3-[1H-indol-3-yl-[4-(trifluoromethoxy)phenyl]methyl]-1H-indole

C24H17F3N2O — CID 11718393

IUPAC3-[1H-indol-3-yl-[4-(trifluoromethoxy)phenyl]methyl]-1H-indole
SMILESFC(F)(F)Oc1ccc(C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C24H17F3N2O/c25-24(26,27)30-16-11-9-15(10-12-16)23(19-13-28-21-7-3-1-5-17(19)21)20-14-29-22-8-4-2-6-18(20)22/h1-14,23,28-29H
InChIKeyQMSYPGUBMGEODQ-UHFFFAOYSA-N
MW406.41 g/mol
LogP6.73
Rot. Bonds4

About 3-[1H-indol-3-yl-[4-(trifluoromethoxy)phenyl]methyl]-1H-indole

3-[1H-indol-3-yl-[4-(trifluoromethoxy)phenyl]methyl]-1H-indole (PubChem CID 11718393) has the molecular formula C24H17F3N2O and a molecular weight of 406.41 g/mol. Its IUPAC name is 3-[1H-indol-3-yl-[4-(trifluoromethoxy)phenyl]methyl]-1H-indole.

Molecular Properties

Compound Name3-[1H-indol-3-yl-[4-(trifluoromethoxy)phenyl]methyl]-1H-indole
PubChem CID11718393
Molecular FormulaC24H17F3N2O
Molecular Weight406.41 g/mol
Exact Mass406.13
IUPAC Name3-[1H-indol-3-yl-[4-(trifluoromethoxy)phenyl]methyl]-1H-indole
SMILESFC(F)(F)Oc1ccc(C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C24H17F3N2O/c25-24(26,27)30-16-11-9-15(10-12-16)23(19-13-28-21-7-3-1-5-17(19)21)20-14-29-22-8-4-2-6-18(20)22/h1-14,23,28-29H
InChIKeyQMSYPGUBMGEODQ-UHFFFAOYSA-N
XLogP6.73
TPSA40.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.41
LogP ≤ 56.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[1H-indol-3-yl-[4-(trifluoromethoxy)phenyl]methyl]-1H-indole?
The IUPAC name of 3-[1H-indol-3-yl-[4-(trifluoromethoxy)phenyl]methyl]-1H-indole (CID 11718393) is 3-[1H-indol-3-yl-[4-(trifluoromethoxy)phenyl]methyl]-1H-indole.
What is the SMILES notation for 3-[1H-indol-3-yl-[4-(trifluoromethoxy)phenyl]methyl]-1H-indole?
The canonical SMILES for 3-[1H-indol-3-yl-[4-(trifluoromethoxy)phenyl]methyl]-1H-indole is FC(F)(F)Oc1ccc(C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)cc1.
What is the InChIKey of 3-[1H-indol-3-yl-[4-(trifluoromethoxy)phenyl]methyl]-1H-indole?
The InChIKey is QMSYPGUBMGEODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F3N2O/c25-24(26,27)30-16-11-9-15(10-12-16)23(19-13-28-21-7-3-1-5-17(19)21)20-14-29-22-8-4-2-6-18(20)22/h1-14,23,28-29H.
What are the key properties of 3-[1H-indol-3-yl-[4-(trifluoromethoxy)phenyl]methyl]-1H-indole?
3-[1H-indol-3-yl-[4-(trifluoromethoxy)phenyl]methyl]-1H-indole has a molecular weight of 406.41 g/mol, XLogP of 6.73, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1H-indol-3-yl-[4-(trifluoromethoxy)phenyl]methyl]-1H-indole is sourced from PubChem (CID 11718393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).