10-(2,4-difluorophenyl)-2,3,6-trifluoro-9-(4-methoxyphenyl)anthracene

C27H15F5O — CID 88877602

IUPAC10-(2,4-difluorophenyl)-2,3,6-trifluoro-9-(4-methoxyphenyl)anthracene
SMILESCOc1ccc(-c2c3ccc(F)cc3c(-c3ccc(F)cc3F)c3cc(F)c(F)cc23)cc1
InChIInChI=1S/C27H15F5O/c1-33-17-6-2-14(3-7-17)26-18-8-4-15(28)10-20(18)27(19-9-5-16(29)11-23(19)30)22-13-25(32)24(31)12-21(22)26/h2-13H,1H3
InChIKeyFFRYJQRZGSDMCB-UHFFFAOYSA-N
MW450.41 g/mol
LogP8.03
Rot. Bonds3

About 10-(2,4-difluorophenyl)-2,3,6-trifluoro-9-(4-methoxyphenyl)anthracene

10-(2,4-difluorophenyl)-2,3,6-trifluoro-9-(4-methoxyphenyl)anthracene (PubChem CID 88877602) has the molecular formula C27H15F5O and a molecular weight of 450.41 g/mol. Its IUPAC name is 10-(2,4-difluorophenyl)-2,3,6-trifluoro-9-(4-methoxyphenyl)anthracene.

Molecular Properties

Compound Name10-(2,4-difluorophenyl)-2,3,6-trifluoro-9-(4-methoxyphenyl)anthracene
PubChem CID88877602
Molecular FormulaC27H15F5O
Molecular Weight450.41 g/mol
Exact Mass450.10
IUPAC Name10-(2,4-difluorophenyl)-2,3,6-trifluoro-9-(4-methoxyphenyl)anthracene
SMILESCOc1ccc(-c2c3ccc(F)cc3c(-c3ccc(F)cc3F)c3cc(F)c(F)cc23)cc1
InChIInChI=1S/C27H15F5O/c1-33-17-6-2-14(3-7-17)26-18-8-4-15(28)10-20(18)27(19-9-5-16(29)11-23(19)30)22-13-25(32)24(31)12-21(22)26/h2-13H,1H3
InChIKeyFFRYJQRZGSDMCB-UHFFFAOYSA-N
XLogP8.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.41
LogP ≤ 58.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 10-(2,4-difluorophenyl)-2,3,6-trifluoro-9-(4-methoxyphenyl)anthracene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 10-(2,4-difluorophenyl)-2,3,6-trifluoro-9-(4-methoxyphenyl)anthracene?
The IUPAC name of 10-(2,4-difluorophenyl)-2,3,6-trifluoro-9-(4-methoxyphenyl)anthracene (CID 88877602) is 10-(2,4-difluorophenyl)-2,3,6-trifluoro-9-(4-methoxyphenyl)anthracene.
What is the SMILES notation for 10-(2,4-difluorophenyl)-2,3,6-trifluoro-9-(4-methoxyphenyl)anthracene?
The canonical SMILES for 10-(2,4-difluorophenyl)-2,3,6-trifluoro-9-(4-methoxyphenyl)anthracene is COc1ccc(-c2c3ccc(F)cc3c(-c3ccc(F)cc3F)c3cc(F)c(F)cc23)cc1.
What is the InChIKey of 10-(2,4-difluorophenyl)-2,3,6-trifluoro-9-(4-methoxyphenyl)anthracene?
The InChIKey is FFRYJQRZGSDMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H15F5O/c1-33-17-6-2-14(3-7-17)26-18-8-4-15(28)10-20(18)27(19-9-5-16(29)11-23(19)30)22-13-25(32)24(31)12-21(22)26/h2-13H,1H3.
What are the key properties of 10-(2,4-difluorophenyl)-2,3,6-trifluoro-9-(4-methoxyphenyl)anthracene?
10-(2,4-difluorophenyl)-2,3,6-trifluoro-9-(4-methoxyphenyl)anthracene has a molecular weight of 450.41 g/mol, XLogP of 8.03, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2,4-difluorophenyl)-2,3,6-trifluoro-9-(4-methoxyphenyl)anthracene is sourced from PubChem (CID 88877602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).