1-[[diphenyl-[4-(2,2,2-trifluoroethyl)phenyl]methoxy]-diphenylmethyl]-4-(2,2,2-trifluoroethyl)benzene

C42H32F6O — CID 57024994

IUPAC1-[[diphenyl-[4-(2,2,2-trifluoroethyl)phenyl]methoxy]-diphenylmethyl]-4-(2,2,2-trifluoroethyl)benzene
SMILESFC(F)(F)Cc1ccc(C(OC(c2ccccc2)(c2ccccc2)c2ccc(CC(F)(F)F)cc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C42H32F6O/c43-39(44,45)29-31-21-25-37(26-22-31)41(33-13-5-1-6-14-33,34-15-7-2-8-16-34)49-42(35-17-9-3-10-18-35,36-19-11-4-12-20-36)38-27-23-32(24-28-38)30-40(46,47)48/h1-28H,29-30H2
InChIKeyWAQHPJDAEYPPJK-UHFFFAOYSA-N
MW666.71 g/mol
LogP11.20
Rot. Bonds10

About 1-[[diphenyl-[4-(2,2,2-trifluoroethyl)phenyl]methoxy]-diphenylmethyl]-4-(2,2,2-trifluoroethyl)benzene

1-[[diphenyl-[4-(2,2,2-trifluoroethyl)phenyl]methoxy]-diphenylmethyl]-4-(2,2,2-trifluoroethyl)benzene (PubChem CID 57024994) has the molecular formula C42H32F6O and a molecular weight of 666.71 g/mol. Its IUPAC name is 1-[[diphenyl-[4-(2,2,2-trifluoroethyl)phenyl]methoxy]-diphenylmethyl]-4-(2,2,2-trifluoroethyl)benzene.

Molecular Properties

Compound Name1-[[diphenyl-[4-(2,2,2-trifluoroethyl)phenyl]methoxy]-diphenylmethyl]-4-(2,2,2-trifluoroethyl)benzene
PubChem CID57024994
Molecular FormulaC42H32F6O
Molecular Weight666.71 g/mol
Exact Mass666.24
IUPAC Name1-[[diphenyl-[4-(2,2,2-trifluoroethyl)phenyl]methoxy]-diphenylmethyl]-4-(2,2,2-trifluoroethyl)benzene
SMILESFC(F)(F)Cc1ccc(C(OC(c2ccccc2)(c2ccccc2)c2ccc(CC(F)(F)F)cc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C42H32F6O/c43-39(44,45)29-31-21-25-37(26-22-31)41(33-13-5-1-6-14-33,34-15-7-2-8-16-34)49-42(35-17-9-3-10-18-35,36-19-11-4-12-20-36)38-27-23-32(24-28-38)30-40(46,47)48/h1-28H,29-30H2
InChIKeyWAQHPJDAEYPPJK-UHFFFAOYSA-N
XLogP11.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.71
LogP ≤ 511.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[[diphenyl-[4-(2,2,2-trifluoroethyl)phenyl]methoxy]-diphenylmethyl]-4-(2,2,2-trifluoroethyl)benzene?
The IUPAC name of 1-[[diphenyl-[4-(2,2,2-trifluoroethyl)phenyl]methoxy]-diphenylmethyl]-4-(2,2,2-trifluoroethyl)benzene (CID 57024994) is 1-[[diphenyl-[4-(2,2,2-trifluoroethyl)phenyl]methoxy]-diphenylmethyl]-4-(2,2,2-trifluoroethyl)benzene.
What is the SMILES notation for 1-[[diphenyl-[4-(2,2,2-trifluoroethyl)phenyl]methoxy]-diphenylmethyl]-4-(2,2,2-trifluoroethyl)benzene?
The canonical SMILES for 1-[[diphenyl-[4-(2,2,2-trifluoroethyl)phenyl]methoxy]-diphenylmethyl]-4-(2,2,2-trifluoroethyl)benzene is FC(F)(F)Cc1ccc(C(OC(c2ccccc2)(c2ccccc2)c2ccc(CC(F)(F)F)cc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1-[[diphenyl-[4-(2,2,2-trifluoroethyl)phenyl]methoxy]-diphenylmethyl]-4-(2,2,2-trifluoroethyl)benzene?
The InChIKey is WAQHPJDAEYPPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H32F6O/c43-39(44,45)29-31-21-25-37(26-22-31)41(33-13-5-1-6-14-33,34-15-7-2-8-16-34)49-42(35-17-9-3-10-18-35,36-19-11-4-12-20-36)38-27-23-32(24-28-38)30-40(46,47)48/h1-28H,29-30H2.
What are the key properties of 1-[[diphenyl-[4-(2,2,2-trifluoroethyl)phenyl]methoxy]-diphenylmethyl]-4-(2,2,2-trifluoroethyl)benzene?
1-[[diphenyl-[4-(2,2,2-trifluoroethyl)phenyl]methoxy]-diphenylmethyl]-4-(2,2,2-trifluoroethyl)benzene has a molecular weight of 666.71 g/mol, XLogP of 11.20, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[diphenyl-[4-(2,2,2-trifluoroethyl)phenyl]methoxy]-diphenylmethyl]-4-(2,2,2-trifluoroethyl)benzene is sourced from PubChem (CID 57024994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).