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

C18H14N2O — CID 10265357

IUPAC2-(1H-indol-3-ylmethyl)-1H-indole-3-carbaldehyde
SMILESO=Cc1c(Cc2c[nH]c3ccccc23)[nH]c2ccccc12
InChIInChI=1S/C18H14N2O/c21-11-15-14-6-2-4-8-17(14)20-18(15)9-12-10-19-16-7-3-1-5-13(12)16/h1-8,10-11,19-20H,9H2
InChIKeyGBEJDLJINBVBFG-UHFFFAOYSA-N
MW274.32 g/mol
LogP4.05
Rot. Bonds3

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

2-(1H-indol-3-ylmethyl)-1H-indole-3-carbaldehyde (PubChem CID 10265357) has the molecular formula C18H14N2O and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-(1H-indol-3-ylmethyl)-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name2-(1H-indol-3-ylmethyl)-1H-indole-3-carbaldehyde
PubChem CID10265357
Molecular FormulaC18H14N2O
Molecular Weight274.32 g/mol
Exact Mass274.11
IUPAC Name2-(1H-indol-3-ylmethyl)-1H-indole-3-carbaldehyde
SMILESO=Cc1c(Cc2c[nH]c3ccccc23)[nH]c2ccccc12
InChIInChI=1S/C18H14N2O/c21-11-15-14-6-2-4-8-17(14)20-18(15)9-12-10-19-16-7-3-1-5-13(12)16/h1-8,10-11,19-20H,9H2
InChIKeyGBEJDLJINBVBFG-UHFFFAOYSA-N
XLogP4.05
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-ylmethyl)-1H-indole-3-carbaldehyde?
The IUPAC name of 2-(1H-indol-3-ylmethyl)-1H-indole-3-carbaldehyde (CID 10265357) is 2-(1H-indol-3-ylmethyl)-1H-indole-3-carbaldehyde.
What is the SMILES notation for 2-(1H-indol-3-ylmethyl)-1H-indole-3-carbaldehyde?
The canonical SMILES for 2-(1H-indol-3-ylmethyl)-1H-indole-3-carbaldehyde is O=Cc1c(Cc2c[nH]c3ccccc23)[nH]c2ccccc12.
What is the InChIKey of 2-(1H-indol-3-ylmethyl)-1H-indole-3-carbaldehyde?
The InChIKey is GBEJDLJINBVBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O/c21-11-15-14-6-2-4-8-17(14)20-18(15)9-12-10-19-16-7-3-1-5-13(12)16/h1-8,10-11,19-20H,9H2.
What are the key properties of 2-(1H-indol-3-ylmethyl)-1H-indole-3-carbaldehyde?
2-(1H-indol-3-ylmethyl)-1H-indole-3-carbaldehyde has a molecular weight of 274.32 g/mol, XLogP of 4.05, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-ylmethyl)-1H-indole-3-carbaldehyde is sourced from PubChem (CID 10265357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).