5-(trifluoromethyl)-1,3-bis[2-(trifluoromethyl)phenyl]-2-[4-[2-(trifluoromethyl)phenyl]phenyl]benzene

C34H18F12 — CID 176828118

IUPAC5-(trifluoromethyl)-1,3-bis[2-(trifluoromethyl)phenyl]-2-[4-[2-(trifluoromethyl)phenyl]phenyl]benzene
SMILESFC(F)(F)c1cc(-c2ccccc2C(F)(F)F)c(-c2ccc(-c3ccccc3C(F)(F)F)cc2)c(-c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C34H18F12/c35-31(36,37)21-17-25(23-8-2-5-11-28(23)33(41,42)43)30(26(18-21)24-9-3-6-12-29(24)34(44,45)46)20-15-13-19(14-16-20)22-7-1-4-10-27(22)32(38,39)40/h1-18H
InChIKeyBDPYJOJPHZDROD-UHFFFAOYSA-N
MW654.49 g/mol
LogP12.43
Rot. Bonds4

About 5-(trifluoromethyl)-1,3-bis[2-(trifluoromethyl)phenyl]-2-[4-[2-(trifluoromethyl)phenyl]phenyl]benzene

5-(trifluoromethyl)-1,3-bis[2-(trifluoromethyl)phenyl]-2-[4-[2-(trifluoromethyl)phenyl]phenyl]benzene (PubChem CID 176828118) has the molecular formula C34H18F12 and a molecular weight of 654.49 g/mol. Its IUPAC name is 5-(trifluoromethyl)-1,3-bis[2-(trifluoromethyl)phenyl]-2-[4-[2-(trifluoromethyl)phenyl]phenyl]benzene.

Molecular Properties

Compound Name5-(trifluoromethyl)-1,3-bis[2-(trifluoromethyl)phenyl]-2-[4-[2-(trifluoromethyl)phenyl]phenyl]benzene
PubChem CID176828118
Molecular FormulaC34H18F12
Molecular Weight654.49 g/mol
Exact Mass654.12
IUPAC Name5-(trifluoromethyl)-1,3-bis[2-(trifluoromethyl)phenyl]-2-[4-[2-(trifluoromethyl)phenyl]phenyl]benzene
SMILESFC(F)(F)c1cc(-c2ccccc2C(F)(F)F)c(-c2ccc(-c3ccccc3C(F)(F)F)cc2)c(-c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C34H18F12/c35-31(36,37)21-17-25(23-8-2-5-11-28(23)33(41,42)43)30(26(18-21)24-9-3-6-12-29(24)34(44,45)46)20-15-13-19(14-16-20)22-7-1-4-10-27(22)32(38,39)40/h1-18H
InChIKeyBDPYJOJPHZDROD-UHFFFAOYSA-N
XLogP12.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.49
LogP ≤ 512.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-[3,5-bis(2-tert-butylphenyl)phenyl]-1,3-bis(2-tert-butylphenyl)-5-(trifluoromethyl)benzene
CID 176828165
1-[4-[4-(trifluoromethyl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]phenyl]pyrrolidin-2-one
CID 176828115
1-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]benzene
CID 3013906
2,4-bis(trifluoromethyl)-1-[2-(trifluoromethyl)phenyl]benzene
CID 134617711
1-[3-(2-oxopiperidin-1-yl)-5-[4-(trifluoromethyl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]phenyl]piperidin-2-one
CID 176828028
1,3-difluoro-2-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]benzene
CID 118846513
1,2-difluoro-4-[2-(trifluoromethyl)phenyl]benzene
CID 91807915
4-[2-(trifluoromethyl)phenyl]benzene-1,2-diamine
CID 50994110
[4-[2-(trifluoromethyl)phenyl]phenyl]boronic acid
CID 175107537
5-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]phenol
CID 118806468
2-fluoro-5-(trifluoromethyl)-3-[2-(trifluoromethyl)phenyl]pyridine
CID 133089831
1,3-bis(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]benzene
CID 119000485

Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)-1,3-bis[2-(trifluoromethyl)phenyl]-2-[4-[2-(trifluoromethyl)phenyl]phenyl]benzene?
The IUPAC name of 5-(trifluoromethyl)-1,3-bis[2-(trifluoromethyl)phenyl]-2-[4-[2-(trifluoromethyl)phenyl]phenyl]benzene (CID 176828118) is 5-(trifluoromethyl)-1,3-bis[2-(trifluoromethyl)phenyl]-2-[4-[2-(trifluoromethyl)phenyl]phenyl]benzene.
What is the SMILES notation for 5-(trifluoromethyl)-1,3-bis[2-(trifluoromethyl)phenyl]-2-[4-[2-(trifluoromethyl)phenyl]phenyl]benzene?
The canonical SMILES for 5-(trifluoromethyl)-1,3-bis[2-(trifluoromethyl)phenyl]-2-[4-[2-(trifluoromethyl)phenyl]phenyl]benzene is FC(F)(F)c1cc(-c2ccccc2C(F)(F)F)c(-c2ccc(-c3ccccc3C(F)(F)F)cc2)c(-c2ccccc2C(F)(F)F)c1.
What is the InChIKey of 5-(trifluoromethyl)-1,3-bis[2-(trifluoromethyl)phenyl]-2-[4-[2-(trifluoromethyl)phenyl]phenyl]benzene?
The InChIKey is BDPYJOJPHZDROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H18F12/c35-31(36,37)21-17-25(23-8-2-5-11-28(23)33(41,42)43)30(26(18-21)24-9-3-6-12-29(24)34(44,45)46)20-15-13-19(14-16-20)22-7-1-4-10-27(22)32(38,39)40/h1-18H.
What are the key properties of 5-(trifluoromethyl)-1,3-bis[2-(trifluoromethyl)phenyl]-2-[4-[2-(trifluoromethyl)phenyl]phenyl]benzene?
5-(trifluoromethyl)-1,3-bis[2-(trifluoromethyl)phenyl]-2-[4-[2-(trifluoromethyl)phenyl]phenyl]benzene has a molecular weight of 654.49 g/mol, XLogP of 12.43, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)-1,3-bis[2-(trifluoromethyl)phenyl]-2-[4-[2-(trifluoromethyl)phenyl]phenyl]benzene is sourced from PubChem (CID 176828118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).