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

C24H20N2 — CID 11427675

IUPAC3-[1-(1H-indol-3-yl)-1-phenylethyl]-1H-indole
SMILESCC(c1ccccc1)(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12
InChIInChI=1S/C24H20N2/c1-24(17-9-3-2-4-10-17,20-15-25-22-13-7-5-11-18(20)22)21-16-26-23-14-8-6-12-19(21)23/h2-16,25-26H,1H3
InChIKeyGZCQCNVEPFDKOI-UHFFFAOYSA-N
MW336.44 g/mol
LogP6.00
Rot. Bonds3

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

3-[1-(1H-indol-3-yl)-1-phenylethyl]-1H-indole (PubChem CID 11427675) has the molecular formula C24H20N2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 3-[1-(1H-indol-3-yl)-1-phenylethyl]-1H-indole.

Molecular Properties

Compound Name3-[1-(1H-indol-3-yl)-1-phenylethyl]-1H-indole
PubChem CID11427675
Molecular FormulaC24H20N2
Molecular Weight336.44 g/mol
Exact Mass336.16
IUPAC Name3-[1-(1H-indol-3-yl)-1-phenylethyl]-1H-indole
SMILESCC(c1ccccc1)(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12
InChIInChI=1S/C24H20N2/c1-24(17-9-3-2-4-10-17,20-15-25-22-13-7-5-11-18(20)22)21-16-26-23-14-8-6-12-19(21)23/h2-16,25-26H,1H3
InChIKeyGZCQCNVEPFDKOI-UHFFFAOYSA-N
XLogP6.00
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.44
LogP ≤ 56.00
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)-1-phenylethyl]-1H-indole?
The IUPAC name of 3-[1-(1H-indol-3-yl)-1-phenylethyl]-1H-indole (CID 11427675) is 3-[1-(1H-indol-3-yl)-1-phenylethyl]-1H-indole.
What is the SMILES notation for 3-[1-(1H-indol-3-yl)-1-phenylethyl]-1H-indole?
The canonical SMILES for 3-[1-(1H-indol-3-yl)-1-phenylethyl]-1H-indole is CC(c1ccccc1)(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12.
What is the InChIKey of 3-[1-(1H-indol-3-yl)-1-phenylethyl]-1H-indole?
The InChIKey is GZCQCNVEPFDKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2/c1-24(17-9-3-2-4-10-17,20-15-25-22-13-7-5-11-18(20)22)21-16-26-23-14-8-6-12-19(21)23/h2-16,25-26H,1H3.
What are the key properties of 3-[1-(1H-indol-3-yl)-1-phenylethyl]-1H-indole?
3-[1-(1H-indol-3-yl)-1-phenylethyl]-1H-indole has a molecular weight of 336.44 g/mol, XLogP of 6.00, 3 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)-1-phenylethyl]-1H-indole is sourced from PubChem (CID 11427675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).