1-benzyl-6-[1-[[2-(trifluoromethyl)phenyl]methyl]indol-6-yl]indole

C31H23F3N2 — CID 56851758

IUPAC1-benzyl-6-[1-[[2-(trifluoromethyl)phenyl]methyl]indol-6-yl]indole
SMILESFC(F)(F)c1ccccc1Cn1ccc2ccc(-c3ccc4ccn(Cc5ccccc5)c4c3)cc21
InChIInChI=1S/C31H23F3N2/c32-31(33,34)28-9-5-4-8-27(28)21-36-17-15-24-11-13-26(19-30(24)36)25-12-10-23-14-16-35(29(23)18-25)20-22-6-2-1-3-7-22/h1-19H,20-21H2
InChIKeyBHACWUNNIACBDA-UHFFFAOYSA-N
MW480.53 g/mol
LogP8.38
Rot. Bonds5

About 1-benzyl-6-[1-[[2-(trifluoromethyl)phenyl]methyl]indol-6-yl]indole

1-benzyl-6-[1-[[2-(trifluoromethyl)phenyl]methyl]indol-6-yl]indole (PubChem CID 56851758) has the molecular formula C31H23F3N2 and a molecular weight of 480.53 g/mol. Its IUPAC name is 1-benzyl-6-[1-[[2-(trifluoromethyl)phenyl]methyl]indol-6-yl]indole.

Molecular Properties

Compound Name1-benzyl-6-[1-[[2-(trifluoromethyl)phenyl]methyl]indol-6-yl]indole
PubChem CID56851758
Molecular FormulaC31H23F3N2
Molecular Weight480.53 g/mol
Exact Mass480.18
IUPAC Name1-benzyl-6-[1-[[2-(trifluoromethyl)phenyl]methyl]indol-6-yl]indole
SMILESFC(F)(F)c1ccccc1Cn1ccc2ccc(-c3ccc4ccn(Cc5ccccc5)c4c3)cc21
InChIInChI=1S/C31H23F3N2/c32-31(33,34)28-9-5-4-8-27(28)21-36-17-15-24-11-13-26(19-30(24)36)25-12-10-23-14-16-35(29(23)18-25)20-22-6-2-1-3-7-22/h1-19H,20-21H2
InChIKeyBHACWUNNIACBDA-UHFFFAOYSA-N
XLogP8.38
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.53
LogP ≤ 58.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6-[1-[[2-(trifluoromethyl)phenyl]methyl]indol-6-yl]indole?
The IUPAC name of 1-benzyl-6-[1-[[2-(trifluoromethyl)phenyl]methyl]indol-6-yl]indole (CID 56851758) is 1-benzyl-6-[1-[[2-(trifluoromethyl)phenyl]methyl]indol-6-yl]indole.
What is the SMILES notation for 1-benzyl-6-[1-[[2-(trifluoromethyl)phenyl]methyl]indol-6-yl]indole?
The canonical SMILES for 1-benzyl-6-[1-[[2-(trifluoromethyl)phenyl]methyl]indol-6-yl]indole is FC(F)(F)c1ccccc1Cn1ccc2ccc(-c3ccc4ccn(Cc5ccccc5)c4c3)cc21.
What is the InChIKey of 1-benzyl-6-[1-[[2-(trifluoromethyl)phenyl]methyl]indol-6-yl]indole?
The InChIKey is BHACWUNNIACBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23F3N2/c32-31(33,34)28-9-5-4-8-27(28)21-36-17-15-24-11-13-26(19-30(24)36)25-12-10-23-14-16-35(29(23)18-25)20-22-6-2-1-3-7-22/h1-19H,20-21H2.
What are the key properties of 1-benzyl-6-[1-[[2-(trifluoromethyl)phenyl]methyl]indol-6-yl]indole?
1-benzyl-6-[1-[[2-(trifluoromethyl)phenyl]methyl]indol-6-yl]indole has a molecular weight of 480.53 g/mol, XLogP of 8.38, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6-[1-[[2-(trifluoromethyl)phenyl]methyl]indol-6-yl]indole is sourced from PubChem (CID 56851758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).