1-methyl-4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]benzene

C26H19F3 — CID 59630308

IUPAC1-methyl-4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]benzene
SMILESCc1ccc(-c2ccc(-c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)cc2)cc1
InChIInChI=1S/C26H19F3/c1-18-2-4-19(5-3-18)20-6-8-21(9-7-20)22-10-12-23(13-11-22)24-14-16-25(17-15-24)26(27,28)29/h2-17H,1H3
InChIKeyOZLIQBXAUUNYLV-UHFFFAOYSA-N
MW388.43 g/mol
LogP8.01
Rot. Bonds3

About 1-methyl-4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]benzene

1-methyl-4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]benzene (PubChem CID 59630308) has the molecular formula C26H19F3 and a molecular weight of 388.43 g/mol. Its IUPAC name is 1-methyl-4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]benzene.

Molecular Properties

Compound Name1-methyl-4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]benzene
PubChem CID59630308
Molecular FormulaC26H19F3
Molecular Weight388.43 g/mol
Exact Mass388.14
IUPAC Name1-methyl-4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]benzene
SMILESCc1ccc(-c2ccc(-c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)cc2)cc1
InChIInChI=1S/C26H19F3/c1-18-2-4-19(5-3-18)20-6-8-21(9-7-20)22-10-12-23(13-11-22)24-14-16-25(17-15-24)26(27,28)29/h2-17H,1H3
InChIKeyOZLIQBXAUUNYLV-UHFFFAOYSA-N
XLogP8.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.43
LogP ≤ 58.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-methyl-4-(trifluoromethyl)benzene bromide
CID 158317252
1-methyl-4-(trifluoromethyl)benzene;toluene
CID 159876070
2-methyl-6-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalene
CID 162565704
3-(4-methylphenyl)-10-[4-(trifluoromethyl)phenyl]picene
CID 58426560
1-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethyl]benzene
CID 20686233
1-[dichloro(fluoro)methyl]-4-methylbenzene
CID 70232782
1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[1,1,1-trifluoro-2-(4-methylphenyl)propan-2-yl]benzene
CID 157463661
2-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]cyclohexa-2,5-diene-1,4-dione
CID 118119510
1-methyl-4-[1-[4-(trifluoromethyl)phenyl]ethenyl]benzene
CID 101368482
1-methyl-4-[4-(trifluoromethyl)phenyl]sulfonylbenzene
CID 25017943
(S)-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]methanol
CID 822066
1-[difluoro-(4-methylphenyl)methyl]-4-methylbenzene
CID 14938913

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]benzene?
The IUPAC name of 1-methyl-4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]benzene (CID 59630308) is 1-methyl-4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]benzene.
What is the SMILES notation for 1-methyl-4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]benzene?
The canonical SMILES for 1-methyl-4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]benzene is Cc1ccc(-c2ccc(-c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)cc2)cc1.
What is the InChIKey of 1-methyl-4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]benzene?
The InChIKey is OZLIQBXAUUNYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F3/c1-18-2-4-19(5-3-18)20-6-8-21(9-7-20)22-10-12-23(13-11-22)24-14-16-25(17-15-24)26(27,28)29/h2-17H,1H3.
What are the key properties of 1-methyl-4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]benzene?
1-methyl-4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]benzene has a molecular weight of 388.43 g/mol, XLogP of 8.01, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]benzene is sourced from PubChem (CID 59630308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).