3-[(5-hydroxy-1H-indol-3-yl)-[4-(trifluoromethyl)phenyl]methyl]-1H-indol-5-ol

C24H17F3N2O2 — CID 139526498

IUPAC3-[(5-hydroxy-1H-indol-3-yl)-[4-(trifluoromethyl)phenyl]methyl]-1H-indol-5-ol
SMILESOc1ccc2[nH]cc(C(c3ccc(C(F)(F)F)cc3)c3c[nH]c4ccc(O)cc34)c2c1
InChIInChI=1S/C24H17F3N2O2/c25-24(26,27)14-3-1-13(2-4-14)23(19-11-28-21-7-5-15(30)9-17(19)21)20-12-29-22-8-6-16(31)10-18(20)22/h1-12,23,28-31H
InChIKeyKTPWXXGSFVVHNZ-UHFFFAOYSA-N
MW422.41 g/mol
LogP6.26
Rot. Bonds3

About 3-[(5-hydroxy-1H-indol-3-yl)-[4-(trifluoromethyl)phenyl]methyl]-1H-indol-5-ol

3-[(5-hydroxy-1H-indol-3-yl)-[4-(trifluoromethyl)phenyl]methyl]-1H-indol-5-ol (PubChem CID 139526498) has the molecular formula C24H17F3N2O2 and a molecular weight of 422.41 g/mol. Its IUPAC name is 3-[(5-hydroxy-1H-indol-3-yl)-[4-(trifluoromethyl)phenyl]methyl]-1H-indol-5-ol.

Molecular Properties

Compound Name3-[(5-hydroxy-1H-indol-3-yl)-[4-(trifluoromethyl)phenyl]methyl]-1H-indol-5-ol
PubChem CID139526498
Molecular FormulaC24H17F3N2O2
Molecular Weight422.41 g/mol
Exact Mass422.12
IUPAC Name3-[(5-hydroxy-1H-indol-3-yl)-[4-(trifluoromethyl)phenyl]methyl]-1H-indol-5-ol
SMILESOc1ccc2[nH]cc(C(c3ccc(C(F)(F)F)cc3)c3c[nH]c4ccc(O)cc34)c2c1
InChIInChI=1S/C24H17F3N2O2/c25-24(26,27)14-3-1-13(2-4-14)23(19-11-28-21-7-5-15(30)9-17(19)21)20-12-29-22-8-6-16(31)10-18(20)22/h1-12,23,28-31H
InChIKeyKTPWXXGSFVVHNZ-UHFFFAOYSA-N
XLogP6.26
TPSA72.04 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.41
LogP ≤ 56.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Analyze 3-[(5-hydroxy-1H-indol-3-yl)-[4-(trifluoromethyl)phenyl]methyl]-1H-indol-5-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-[1H-indol-3-yl-[4-(trifluoromethyl)phenyl]methyl]-1H-indol-5-yl]benzotriazole
CID 155772221
3-(3-amino-1,1,1-trifluoropropan-2-yl)-1H-indol-5-ol
CID 84737251
3-[1H-indol-3-yl-[4-(trifluoromethyl)phenyl]methyl]-4-methyl-1H-indole;hydrochloride
CID 175089456
2-(5-hydroxy-1H-indol-3-yl)propanedioic acid
CID 91074600
3-[(4-chlorophenyl)-(5-fluoro-1H-indol-3-yl)methyl]-5-fluoro-1H-indole
CID 139526052
3-[(2S)-1-aminopropan-2-yl]-1H-indol-5-ol
CID 23928157
3-[2-[4-[2,2-bis(5-hydroxy-1H-indol-3-yl)ethyl]phenyl]-1-(5-hydroxy-1H-indol-3-yl)ethyl]-1H-indol-5-ol
CID 155565501
3-fluoro-1H-indol-5-ol
CID 105429509
1-butyl-3-[1H-indol-3-yl-[4-(trifluoromethyl)phenyl]methyl]indole
CID 139526216
(3Z)-3-[(5-hydroxy-1H-indol-3-yl)-[4-(trifluoromethyl)phenyl]methylidene]indol-5-ol
CID 155772110
4-(trifluoromethyl)(18F)phenol
CID 71660610
3-(1-fluoroethyl)-1H-indol-6-ol
CID 84656821

Frequently Asked Questions

What is the IUPAC name of 3-[(5-hydroxy-1H-indol-3-yl)-[4-(trifluoromethyl)phenyl]methyl]-1H-indol-5-ol?
The IUPAC name of 3-[(5-hydroxy-1H-indol-3-yl)-[4-(trifluoromethyl)phenyl]methyl]-1H-indol-5-ol (CID 139526498) is 3-[(5-hydroxy-1H-indol-3-yl)-[4-(trifluoromethyl)phenyl]methyl]-1H-indol-5-ol.
What is the SMILES notation for 3-[(5-hydroxy-1H-indol-3-yl)-[4-(trifluoromethyl)phenyl]methyl]-1H-indol-5-ol?
The canonical SMILES for 3-[(5-hydroxy-1H-indol-3-yl)-[4-(trifluoromethyl)phenyl]methyl]-1H-indol-5-ol is Oc1ccc2[nH]cc(C(c3ccc(C(F)(F)F)cc3)c3c[nH]c4ccc(O)cc34)c2c1.
What is the InChIKey of 3-[(5-hydroxy-1H-indol-3-yl)-[4-(trifluoromethyl)phenyl]methyl]-1H-indol-5-ol?
The InChIKey is KTPWXXGSFVVHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F3N2O2/c25-24(26,27)14-3-1-13(2-4-14)23(19-11-28-21-7-5-15(30)9-17(19)21)20-12-29-22-8-6-16(31)10-18(20)22/h1-12,23,28-31H.
What are the key properties of 3-[(5-hydroxy-1H-indol-3-yl)-[4-(trifluoromethyl)phenyl]methyl]-1H-indol-5-ol?
3-[(5-hydroxy-1H-indol-3-yl)-[4-(trifluoromethyl)phenyl]methyl]-1H-indol-5-ol has a molecular weight of 422.41 g/mol, XLogP of 6.26, 3 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-hydroxy-1H-indol-3-yl)-[4-(trifluoromethyl)phenyl]methyl]-1H-indol-5-ol is sourced from PubChem (CID 139526498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).