3-[1-(1H-indol-3-yl)ethyl]-1H-indole

C18H16N2 — CID 6452189

IUPAC3-[1-(1H-indol-3-yl)ethyl]-1H-indole
SMILESCC(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12
InChIInChI=1S/C18H16N2/c1-12(15-10-19-17-8-4-2-6-13(15)17)16-11-20-18-9-5-3-7-14(16)18/h2-12,19-20H,1H3
InChIKeyWOJBBIJJRKFKOJ-UHFFFAOYSA-N
MW260.34 g/mol
LogP4.80
Rot. Bonds2

About 3-[1-(1H-indol-3-yl)ethyl]-1H-indole

3-[1-(1H-indol-3-yl)ethyl]-1H-indole (PubChem CID 6452189) has the molecular formula C18H16N2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-[1-(1H-indol-3-yl)ethyl]-1H-indole.

Molecular Properties

Compound Name3-[1-(1H-indol-3-yl)ethyl]-1H-indole
PubChem CID6452189
Molecular FormulaC18H16N2
Molecular Weight260.34 g/mol
Exact Mass260.13
IUPAC Name3-[1-(1H-indol-3-yl)ethyl]-1H-indole
SMILESCC(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12
InChIInChI=1S/C18H16N2/c1-12(15-10-19-17-8-4-2-6-13(15)17)16-11-20-18-9-5-3-7-14(16)18/h2-12,19-20H,1H3
InChIKeyWOJBBIJJRKFKOJ-UHFFFAOYSA-N
XLogP4.80
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(1H-indol-3-yl)ethyl]-1H-indole?
The IUPAC name of 3-[1-(1H-indol-3-yl)ethyl]-1H-indole (CID 6452189) is 3-[1-(1H-indol-3-yl)ethyl]-1H-indole.
What is the SMILES notation for 3-[1-(1H-indol-3-yl)ethyl]-1H-indole?
The canonical SMILES for 3-[1-(1H-indol-3-yl)ethyl]-1H-indole is CC(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12.
What is the InChIKey of 3-[1-(1H-indol-3-yl)ethyl]-1H-indole?
The InChIKey is WOJBBIJJRKFKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2/c1-12(15-10-19-17-8-4-2-6-13(15)17)16-11-20-18-9-5-3-7-14(16)18/h2-12,19-20H,1H3.
What are the key properties of 3-[1-(1H-indol-3-yl)ethyl]-1H-indole?
3-[1-(1H-indol-3-yl)ethyl]-1H-indole has a molecular weight of 260.34 g/mol, XLogP of 4.80, 2 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1H-indol-3-yl)ethyl]-1H-indole is sourced from PubChem (CID 6452189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).