1,5-bis[4-methyl-3-(trifluoromethyl)phenyl]anthracene

C30H20F6 — CID 129213092

IUPAC1,5-bis[4-methyl-3-(trifluoromethyl)phenyl]anthracene
SMILESCc1ccc(-c2cccc3cc4c(-c5ccc(C)c(C(F)(F)F)c5)cccc4cc23)cc1C(F)(F)F
InChIInChI=1S/C30H20F6/c1-17-9-11-21(15-27(17)29(31,32)33)23-7-3-5-19-14-26-20(13-25(19)23)6-4-8-24(26)22-12-10-18(2)28(16-22)30(34,35)36/h3-16H,1-2H3
InChIKeyTUELTMOZYMTSOZ-UHFFFAOYSA-N
MW494.48 g/mol
LogP9.98
Rot. Bonds2

About 1,5-bis[4-methyl-3-(trifluoromethyl)phenyl]anthracene

1,5-bis[4-methyl-3-(trifluoromethyl)phenyl]anthracene (PubChem CID 129213092) has the molecular formula C30H20F6 and a molecular weight of 494.48 g/mol. Its IUPAC name is 1,5-bis[4-methyl-3-(trifluoromethyl)phenyl]anthracene.

Molecular Properties

Compound Name1,5-bis[4-methyl-3-(trifluoromethyl)phenyl]anthracene
PubChem CID129213092
Molecular FormulaC30H20F6
Molecular Weight494.48 g/mol
Exact Mass494.15
IUPAC Name1,5-bis[4-methyl-3-(trifluoromethyl)phenyl]anthracene
SMILESCc1ccc(-c2cccc3cc4c(-c5ccc(C)c(C(F)(F)F)c5)cccc4cc23)cc1C(F)(F)F
InChIInChI=1S/C30H20F6/c1-17-9-11-21(15-27(17)29(31,32)33)23-7-3-5-19-14-26-20(13-25(19)23)6-4-8-24(26)22-12-10-18(2)28(16-22)30(34,35)36/h3-16H,1-2H3
InChIKeyTUELTMOZYMTSOZ-UHFFFAOYSA-N
XLogP9.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.48
LogP ≤ 59.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,5-bis[4-methyl-3-(trifluoromethyl)phenyl]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 1,5-bis[4-methyl-3-(trifluoromethyl)phenyl]anthracene?
The IUPAC name of 1,5-bis[4-methyl-3-(trifluoromethyl)phenyl]anthracene (CID 129213092) is 1,5-bis[4-methyl-3-(trifluoromethyl)phenyl]anthracene.
What is the SMILES notation for 1,5-bis[4-methyl-3-(trifluoromethyl)phenyl]anthracene?
The canonical SMILES for 1,5-bis[4-methyl-3-(trifluoromethyl)phenyl]anthracene is Cc1ccc(-c2cccc3cc4c(-c5ccc(C)c(C(F)(F)F)c5)cccc4cc23)cc1C(F)(F)F.
What is the InChIKey of 1,5-bis[4-methyl-3-(trifluoromethyl)phenyl]anthracene?
The InChIKey is TUELTMOZYMTSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20F6/c1-17-9-11-21(15-27(17)29(31,32)33)23-7-3-5-19-14-26-20(13-25(19)23)6-4-8-24(26)22-12-10-18(2)28(16-22)30(34,35)36/h3-16H,1-2H3.
What are the key properties of 1,5-bis[4-methyl-3-(trifluoromethyl)phenyl]anthracene?
1,5-bis[4-methyl-3-(trifluoromethyl)phenyl]anthracene has a molecular weight of 494.48 g/mol, XLogP of 9.98, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis[4-methyl-3-(trifluoromethyl)phenyl]anthracene is sourced from PubChem (CID 129213092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).