1,2,4-triphenyl-3,5,6-tris(trifluoromethyl)benzene

C27H15F9 — CID 101171777

IUPAC1,2,4-triphenyl-3,5,6-tris(trifluoromethyl)benzene
SMILESFC(F)(F)c1c(-c2ccccc2)c(-c2ccccc2)c(C(F)(F)F)c(C(F)(F)F)c1-c1ccccc1
InChIInChI=1S/C27H15F9/c28-25(29,30)22-19(16-10-4-1-5-11-16)20(17-12-6-2-7-13-17)23(26(31,32)33)24(27(34,35)36)21(22)18-14-8-3-9-15-18/h1-15H
InChIKeyQUSHYQPMHAUCRT-UHFFFAOYSA-N
MW510.40 g/mol
LogP9.74
Rot. Bonds3

About 1,2,4-triphenyl-3,5,6-tris(trifluoromethyl)benzene

1,2,4-triphenyl-3,5,6-tris(trifluoromethyl)benzene (PubChem CID 101171777) has the molecular formula C27H15F9 and a molecular weight of 510.40 g/mol. Its IUPAC name is 1,2,4-triphenyl-3,5,6-tris(trifluoromethyl)benzene.

Molecular Properties

Compound Name1,2,4-triphenyl-3,5,6-tris(trifluoromethyl)benzene
PubChem CID101171777
Molecular FormulaC27H15F9
Molecular Weight510.40 g/mol
Exact Mass510.10
IUPAC Name1,2,4-triphenyl-3,5,6-tris(trifluoromethyl)benzene
SMILESFC(F)(F)c1c(-c2ccccc2)c(-c2ccccc2)c(C(F)(F)F)c(C(F)(F)F)c1-c1ccccc1
InChIInChI=1S/C27H15F9/c28-25(29,30)22-19(16-10-4-1-5-11-16)20(17-12-6-2-7-13-17)23(26(31,32)33)24(27(34,35)36)21(22)18-14-8-3-9-15-18/h1-15H
InChIKeyQUSHYQPMHAUCRT-UHFFFAOYSA-N
XLogP9.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.40
LogP ≤ 59.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Benzo[a]pyrene
CID 2336
Anthracene
CID 8418
Phenanthrene
CID 995
Pyrene
CID 31423
BENZ(a)ANTHRACENE
CID 5954
7,12-Dimethylbenz(a)anthracene
CID 6001
Benzo(ghi)perylene
CID 9117
Benzo(E)Pyrene
CID 9128
Chrysene
CID 9171
1-Methylpyrene
CID 16932
Dibenzo(a,l)pyrene
CID 9119
DIBENZ(a,h)ANTHRACENE
CID 5889

Frequently Asked Questions

What is the IUPAC name of 1,2,4-triphenyl-3,5,6-tris(trifluoromethyl)benzene?
The IUPAC name of 1,2,4-triphenyl-3,5,6-tris(trifluoromethyl)benzene (CID 101171777) is 1,2,4-triphenyl-3,5,6-tris(trifluoromethyl)benzene.
What is the SMILES notation for 1,2,4-triphenyl-3,5,6-tris(trifluoromethyl)benzene?
The canonical SMILES for 1,2,4-triphenyl-3,5,6-tris(trifluoromethyl)benzene is FC(F)(F)c1c(-c2ccccc2)c(-c2ccccc2)c(C(F)(F)F)c(C(F)(F)F)c1-c1ccccc1.
What is the InChIKey of 1,2,4-triphenyl-3,5,6-tris(trifluoromethyl)benzene?
The InChIKey is QUSHYQPMHAUCRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H15F9/c28-25(29,30)22-19(16-10-4-1-5-11-16)20(17-12-6-2-7-13-17)23(26(31,32)33)24(27(34,35)36)21(22)18-14-8-3-9-15-18/h1-15H.
What are the key properties of 1,2,4-triphenyl-3,5,6-tris(trifluoromethyl)benzene?
1,2,4-triphenyl-3,5,6-tris(trifluoromethyl)benzene has a molecular weight of 510.40 g/mol, XLogP of 9.74, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-triphenyl-3,5,6-tris(trifluoromethyl)benzene is sourced from PubChem (CID 101171777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).