9-phenyl-10-[4-(trifluoromethoxy)phenyl]anthracene

C27H17F3O — CID 170391358

IUPAC9-phenyl-10-[4-(trifluoromethoxy)phenyl]anthracene
SMILESFC(F)(F)Oc1ccc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C27H17F3O/c28-27(29,30)31-20-16-14-19(15-17-20)26-23-12-6-4-10-21(23)25(18-8-2-1-3-9-18)22-11-5-7-13-24(22)26/h1-17H
InChIKeyRUOWWKUHSULSET-UHFFFAOYSA-N
MW414.43 g/mol
LogP8.23
Rot. Bonds3

About 9-phenyl-10-[4-(trifluoromethoxy)phenyl]anthracene

9-phenyl-10-[4-(trifluoromethoxy)phenyl]anthracene (PubChem CID 170391358) has the molecular formula C27H17F3O and a molecular weight of 414.43 g/mol. Its IUPAC name is 9-phenyl-10-[4-(trifluoromethoxy)phenyl]anthracene.

Molecular Properties

Compound Name9-phenyl-10-[4-(trifluoromethoxy)phenyl]anthracene
PubChem CID170391358
Molecular FormulaC27H17F3O
Molecular Weight414.43 g/mol
Exact Mass414.12
IUPAC Name9-phenyl-10-[4-(trifluoromethoxy)phenyl]anthracene
SMILESFC(F)(F)Oc1ccc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C27H17F3O/c28-27(29,30)31-20-16-14-19(15-17-20)26-23-12-6-4-10-21(23)25(18-8-2-1-3-9-18)22-11-5-7-13-24(22)26/h1-17H
InChIKeyRUOWWKUHSULSET-UHFFFAOYSA-N
XLogP8.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.43
LogP ≤ 58.23
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

10-[4-(trifluoromethoxy)phenyl]anthracene-9-carbonitrile
CID 170561650
trifluoromethoxybenzene
CID 157402708
trifluoromethoxybenzene fluoride
CID 158305019
2-[4-[3,5-bis[4-(trifluoromethoxy)phenyl]phenyl]phenyl]-4,5,6-triphenylpyrimidine
CID 155140916
(4-phenylphenyl) 4-(trifluoromethoxy)benzoate
CID 7926515
1-bromo-4-(trifluoromethoxy)benzene;trifluoromethoxybenzene
CID 157398822
1-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-4-phenylbenzene
CID 59927340
2-(trifluoromethoxy)triphenylene
CID 154001040
2-methyl-5-phenylpyridine;2-methyl-5-[4-(trifluoromethoxy)phenyl]pyridine
CID 158386173
methane;9-(4-phenylphenyl)-10-[10-(4-phenylphenyl)anthracen-9-yl]anthracene
CID 143224896
1-(trifluoromethoxy)-2-[4-(trifluoromethoxy)phenyl]benzene
CID 90959680
2-[4-(trifluoromethoxy)phenyl]phenol
CID 23225048

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-10-[4-(trifluoromethoxy)phenyl]anthracene?
The IUPAC name of 9-phenyl-10-[4-(trifluoromethoxy)phenyl]anthracene (CID 170391358) is 9-phenyl-10-[4-(trifluoromethoxy)phenyl]anthracene.
What is the SMILES notation for 9-phenyl-10-[4-(trifluoromethoxy)phenyl]anthracene?
The canonical SMILES for 9-phenyl-10-[4-(trifluoromethoxy)phenyl]anthracene is FC(F)(F)Oc1ccc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)cc1.
What is the InChIKey of 9-phenyl-10-[4-(trifluoromethoxy)phenyl]anthracene?
The InChIKey is RUOWWKUHSULSET-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17F3O/c28-27(29,30)31-20-16-14-19(15-17-20)26-23-12-6-4-10-21(23)25(18-8-2-1-3-9-18)22-11-5-7-13-24(22)26/h1-17H.
What are the key properties of 9-phenyl-10-[4-(trifluoromethoxy)phenyl]anthracene?
9-phenyl-10-[4-(trifluoromethoxy)phenyl]anthracene has a molecular weight of 414.43 g/mol, XLogP of 8.23, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-10-[4-(trifluoromethoxy)phenyl]anthracene is sourced from PubChem (CID 170391358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).