6-[bis(4-chlorophenyl)methyl]-4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]quinoline

C31H20Cl2F3N — CID 118329957

IUPAC6-[bis(4-chlorophenyl)methyl]-4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]quinoline
SMILESFC(F)(F)c1ccc(/C=C/c2ccnc3ccc(C(c4ccc(Cl)cc4)c4ccc(Cl)cc4)cc23)cc1
InChIInChI=1S/C31H20Cl2F3N/c32-26-12-5-22(6-13-26)30(23-7-14-27(33)15-8-23)24-9-16-29-28(19-24)21(17-18-37-29)4-1-20-2-10-25(11-3-20)31(34,35)36/h1-19,30H/b4-1+
InChIKeyXJVPJOOEBRWFRK-DAFODLJHSA-N
MW534.41 g/mol
LogP9.91
Rot. Bonds5

About 6-[bis(4-chlorophenyl)methyl]-4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]quinoline

6-[bis(4-chlorophenyl)methyl]-4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]quinoline (PubChem CID 118329957) has the molecular formula C31H20Cl2F3N and a molecular weight of 534.41 g/mol. Its IUPAC name is 6-[bis(4-chlorophenyl)methyl]-4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]quinoline.

Molecular Properties

Compound Name6-[bis(4-chlorophenyl)methyl]-4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]quinoline
PubChem CID118329957
Molecular FormulaC31H20Cl2F3N
Molecular Weight534.41 g/mol
Exact Mass533.09
IUPAC Name6-[bis(4-chlorophenyl)methyl]-4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]quinoline
SMILESFC(F)(F)c1ccc(/C=C/c2ccnc3ccc(C(c4ccc(Cl)cc4)c4ccc(Cl)cc4)cc23)cc1
InChIInChI=1S/C31H20Cl2F3N/c32-26-12-5-22(6-13-26)30(23-7-14-27(33)15-8-23)24-9-16-29-28(19-24)21(17-18-37-29)4-1-20-2-10-25(11-3-20)31(34,35)36/h1-19,30H/b4-1+
InChIKeyXJVPJOOEBRWFRK-DAFODLJHSA-N
XLogP9.91
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.41
LogP ≤ 59.91
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 6-[bis(4-chlorophenyl)methyl]-4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]quinoline?
The IUPAC name of 6-[bis(4-chlorophenyl)methyl]-4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]quinoline (CID 118329957) is 6-[bis(4-chlorophenyl)methyl]-4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]quinoline.
What is the SMILES notation for 6-[bis(4-chlorophenyl)methyl]-4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]quinoline?
The canonical SMILES for 6-[bis(4-chlorophenyl)methyl]-4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]quinoline is FC(F)(F)c1ccc(/C=C/c2ccnc3ccc(C(c4ccc(Cl)cc4)c4ccc(Cl)cc4)cc23)cc1.
What is the InChIKey of 6-[bis(4-chlorophenyl)methyl]-4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]quinoline?
The InChIKey is XJVPJOOEBRWFRK-DAFODLJHSA-N. The full InChI is InChI=1S/C31H20Cl2F3N/c32-26-12-5-22(6-13-26)30(23-7-14-27(33)15-8-23)24-9-16-29-28(19-24)21(17-18-37-29)4-1-20-2-10-25(11-3-20)31(34,35)36/h1-19,30H/b4-1+.
What are the key properties of 6-[bis(4-chlorophenyl)methyl]-4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]quinoline?
6-[bis(4-chlorophenyl)methyl]-4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]quinoline has a molecular weight of 534.41 g/mol, XLogP of 9.91, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[bis(4-chlorophenyl)methyl]-4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]quinoline is sourced from PubChem (CID 118329957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).