2,2,2-tris(1H-indol-3-yl)ethanol

C26H21N3O — CID 146232723

IUPAC2,2,2-tris(1H-indol-3-yl)ethanol
SMILESOCC(c1c[nH]c2ccccc12)(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12
InChIInChI=1S/C26H21N3O/c30-16-26(20-13-27-23-10-4-1-7-17(20)23,21-14-28-24-11-5-2-8-18(21)24)22-15-29-25-12-6-3-9-19(22)25/h1-15,27-30H,16H2
InChIKeyVLTVFTYUZFOGQE-UHFFFAOYSA-N
MW391.47 g/mol
LogP5.46
Rot. Bonds4

About 2,2,2-tris(1H-indol-3-yl)ethanol

2,2,2-tris(1H-indol-3-yl)ethanol (PubChem CID 146232723) has the molecular formula C26H21N3O and a molecular weight of 391.47 g/mol. Its IUPAC name is 2,2,2-tris(1H-indol-3-yl)ethanol.

Molecular Properties

Compound Name2,2,2-tris(1H-indol-3-yl)ethanol
PubChem CID146232723
Molecular FormulaC26H21N3O
Molecular Weight391.47 g/mol
Exact Mass391.17
IUPAC Name2,2,2-tris(1H-indol-3-yl)ethanol
SMILESOCC(c1c[nH]c2ccccc12)(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12
InChIInChI=1S/C26H21N3O/c30-16-26(20-13-27-23-10-4-1-7-17(20)23,21-14-28-24-11-5-2-8-18(21)24)22-15-29-25-12-6-3-9-19(22)25/h1-15,27-30H,16H2
InChIKeyVLTVFTYUZFOGQE-UHFFFAOYSA-N
XLogP5.46
TPSA67.60 Ų
H-Bond Donors4
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.47
LogP ≤ 55.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 101

Analyze 2,2,2-tris(1H-indol-3-yl)ethanol 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

2,2-difluoro-2-(1H-indol-3-yl)ethanol
CID 116841147
3-[1,1-bis(1H-indol-3-yl)butyl]-1H-indole
CID 20847832
3-(1,1-difluoropropyl)-1H-indole
CID 116841267
2-(1H-indol-3-yl)propan-2-amine
CID 18668060
dimethyl 2-ethyl-2-(1H-indol-3-yl)propanedioate
CID 12548172
(2S)-3-amino-1,1,1-trifluoro-2-(1H-indol-3-yl)propan-2-ol
CID 51922084
2-(1H-indol-3-yl)-2-methylpropanedioic acid
CID 70075508
2-fluoro-2-(1H-indol-3-yl)propan-1-amine
CID 83853895
N-[2-(1H-indol-3-yl)-2-methylpropyl]propanamide
CID 113084044
2-ethyl-2-(1H-indol-3-yl)-3-methylbutanamide
CID 175366507
(2S)-3-ethyl-3-(1H-indol-3-yl)-2-(methylamino)pentanoic acid
CID 175898177
2-amino-3-[[2-(1H-indol-3-yl)-2-methylpropyl]amino]propan-1-ol
CID 115121040

Frequently Asked Questions

What is the IUPAC name of 2,2,2-tris(1H-indol-3-yl)ethanol?
The IUPAC name of 2,2,2-tris(1H-indol-3-yl)ethanol (CID 146232723) is 2,2,2-tris(1H-indol-3-yl)ethanol.
What is the SMILES notation for 2,2,2-tris(1H-indol-3-yl)ethanol?
The canonical SMILES for 2,2,2-tris(1H-indol-3-yl)ethanol is OCC(c1c[nH]c2ccccc12)(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12.
What is the InChIKey of 2,2,2-tris(1H-indol-3-yl)ethanol?
The InChIKey is VLTVFTYUZFOGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3O/c30-16-26(20-13-27-23-10-4-1-7-17(20)23,21-14-28-24-11-5-2-8-18(21)24)22-15-29-25-12-6-3-9-19(22)25/h1-15,27-30H,16H2.
What are the key properties of 2,2,2-tris(1H-indol-3-yl)ethanol?
2,2,2-tris(1H-indol-3-yl)ethanol has a molecular weight of 391.47 g/mol, XLogP of 5.46, 4 rotatable bonds, 4 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-tris(1H-indol-3-yl)ethanol is sourced from PubChem (CID 146232723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).