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

C27H17F6+ — CID 175242058

IUPAC1-[2-(diphenylmethyl)phenyl]-3,5-bis(trifluoromethyl)benzene
SMILESFC(F)(F)c1cc(-c2ccccc2[C+](c2ccccc2)c2ccccc2)cc(C(F)(F)F)c1
InChIInChI=1S/C27H17F6/c28-26(29,30)21-15-20(16-22(17-21)27(31,32)33)23-13-7-8-14-24(23)25(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17H/q+1
InChIKeyMOJHBAOYTKCQCD-UHFFFAOYSA-N
MW455.42 g/mol
LogP8.41
Rot. Bonds4

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

1-[2-(diphenylmethyl)phenyl]-3,5-bis(trifluoromethyl)benzene (PubChem CID 175242058) has the molecular formula C27H17F6+ and a molecular weight of 455.42 g/mol. Its IUPAC name is 1-[2-(diphenylmethyl)phenyl]-3,5-bis(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-[2-(diphenylmethyl)phenyl]-3,5-bis(trifluoromethyl)benzene
PubChem CID175242058
Molecular FormulaC27H17F6+
Molecular Weight455.42 g/mol
Exact Mass455.12
IUPAC Name1-[2-(diphenylmethyl)phenyl]-3,5-bis(trifluoromethyl)benzene
SMILESFC(F)(F)c1cc(-c2ccccc2[C+](c2ccccc2)c2ccccc2)cc(C(F)(F)F)c1
InChIInChI=1S/C27H17F6/c28-26(29,30)21-15-20(16-22(17-21)27(31,32)33)23-13-7-8-14-24(23)25(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17H/q+1
InChIKeyMOJHBAOYTKCQCD-UHFFFAOYSA-N
XLogP8.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.42
LogP ≤ 58.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

diphenylmethylbenzene;tetrakis[3,5-bis(trifluoromethyl)phenyl]alumanuide
CID 23120592
1,3-bis[3,5-bis(trifluoromethyl)phenyl]-2-methylbenzene
CID 163637967
4-[3,5-bis(trifluoromethyl)phenyl]-N-[4-[3,5-bis(trifluoromethyl)phenyl]naphthalen-1-yl]naphthalen-1-amine
CID 162717087
1-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-3,5-bis(trifluoromethyl)benzene
CID 163216983
1-phenylethylbenzene;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide
CID 18783224
1-[3,5-bis(trifluoromethyl)phenyl]-9-[1-[3,5-bis(trifluoromethyl)phenyl]anthracen-9-yl]anthracene
CID 172555386
1-methyl-3-phenyl-5-(trifluoromethyl)benzene
CID 46315073
4-[3,5-bis(trifluoromethyl)phenyl]-1H-indole
CID 59107889
4-[3,5-bis(trifluoromethyl)phenyl]-2-(trifluoromethyl)-1H-indene
CID 173192696
3-(2-methylsulfanylphenyl)-5-(trifluoromethyl)benzoic acid
CID 53226384
[2,4-bis[3,5-bis(trifluoromethyl)phenyl]phenyl]phosphane
CID 140656274
1-fluoro-2-[3-(trifluoromethyl)phenyl]benzene
CID 46311910

Frequently Asked Questions

What is the IUPAC name of 1-[2-(diphenylmethyl)phenyl]-3,5-bis(trifluoromethyl)benzene?
The IUPAC name of 1-[2-(diphenylmethyl)phenyl]-3,5-bis(trifluoromethyl)benzene (CID 175242058) is 1-[2-(diphenylmethyl)phenyl]-3,5-bis(trifluoromethyl)benzene.
What is the SMILES notation for 1-[2-(diphenylmethyl)phenyl]-3,5-bis(trifluoromethyl)benzene?
The canonical SMILES for 1-[2-(diphenylmethyl)phenyl]-3,5-bis(trifluoromethyl)benzene is FC(F)(F)c1cc(-c2ccccc2[C+](c2ccccc2)c2ccccc2)cc(C(F)(F)F)c1.
What is the InChIKey of 1-[2-(diphenylmethyl)phenyl]-3,5-bis(trifluoromethyl)benzene?
The InChIKey is MOJHBAOYTKCQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17F6/c28-26(29,30)21-15-20(16-22(17-21)27(31,32)33)23-13-7-8-14-24(23)25(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17H/q+1.
What are the key properties of 1-[2-(diphenylmethyl)phenyl]-3,5-bis(trifluoromethyl)benzene?
1-[2-(diphenylmethyl)phenyl]-3,5-bis(trifluoromethyl)benzene has a molecular weight of 455.42 g/mol, XLogP of 8.41, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diphenylmethyl)phenyl]-3,5-bis(trifluoromethyl)benzene is sourced from PubChem (CID 175242058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).