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

C34H24N4O — CID 139591209

IUPAC1,2,2,2-tetrakis(1H-indol-3-yl)ethanone
SMILESO=C(c1c[nH]c2ccccc12)C(c1c[nH]c2ccccc12)(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12
InChIInChI=1S/C34H24N4O/c39-33(25-17-35-29-13-5-1-9-21(25)29)34(26-18-36-30-14-6-2-10-22(26)30,27-19-37-31-15-7-3-11-23(27)31)28-20-38-32-16-8-4-12-24(28)32/h1-20,35-38H
InChIKeyFLGADMUFJYPECJ-UHFFFAOYSA-N
MW504.59 g/mol
LogP7.83
Rot. Bonds5

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

1,2,2,2-tetrakis(1H-indol-3-yl)ethanone (PubChem CID 139591209) has the molecular formula C34H24N4O and a molecular weight of 504.59 g/mol. Its IUPAC name is 1,2,2,2-tetrakis(1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name1,2,2,2-tetrakis(1H-indol-3-yl)ethanone
PubChem CID139591209
Molecular FormulaC34H24N4O
Molecular Weight504.59 g/mol
Exact Mass504.20
IUPAC Name1,2,2,2-tetrakis(1H-indol-3-yl)ethanone
SMILESO=C(c1c[nH]c2ccccc12)C(c1c[nH]c2ccccc12)(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12
InChIInChI=1S/C34H24N4O/c39-33(25-17-35-29-13-5-1-9-21(25)29)34(26-18-36-30-14-6-2-10-22(26)30,27-19-37-31-15-7-3-11-23(27)31)28-20-38-32-16-8-4-12-24(28)32/h1-20,35-38H
InChIKeyFLGADMUFJYPECJ-UHFFFAOYSA-N
XLogP7.83
TPSA80.23 Ų
H-Bond Donors4
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.59
LogP ≤ 57.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2,2,2-tetrakis(1H-indol-3-yl)ethanone?
The IUPAC name of 1,2,2,2-tetrakis(1H-indol-3-yl)ethanone (CID 139591209) is 1,2,2,2-tetrakis(1H-indol-3-yl)ethanone.
What is the SMILES notation for 1,2,2,2-tetrakis(1H-indol-3-yl)ethanone?
The canonical SMILES for 1,2,2,2-tetrakis(1H-indol-3-yl)ethanone is O=C(c1c[nH]c2ccccc12)C(c1c[nH]c2ccccc12)(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12.
What is the InChIKey of 1,2,2,2-tetrakis(1H-indol-3-yl)ethanone?
The InChIKey is FLGADMUFJYPECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H24N4O/c39-33(25-17-35-29-13-5-1-9-21(25)29)34(26-18-36-30-14-6-2-10-22(26)30,27-19-37-31-15-7-3-11-23(27)31)28-20-38-32-16-8-4-12-24(28)32/h1-20,35-38H.
What are the key properties of 1,2,2,2-tetrakis(1H-indol-3-yl)ethanone?
1,2,2,2-tetrakis(1H-indol-3-yl)ethanone has a molecular weight of 504.59 g/mol, XLogP of 7.83, 5 rotatable bonds, 4 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,2-tetrakis(1H-indol-3-yl)ethanone is sourced from PubChem (CID 139591209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).