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

C26H19N3O — CID 54769278

IUPAC1,2,2-tris(1H-indol-3-yl)ethanone
SMILESO=C(c1c[nH]c2ccccc12)C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12
InChIInChI=1S/C26H19N3O/c30-26(21-15-29-24-12-6-3-9-18(21)24)25(19-13-27-22-10-4-1-7-16(19)22)20-14-28-23-11-5-2-8-17(20)23/h1-15,25,27-29H
InChIKeyVKPHFVAPGSILPE-UHFFFAOYSA-N
MW389.46 g/mol
LogP6.15
Rot. Bonds4

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

1,2,2-tris(1H-indol-3-yl)ethanone (PubChem CID 54769278) has the molecular formula C26H19N3O and a molecular weight of 389.46 g/mol. Its IUPAC name is 1,2,2-tris(1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name1,2,2-tris(1H-indol-3-yl)ethanone
PubChem CID54769278
Molecular FormulaC26H19N3O
Molecular Weight389.46 g/mol
Exact Mass389.15
IUPAC Name1,2,2-tris(1H-indol-3-yl)ethanone
SMILESO=C(c1c[nH]c2ccccc12)C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12
InChIInChI=1S/C26H19N3O/c30-26(21-15-29-24-12-6-3-9-18(21)24)25(19-13-27-22-10-4-1-7-16(19)22)20-14-28-23-11-5-2-8-17(20)23/h1-15,25,27-29H
InChIKeyVKPHFVAPGSILPE-UHFFFAOYSA-N
XLogP6.15
TPSA64.44 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.46
LogP ≤ 56.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2,2-tris(1H-indol-3-yl)ethanone?
The IUPAC name of 1,2,2-tris(1H-indol-3-yl)ethanone (CID 54769278) is 1,2,2-tris(1H-indol-3-yl)ethanone.
What is the SMILES notation for 1,2,2-tris(1H-indol-3-yl)ethanone?
The canonical SMILES for 1,2,2-tris(1H-indol-3-yl)ethanone is O=C(c1c[nH]c2ccccc12)C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12.
What is the InChIKey of 1,2,2-tris(1H-indol-3-yl)ethanone?
The InChIKey is VKPHFVAPGSILPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N3O/c30-26(21-15-29-24-12-6-3-9-18(21)24)25(19-13-27-22-10-4-1-7-16(19)22)20-14-28-23-11-5-2-8-17(20)23/h1-15,25,27-29H.
What are the key properties of 1,2,2-tris(1H-indol-3-yl)ethanone?
1,2,2-tris(1H-indol-3-yl)ethanone has a molecular weight of 389.46 g/mol, XLogP of 6.15, 4 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2-tris(1H-indol-3-yl)ethanone is sourced from PubChem (CID 54769278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).