9-(4-methoxyphenyl)-10-[4-(trifluoromethyl)phenyl]anthracene

C28H19F3O — CID 122370617

IUPAC9-(4-methoxyphenyl)-10-[4-(trifluoromethyl)phenyl]anthracene
SMILESCOc1ccc(-c2c3ccccc3c(-c3ccc(C(F)(F)F)cc3)c3ccccc23)cc1
InChIInChI=1S/C28H19F3O/c1-32-21-16-12-19(13-17-21)27-24-8-4-2-6-22(24)26(23-7-3-5-9-25(23)27)18-10-14-20(15-11-18)28(29,30)31/h2-17H,1H3
InChIKeyLPCIREDYOSNWSO-UHFFFAOYSA-N
MW428.45 g/mol
LogP8.35
Rot. Bonds3

About 9-(4-methoxyphenyl)-10-[4-(trifluoromethyl)phenyl]anthracene

9-(4-methoxyphenyl)-10-[4-(trifluoromethyl)phenyl]anthracene (PubChem CID 122370617) has the molecular formula C28H19F3O and a molecular weight of 428.45 g/mol. Its IUPAC name is 9-(4-methoxyphenyl)-10-[4-(trifluoromethyl)phenyl]anthracene.

Molecular Properties

Compound Name9-(4-methoxyphenyl)-10-[4-(trifluoromethyl)phenyl]anthracene
PubChem CID122370617
Molecular FormulaC28H19F3O
Molecular Weight428.45 g/mol
Exact Mass428.14
IUPAC Name9-(4-methoxyphenyl)-10-[4-(trifluoromethyl)phenyl]anthracene
SMILESCOc1ccc(-c2c3ccccc3c(-c3ccc(C(F)(F)F)cc3)c3ccccc23)cc1
InChIInChI=1S/C28H19F3O/c1-32-21-16-12-19(13-17-21)27-24-8-4-2-6-22(24)26(23-7-3-5-9-25(23)27)18-10-14-20(15-11-18)28(29,30)31/h2-17H,1H3
InChIKeyLPCIREDYOSNWSO-UHFFFAOYSA-N
XLogP8.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.45
LogP ≤ 58.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

15,20-bis[4-(trifluoromethyl)phenyl]heptacyclo[14.10.2.02,7.08,28.09,14.019,27.021,26]octacosa-1(27),2,4,6,8(28),9,11,13,15,17,19,21,23,25-tetradecaene
CID 122205192
9-[4-(trifluoromethyl)phenyl]acridine
CID 134960902
2-methyl-7-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]pyrene
CID 167155102
2-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]furan
CID 132514370
2-(4-methoxyphenyl)-5-[4-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]phenyl]thiophene
CID 46181810
1,5-bis(4-methoxyphenyl)-2,3-diphenyl-4,6-bis(trifluoromethyl)benzene
CID 46189438
3-(4-methoxyphenyl)-1-methyl-5-phenyl-4-[4-(trifluoromethyl)phenyl]pyrazole
CID 132940971
1-[3,4-bis[4-(trifluoromethyl)phenyl]isoquinolin-1-yl]-3,4-bis[4-(trifluoromethyl)phenyl]isoquinoline
CID 169227849
9-(2-methoxyphenyl)-10-(4-methoxyphenyl)anthracene
CID 11523963
2,9-diphenyl-10-[4-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]phenyl]anthracene
CID 89025408
2-tert-butyl-6-(4-methoxyphenyl)-9,10-bis(4-phenylphenyl)anthracene
CID 59002256
9,10-bis(3,5-dimethoxyphenyl)anthracene
CID 11961931

Frequently Asked Questions

What is the IUPAC name of 9-(4-methoxyphenyl)-10-[4-(trifluoromethyl)phenyl]anthracene?
The IUPAC name of 9-(4-methoxyphenyl)-10-[4-(trifluoromethyl)phenyl]anthracene (CID 122370617) is 9-(4-methoxyphenyl)-10-[4-(trifluoromethyl)phenyl]anthracene.
What is the SMILES notation for 9-(4-methoxyphenyl)-10-[4-(trifluoromethyl)phenyl]anthracene?
The canonical SMILES for 9-(4-methoxyphenyl)-10-[4-(trifluoromethyl)phenyl]anthracene is COc1ccc(-c2c3ccccc3c(-c3ccc(C(F)(F)F)cc3)c3ccccc23)cc1.
What is the InChIKey of 9-(4-methoxyphenyl)-10-[4-(trifluoromethyl)phenyl]anthracene?
The InChIKey is LPCIREDYOSNWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19F3O/c1-32-21-16-12-19(13-17-21)27-24-8-4-2-6-22(24)26(23-7-3-5-9-25(23)27)18-10-14-20(15-11-18)28(29,30)31/h2-17H,1H3.
What are the key properties of 9-(4-methoxyphenyl)-10-[4-(trifluoromethyl)phenyl]anthracene?
9-(4-methoxyphenyl)-10-[4-(trifluoromethyl)phenyl]anthracene has a molecular weight of 428.45 g/mol, XLogP of 8.35, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-methoxyphenyl)-10-[4-(trifluoromethyl)phenyl]anthracene is sourced from PubChem (CID 122370617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).