9-(3,4-dimethylphenyl)-10-[4-methyl-3-(trifluoromethyl)phenyl]anthracene

C30H23F3 — CID 129212253

IUPAC9-(3,4-dimethylphenyl)-10-[4-methyl-3-(trifluoromethyl)phenyl]anthracene
SMILESCc1ccc(-c2c3ccccc3c(-c3ccc(C)c(C(F)(F)F)c3)c3ccccc23)cc1C
InChIInChI=1S/C30H23F3/c1-18-12-14-21(16-20(18)3)28-23-8-4-6-10-25(23)29(26-11-7-5-9-24(26)28)22-15-13-19(2)27(17-22)30(31,32)33/h4-17H,1-3H3
InChIKeyWNXCZFNZWHPIAC-UHFFFAOYSA-N
MW440.51 g/mol
LogP9.27
Rot. Bonds2

About 9-(3,4-dimethylphenyl)-10-[4-methyl-3-(trifluoromethyl)phenyl]anthracene

9-(3,4-dimethylphenyl)-10-[4-methyl-3-(trifluoromethyl)phenyl]anthracene (PubChem CID 129212253) has the molecular formula C30H23F3 and a molecular weight of 440.51 g/mol. Its IUPAC name is 9-(3,4-dimethylphenyl)-10-[4-methyl-3-(trifluoromethyl)phenyl]anthracene.

Molecular Properties

Compound Name9-(3,4-dimethylphenyl)-10-[4-methyl-3-(trifluoromethyl)phenyl]anthracene
PubChem CID129212253
Molecular FormulaC30H23F3
Molecular Weight440.51 g/mol
Exact Mass440.18
IUPAC Name9-(3,4-dimethylphenyl)-10-[4-methyl-3-(trifluoromethyl)phenyl]anthracene
SMILESCc1ccc(-c2c3ccccc3c(-c3ccc(C)c(C(F)(F)F)c3)c3ccccc23)cc1C
InChIInChI=1S/C30H23F3/c1-18-12-14-21(16-20(18)3)28-23-8-4-6-10-25(23)29(26-11-7-5-9-24(26)28)22-15-13-19(2)27(17-22)30(31,32)33/h4-17H,1-3H3
InChIKeyWNXCZFNZWHPIAC-UHFFFAOYSA-N
XLogP9.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.51
LogP ≤ 59.27
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-(3,4-dimethylphenyl)-10-[4-methyl-3-(trifluoromethyl)phenyl]anthracene?
The IUPAC name of 9-(3,4-dimethylphenyl)-10-[4-methyl-3-(trifluoromethyl)phenyl]anthracene (CID 129212253) is 9-(3,4-dimethylphenyl)-10-[4-methyl-3-(trifluoromethyl)phenyl]anthracene.
What is the SMILES notation for 9-(3,4-dimethylphenyl)-10-[4-methyl-3-(trifluoromethyl)phenyl]anthracene?
The canonical SMILES for 9-(3,4-dimethylphenyl)-10-[4-methyl-3-(trifluoromethyl)phenyl]anthracene is Cc1ccc(-c2c3ccccc3c(-c3ccc(C)c(C(F)(F)F)c3)c3ccccc23)cc1C.
What is the InChIKey of 9-(3,4-dimethylphenyl)-10-[4-methyl-3-(trifluoromethyl)phenyl]anthracene?
The InChIKey is WNXCZFNZWHPIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23F3/c1-18-12-14-21(16-20(18)3)28-23-8-4-6-10-25(23)29(26-11-7-5-9-24(26)28)22-15-13-19(2)27(17-22)30(31,32)33/h4-17H,1-3H3.
What are the key properties of 9-(3,4-dimethylphenyl)-10-[4-methyl-3-(trifluoromethyl)phenyl]anthracene?
9-(3,4-dimethylphenyl)-10-[4-methyl-3-(trifluoromethyl)phenyl]anthracene has a molecular weight of 440.51 g/mol, XLogP of 9.27, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3,4-dimethylphenyl)-10-[4-methyl-3-(trifluoromethyl)phenyl]anthracene is sourced from PubChem (CID 129212253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).