3-(1H-indol-3-ylmethyl)-1H-indole

C17H14N2 — CID 3071

IUPAC3-(1H-indol-3-ylmethyl)-1H-indole
SMILESc1ccc2c(Cc3c[nH]c4ccccc34)c[nH]c2c1
InChIInChI=1S/C17H14N2/c1-3-7-16-14(5-1)12(10-18-16)9-13-11-19-17-8-4-2-6-15(13)17/h1-8,10-11,18-19H,9H2
InChIKeyVFTRKSBEFQDZKX-UHFFFAOYSA-N
MW246.31 g/mol
LogP4.24
Rot. Bonds2

About 3-(1H-indol-3-ylmethyl)-1H-indole

3-(1H-indol-3-ylmethyl)-1H-indole (PubChem CID 3071) has the molecular formula C17H14N2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 3-(1H-indol-3-ylmethyl)-1H-indole.

Molecular Properties

Compound Name3-(1H-indol-3-ylmethyl)-1H-indole
PubChem CID3071
Molecular FormulaC17H14N2
Molecular Weight246.31 g/mol
Exact Mass246.12
IUPAC Name3-(1H-indol-3-ylmethyl)-1H-indole
SMILESc1ccc2c(Cc3c[nH]c4ccccc34)c[nH]c2c1
InChIInChI=1S/C17H14N2/c1-3-7-16-14(5-1)12(10-18-16)9-13-11-19-17-8-4-2-6-15(13)17/h1-8,10-11,18-19H,9H2
InChIKeyVFTRKSBEFQDZKX-UHFFFAOYSA-N
XLogP4.24
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-ylmethyl)-1H-indole?
The IUPAC name of 3-(1H-indol-3-ylmethyl)-1H-indole (CID 3071) is 3-(1H-indol-3-ylmethyl)-1H-indole.
What is the SMILES notation for 3-(1H-indol-3-ylmethyl)-1H-indole?
The canonical SMILES for 3-(1H-indol-3-ylmethyl)-1H-indole is c1ccc2c(Cc3c[nH]c4ccccc34)c[nH]c2c1.
What is the InChIKey of 3-(1H-indol-3-ylmethyl)-1H-indole?
The InChIKey is VFTRKSBEFQDZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2/c1-3-7-16-14(5-1)12(10-18-16)9-13-11-19-17-8-4-2-6-15(13)17/h1-8,10-11,18-19H,9H2.
What are the key properties of 3-(1H-indol-3-ylmethyl)-1H-indole?
3-(1H-indol-3-ylmethyl)-1H-indole has a molecular weight of 246.31 g/mol, XLogP of 4.24, 2 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-ylmethyl)-1H-indole is sourced from PubChem (CID 3071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).