2-(1H-indol-3-ylmethyl)-1H-indole

C17H14N2 — CID 10900930

IUPAC2-(1H-indol-3-ylmethyl)-1H-indole
SMILESc1ccc2[nH]c(Cc3c[nH]c4ccccc34)cc2c1
InChIInChI=1S/C17H14N2/c1-3-7-16-12(5-1)9-14(19-16)10-13-11-18-17-8-4-2-6-15(13)17/h1-9,11,18-19H,10H2
InChIKeySHXKYUYEFDONQC-UHFFFAOYSA-N
MW246.31 g/mol
LogP4.24
Rot. Bonds2

About 2-(1H-indol-3-ylmethyl)-1H-indole

2-(1H-indol-3-ylmethyl)-1H-indole (PubChem CID 10900930) has the molecular formula C17H14N2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-(1H-indol-3-ylmethyl)-1H-indole.

Molecular Properties

Compound Name2-(1H-indol-3-ylmethyl)-1H-indole
PubChem CID10900930
Molecular FormulaC17H14N2
Molecular Weight246.31 g/mol
Exact Mass246.12
IUPAC Name2-(1H-indol-3-ylmethyl)-1H-indole
SMILESc1ccc2[nH]c(Cc3c[nH]c4ccccc34)cc2c1
InChIInChI=1S/C17H14N2/c1-3-7-16-12(5-1)9-14(19-16)10-13-11-18-17-8-4-2-6-15(13)17/h1-9,11,18-19H,10H2
InChIKeySHXKYUYEFDONQC-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 2-(1H-indol-3-ylmethyl)-1H-indole?
The IUPAC name of 2-(1H-indol-3-ylmethyl)-1H-indole (CID 10900930) is 2-(1H-indol-3-ylmethyl)-1H-indole.
What is the SMILES notation for 2-(1H-indol-3-ylmethyl)-1H-indole?
The canonical SMILES for 2-(1H-indol-3-ylmethyl)-1H-indole is c1ccc2[nH]c(Cc3c[nH]c4ccccc34)cc2c1.
What is the InChIKey of 2-(1H-indol-3-ylmethyl)-1H-indole?
The InChIKey is SHXKYUYEFDONQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2/c1-3-7-16-12(5-1)9-14(19-16)10-13-11-18-17-8-4-2-6-15(13)17/h1-9,11,18-19H,10H2.
What are the key properties of 2-(1H-indol-3-ylmethyl)-1H-indole?
2-(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 2-(1H-indol-3-ylmethyl)-1H-indole is sourced from PubChem (CID 10900930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).