10-(2,4-difluorophenyl)-1,4,5-trifluoro-9-phenylanthracene

C26H13F5 — CID 88877437

IUPAC10-(2,4-difluorophenyl)-1,4,5-trifluoro-9-phenylanthracene
SMILESFc1ccc(-c2c3c(F)cccc3c(-c3ccccc3)c3c(F)ccc(F)c23)c(F)c1
InChIInChI=1S/C26H13F5/c27-15-9-10-16(21(31)13-15)24-23-17(7-4-8-18(23)28)22(14-5-2-1-3-6-14)25-19(29)11-12-20(30)26(24)25/h1-13H
InChIKeyXVIYRVNQHSKQKG-UHFFFAOYSA-N
MW420.38 g/mol
LogP8.02
Rot. Bonds2

About 10-(2,4-difluorophenyl)-1,4,5-trifluoro-9-phenylanthracene

10-(2,4-difluorophenyl)-1,4,5-trifluoro-9-phenylanthracene (PubChem CID 88877437) has the molecular formula C26H13F5 and a molecular weight of 420.38 g/mol. Its IUPAC name is 10-(2,4-difluorophenyl)-1,4,5-trifluoro-9-phenylanthracene.

Molecular Properties

Compound Name10-(2,4-difluorophenyl)-1,4,5-trifluoro-9-phenylanthracene
PubChem CID88877437
Molecular FormulaC26H13F5
Molecular Weight420.38 g/mol
Exact Mass420.09
IUPAC Name10-(2,4-difluorophenyl)-1,4,5-trifluoro-9-phenylanthracene
SMILESFc1ccc(-c2c3c(F)cccc3c(-c3ccccc3)c3c(F)ccc(F)c23)c(F)c1
InChIInChI=1S/C26H13F5/c27-15-9-10-16(21(31)13-15)24-23-17(7-4-8-18(23)28)22(14-5-2-1-3-6-14)25-19(29)11-12-20(30)26(24)25/h1-13H
InChIKeyXVIYRVNQHSKQKG-UHFFFAOYSA-N
XLogP8.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.38
LogP ≤ 58.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

9-(2,4-difluorophenyl)-1,2,3,4-tetrafluoro-10-phenylanthracene
CID 87429066
1-fluoro-9-phenyl-10-(3,4,5-trifluorophenyl)anthracene
CID 87428590
5-fluoro-13-[4-(4-phenylphenyl)phenyl]pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaene
CID 58160942
9-(2,4-difluorophenyl)-1,2,3,4,5-pentafluoro-10-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]anthracene
CID 87428335
9,10-bis(2,4-difluorophenyl)-2,3-difluoroanthracene
CID 87425893
9,10-bis(2,4-difluorophenyl)-2-fluoroanthracene
CID 87425597
9-(2,4-difluorophenyl)-10-(2,3,5,6-tetrafluorophenyl)anthracene
CID 88877561
9-(2,4-difluorophenyl)-1,2,3,4-tetrafluoro-10-(2,3,4,5,6-pentafluorophenyl)anthracene
CID 87457689
5,12-bis(3-fluoro-4-phenylphenyl)-6,11-bis(4-phenylphenyl)tetracene
CID 58846893
5,12-bis[4-(3-fluorophenyl)phenyl]-6,11-diphenyltetracene
CID 58846897
2-(2,4-difluorophenyl)-8-(2-fluoro-4-methylphenyl)-5,11-bis[4-(2-fluoro-4-methylphenyl)phenyl]-6,12-diphenyltetracene
CID 143048698
1-fluoro-2-(4-fluorophenyl)-3-phenylbenzene
CID 57054132

Frequently Asked Questions

What is the IUPAC name of 10-(2,4-difluorophenyl)-1,4,5-trifluoro-9-phenylanthracene?
The IUPAC name of 10-(2,4-difluorophenyl)-1,4,5-trifluoro-9-phenylanthracene (CID 88877437) is 10-(2,4-difluorophenyl)-1,4,5-trifluoro-9-phenylanthracene.
What is the SMILES notation for 10-(2,4-difluorophenyl)-1,4,5-trifluoro-9-phenylanthracene?
The canonical SMILES for 10-(2,4-difluorophenyl)-1,4,5-trifluoro-9-phenylanthracene is Fc1ccc(-c2c3c(F)cccc3c(-c3ccccc3)c3c(F)ccc(F)c23)c(F)c1.
What is the InChIKey of 10-(2,4-difluorophenyl)-1,4,5-trifluoro-9-phenylanthracene?
The InChIKey is XVIYRVNQHSKQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H13F5/c27-15-9-10-16(21(31)13-15)24-23-17(7-4-8-18(23)28)22(14-5-2-1-3-6-14)25-19(29)11-12-20(30)26(24)25/h1-13H.
What are the key properties of 10-(2,4-difluorophenyl)-1,4,5-trifluoro-9-phenylanthracene?
10-(2,4-difluorophenyl)-1,4,5-trifluoro-9-phenylanthracene has a molecular weight of 420.38 g/mol, XLogP of 8.02, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2,4-difluorophenyl)-1,4,5-trifluoro-9-phenylanthracene is sourced from PubChem (CID 88877437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).