19(14-6-3-7-16(28)20(14)18)21-22(30)24(32)26(34)25(33)23(21)31/h1-10H
InChIKeyQWXWIRZRSQYFAF-UHFFFAOYSA-N
MW474.35 g/mol
LogP8.44
Rot. Bonds2

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

9-(3,4-difluorophenyl)-1-fluoro-10-(2,3,4,5,6-pentafluorophenyl)anthracene (PubChem CID 87428392) has the molecular formula C26H10F8 and a molecular weight of 474.35 g/mol. Its IUPAC name is 9-(3,4-difluorophenyl)-1-fluoro-10-(2,3,4,5,6-pentafluorophenyl)anthracene.

Molecular Properties

Compound Name9-(3,4-difluorophenyl)-1-fluoro-10-(2,3,4,5,6-pentafluorophenyl)anthracene
PubChem CID87428392
Molecular FormulaC26H10F8
Molecular Weight474.35 g/mol
Exact Mass474.07
IUPAC Name9-(3,4-difluorophenyl)-1-fluoro-10-(2,3,4,5,6-pentafluorophenyl)anthracene
SMILESFc1ccc(-c2c3ccccc3c(-c3c(F)c(F)c(F)c(F)c3F)c3cccc(F)c23)cc1F
InChIInChI=1S/C26H10F8/c27-15-9-8-11(10-17(15)29)18-12-4-1-2-5-13(12)19(14-6-3-7-16(28)20(14)18)21-22(30)24(32)26(34)25(33)23(21)31/h1-10H
InChIKeyQWXWIRZRSQYFAF-UHFFFAOYSA-N
XLogP8.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.35
LogP ≤ 58.44
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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Related Compounds

1-fluoro-9-phenyl-10-(3,4,5-trifluorophenyl)anthracene
CID 87428590
1,6,7-trifluoro-10-(2,3,5,6-tetrafluoro-4-methoxyphenyl)-9-(3,4,5-trifluorophenyl)anthracene
CID 87425986
1-fluoro-9-(2,3,5,6-tetrafluoro-4-methoxyphenyl)-10-(3,4,5-trifluorophenyl)anthracene
CID 87428610
1,4-difluoro-9,10-bis(2,3,4,5,6-pentafluorophenyl)anthracene
CID 87428689
1-fluoro-10-(2,3,4,5,6-pentafluorophenyl)-9-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]anthracene
CID 88877549
1,4-difluoro-9-(2,3,4,5,6-pentafluorophenyl)-10-(2,3,5,6-tetrafluorophenyl)anthracene
CID 87457826
10-(2,6-difluoro-4-methoxyphenyl)-1,6,7-trifluoro-9-(3,4,5-trifluorophenyl)anthracene
CID 87426010
1,2,3,4,5-pentafluoro-9-(4-methoxyphenyl)-10-(2,3,5,6-tetrafluoro-4-methoxyphenyl)anthracene
CID 87428594
1,6,7-trifluoro-10-(2,3,5,6-tetrafluoro-4-methoxyphenyl)-9-(2,3,5,6-tetrafluorophenyl)anthracene
CID 88877439
10-(3,4-difluorophenyl)-2-fluoro-9-phenylanthracene
CID 88877574
10-(2,4-difluorophenyl)-1,4,5-trifluoro-9-phenylanthracene
CID 88877437
9-(2,3,4,5,6,7,8-heptafluoronaphthalen-1-yl)-10-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]anthracene
CID 118672915

Frequently Asked Questions

What is the IUPAC name of 9-(3,4-difluorophenyl)-1-fluoro-10-(2,3,4,5,6-pentafluorophenyl)anthracene?
The IUPAC name of 9-(3,4-difluorophenyl)-1-fluoro-10-(2,3,4,5,6-pentafluorophenyl)anthracene (CID 87428392) is 9-(3,4-difluorophenyl)-1-fluoro-10-(2,3,4,5,6-pentafluorophenyl)anthracene.
What is the SMILES notation for 9-(3,4-difluorophenyl)-1-fluoro-10-(2,3,4,5,6-pentafluorophenyl)anthracene?
The canonical SMILES for 9-(3,4-difluorophenyl)-1-fluoro-10-(2,3,4,5,6-pentafluorophenyl)anthracene is Fc1ccc(-c2c3ccccc3c(-c3c(F)c(F)c(F)c(F)c3F)c3cccc(F)c23)cc1F.
What is the InChIKey of 9-(3,4-difluorophenyl)-1-fluoro-10-(2,3,4,5,6-pentafluorophenyl)anthracene?
The InChIKey is QWXWIRZRSQYFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H10F8/c27-15-9-8-11(10-17(15)29)18-12-4-1-2-5-13(12)19(14-6-3-7-16(28)20(14)18)21-22(30)24(32)26(34)25(33)23(21)31/h1-10H.
What are the key properties of 9-(3,4-difluorophenyl)-1-fluoro-10-(2,3,4,5,6-pentafluorophenyl)anthracene?
9-(3,4-difluorophenyl)-1-fluoro-10-(2,3,4,5,6-pentafluorophenyl)anthracene has a molecular weight of 474.35 g/mol, XLogP of 8.44, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3,4-difluorophenyl)-1-fluoro-10-(2,3,4,5,6-pentafluorophenyl)anthracene is sourced from PubChem (CID 87428392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).