9,10-bis(2,4-difluorophenyl)-2,3-difluoroanthracene

C26H12F6 — CID 87425893

IUPAC9,10-bis(2,4-difluorophenyl)-2,3-difluoroanthracene
SMILESFc1ccc(-c2c3ccccc3c(-c3ccc(F)cc3F)c3cc(F)c(F)cc23)c(F)c1
InChIInChI=1S/C26H12F6/c27-13-5-7-17(21(29)9-13)25-15-3-1-2-4-16(15)26(18-8-6-14(28)10-22(18)30)20-12-24(32)23(31)11-19(20)25/h1-12H
InChIKeyCAQXPSKMJPMZJF-UHFFFAOYSA-N
MW438.37 g/mol
LogP8.16
Rot. Bonds2

About 9,10-bis(2,4-difluorophenyl)-2,3-difluoroanthracene

9,10-bis(2,4-difluorophenyl)-2,3-difluoroanthracene (PubChem CID 87425893) has the molecular formula C26H12F6 and a molecular weight of 438.37 g/mol. Its IUPAC name is 9,10-bis(2,4-difluorophenyl)-2,3-difluoroanthracene.

Molecular Properties

Compound Name9,10-bis(2,4-difluorophenyl)-2,3-difluoroanthracene
PubChem CID87425893
Molecular FormulaC26H12F6
Molecular Weight438.37 g/mol
Exact Mass438.08
IUPAC Name9,10-bis(2,4-difluorophenyl)-2,3-difluoroanthracene
SMILESFc1ccc(-c2c3ccccc3c(-c3ccc(F)cc3F)c3cc(F)c(F)cc23)c(F)c1
InChIInChI=1S/C26H12F6/c27-13-5-7-17(21(29)9-13)25-15-3-1-2-4-16(15)26(18-8-6-14(28)10-22(18)30)20-12-24(32)23(31)11-19(20)25/h1-12H
InChIKeyCAQXPSKMJPMZJF-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': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9,10-bis(2,4-difluorophenyl)-2,3-difluoroanthracene?
The IUPAC name of 9,10-bis(2,4-difluorophenyl)-2,3-difluoroanthracene (CID 87425893) is 9,10-bis(2,4-difluorophenyl)-2,3-difluoroanthracene.
What is the SMILES notation for 9,10-bis(2,4-difluorophenyl)-2,3-difluoroanthracene?
The canonical SMILES for 9,10-bis(2,4-difluorophenyl)-2,3-difluoroanthracene is Fc1ccc(-c2c3ccccc3c(-c3ccc(F)cc3F)c3cc(F)c(F)cc23)c(F)c1.
What is the InChIKey of 9,10-bis(2,4-difluorophenyl)-2,3-difluoroanthracene?
The InChIKey is CAQXPSKMJPMZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H12F6/c27-13-5-7-17(21(29)9-13)25-15-3-1-2-4-16(15)26(18-8-6-14(28)10-22(18)30)20-12-24(32)23(31)11-19(20)25/h1-12H.
What are the key properties of 9,10-bis(2,4-difluorophenyl)-2,3-difluoroanthracene?
9,10-bis(2,4-difluorophenyl)-2,3-difluoroanthracene 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 9,10-bis(2,4-difluorophenyl)-2,3-difluoroanthracene is sourced from PubChem (CID 87425893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).