9-(3,4-dimethylphenyl)-2,3-dimethyl-10-[4-methyl-3-(trifluoromethyl)phenyl]anthracene

C32H27F3 — CID 129212252

IUPAC9-(3,4-dimethylphenyl)-2,3-dimethyl-10-[4-methyl-3-(trifluoromethyl)phenyl]anthracene
SMILESCc1ccc(-c2c3ccccc3c(-c3ccc(C)c(C(F)(F)F)c3)c3cc(C)c(C)cc23)cc1C
InChIInChI=1S/C32H27F3/c1-18-10-12-23(14-20(18)3)30-25-8-6-7-9-26(25)31(28-16-22(5)21(4)15-27(28)30)24-13-11-19(2)29(17-24)32(33,34)35/h6-17H,1-5H3
InChIKeyJHSCCZSZWFIHFO-UHFFFAOYSA-N
MW468.56 g/mol
LogP9.89
Rot. Bonds2

About 9-(3,4-dimethylphenyl)-2,3-dimethyl-10-[4-methyl-3-(trifluoromethyl)phenyl]anthracene

9-(3,4-dimethylphenyl)-2,3-dimethyl-10-[4-methyl-3-(trifluoromethyl)phenyl]anthracene (PubChem CID 129212252) has the molecular formula C32H27F3 and a molecular weight of 468.56 g/mol. Its IUPAC name is 9-(3,4-dimethylphenyl)-2,3-dimethyl-10-[4-methyl-3-(trifluoromethyl)phenyl]anthracene.

Molecular Properties

Compound Name9-(3,4-dimethylphenyl)-2,3-dimethyl-10-[4-methyl-3-(trifluoromethyl)phenyl]anthracene
PubChem CID129212252
Molecular FormulaC32H27F3
Molecular Weight468.56 g/mol
Exact Mass468.21
IUPAC Name9-(3,4-dimethylphenyl)-2,3-dimethyl-10-[4-methyl-3-(trifluoromethyl)phenyl]anthracene
SMILESCc1ccc(-c2c3ccccc3c(-c3ccc(C)c(C(F)(F)F)c3)c3cc(C)c(C)cc23)cc1C
InChIInChI=1S/C32H27F3/c1-18-10-12-23(14-20(18)3)30-25-8-6-7-9-26(25)31(28-16-22(5)21(4)15-27(28)30)24-13-11-19(2)29(17-24)32(33,34)35/h6-17H,1-5H3
InChIKeyJHSCCZSZWFIHFO-UHFFFAOYSA-N
XLogP9.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.56
LogP ≤ 59.89
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)-2,3-dimethyl-10-[4-methyl-3-(trifluoromethyl)phenyl]anthracene?
The IUPAC name of 9-(3,4-dimethylphenyl)-2,3-dimethyl-10-[4-methyl-3-(trifluoromethyl)phenyl]anthracene (CID 129212252) is 9-(3,4-dimethylphenyl)-2,3-dimethyl-10-[4-methyl-3-(trifluoromethyl)phenyl]anthracene.
What is the SMILES notation for 9-(3,4-dimethylphenyl)-2,3-dimethyl-10-[4-methyl-3-(trifluoromethyl)phenyl]anthracene?
The canonical SMILES for 9-(3,4-dimethylphenyl)-2,3-dimethyl-10-[4-methyl-3-(trifluoromethyl)phenyl]anthracene is Cc1ccc(-c2c3ccccc3c(-c3ccc(C)c(C(F)(F)F)c3)c3cc(C)c(C)cc23)cc1C.
What is the InChIKey of 9-(3,4-dimethylphenyl)-2,3-dimethyl-10-[4-methyl-3-(trifluoromethyl)phenyl]anthracene?
The InChIKey is JHSCCZSZWFIHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27F3/c1-18-10-12-23(14-20(18)3)30-25-8-6-7-9-26(25)31(28-16-22(5)21(4)15-27(28)30)24-13-11-19(2)29(17-24)32(33,34)35/h6-17H,1-5H3.
What are the key properties of 9-(3,4-dimethylphenyl)-2,3-dimethyl-10-[4-methyl-3-(trifluoromethyl)phenyl]anthracene?
9-(3,4-dimethylphenyl)-2,3-dimethyl-10-[4-methyl-3-(trifluoromethyl)phenyl]anthracene has a molecular weight of 468.56 g/mol, XLogP of 9.89, 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)-2,3-dimethyl-10-[4-methyl-3-(trifluoromethyl)phenyl]anthracene is sourced from PubChem (CID 129212252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).