3-indol-1-yl-1-[3-(trifluoromethyl)phenyl]indole

C23H15F3N2 — CID 175965802

IUPAC3-indol-1-yl-1-[3-(trifluoromethyl)phenyl]indole
SMILESFC(F)(F)c1cccc(-n2cc(-n3ccc4ccccc43)c3ccccc32)c1
InChIInChI=1S/C23H15F3N2/c24-23(25,26)17-7-5-8-18(14-17)28-15-22(19-9-2-4-11-21(19)28)27-13-12-16-6-1-3-10-20(16)27/h1-15H
InChIKeySBZHGXGVQDOWMY-UHFFFAOYSA-N
MW376.38 g/mol
LogP6.59
Rot. Bonds2

About 3-indol-1-yl-1-[3-(trifluoromethyl)phenyl]indole

3-indol-1-yl-1-[3-(trifluoromethyl)phenyl]indole (PubChem CID 175965802) has the molecular formula C23H15F3N2 and a molecular weight of 376.38 g/mol. Its IUPAC name is 3-indol-1-yl-1-[3-(trifluoromethyl)phenyl]indole.

Molecular Properties

Compound Name3-indol-1-yl-1-[3-(trifluoromethyl)phenyl]indole
PubChem CID175965802
Molecular FormulaC23H15F3N2
Molecular Weight376.38 g/mol
Exact Mass376.12
IUPAC Name3-indol-1-yl-1-[3-(trifluoromethyl)phenyl]indole
SMILESFC(F)(F)c1cccc(-n2cc(-n3ccc4ccccc43)c3ccccc32)c1
InChIInChI=1S/C23H15F3N2/c24-23(25,26)17-7-5-8-18(14-17)28-15-22(19-9-2-4-11-21(19)28)27-13-12-16-6-1-3-10-20(16)27/h1-15H
InChIKeySBZHGXGVQDOWMY-UHFFFAOYSA-N
XLogP6.59
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.38
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 1-[3-(trifluoromethyl)phenyl]indole-3-carboxylate
CID 24895075
1-[3-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridine
CID 151593977
9-[3-[4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-3-indol-1-ylcarbazole
CID 146933083
9-[3-[4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]naphthalen-1-yl]-3-(3-indol-1-ylphenyl)carbazole
CID 149231132
1-[3-(trifluoromethyl)phenyl]indazole
CID 21044942
5-phenyl-3-[1-[3-(trifluoromethyl)phenyl]indol-3-yl]-4,5-dihydro-1,2-oxazole
CID 53322241
1-[3-(trifluoromethyl)phenyl]-1,8-naphthyridin-4-one
CID 142666921
1-oxo-2-[3-(trifluoromethyl)phenyl]isoquinoline-4-carboxylic acid
CID 4101882
5-(4-methoxyphenyl)-3-[1-[3-(trifluoromethyl)phenyl]indol-3-yl]-4,5-dihydro-1,2-oxazole
CID 53322240
1-phenyl-3-[2-[3-[2-(1-phenylindol-3-yl)propan-2-yl]phenyl]propan-2-yl]indole
CID 59307596
1-[2-chloro-4-(trifluoromethyl)phenyl]indol-4-amine
CID 176884698
2-[3-(trifluoromethyl)phenyl]phthalazin-1-one
CID 2380587

Frequently Asked Questions

What is the IUPAC name of 3-indol-1-yl-1-[3-(trifluoromethyl)phenyl]indole?
The IUPAC name of 3-indol-1-yl-1-[3-(trifluoromethyl)phenyl]indole (CID 175965802) is 3-indol-1-yl-1-[3-(trifluoromethyl)phenyl]indole.
What is the SMILES notation for 3-indol-1-yl-1-[3-(trifluoromethyl)phenyl]indole?
The canonical SMILES for 3-indol-1-yl-1-[3-(trifluoromethyl)phenyl]indole is FC(F)(F)c1cccc(-n2cc(-n3ccc4ccccc43)c3ccccc32)c1.
What is the InChIKey of 3-indol-1-yl-1-[3-(trifluoromethyl)phenyl]indole?
The InChIKey is SBZHGXGVQDOWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F3N2/c24-23(25,26)17-7-5-8-18(14-17)28-15-22(19-9-2-4-11-21(19)28)27-13-12-16-6-1-3-10-20(16)27/h1-15H.
What are the key properties of 3-indol-1-yl-1-[3-(trifluoromethyl)phenyl]indole?
3-indol-1-yl-1-[3-(trifluoromethyl)phenyl]indole has a molecular weight of 376.38 g/mol, XLogP of 6.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-indol-1-yl-1-[3-(trifluoromethyl)phenyl]indole is sourced from PubChem (CID 175965802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).