1-[4-(3-formylindol-1-yl)butyl]indole-3-carbaldehyde

C22H20N2O2 — CID 2194246

IUPAC1-[4-(3-formylindol-1-yl)butyl]indole-3-carbaldehyde
SMILESO=Cc1cn(CCCCn2cc(C=O)c3ccccc32)c2ccccc12
InChIInChI=1S/C22H20N2O2/c25-15-17-13-23(21-9-3-1-7-19(17)21)11-5-6-12-24-14-18(16-26)20-8-2-4-10-22(20)24/h1-4,7-10,13-16H,5-6,11-12H2
InChIKeyXFEHFUQYNZVPII-UHFFFAOYSA-N
MW344.41 g/mol
LogP4.70
Rot. Bonds7

About 1-[4-(3-formylindol-1-yl)butyl]indole-3-carbaldehyde

1-[4-(3-formylindol-1-yl)butyl]indole-3-carbaldehyde (PubChem CID 2194246) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is 1-[4-(3-formylindol-1-yl)butyl]indole-3-carbaldehyde.

Molecular Properties

Compound Name1-[4-(3-formylindol-1-yl)butyl]indole-3-carbaldehyde
PubChem CID2194246
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC Name1-[4-(3-formylindol-1-yl)butyl]indole-3-carbaldehyde
SMILESO=Cc1cn(CCCCn2cc(C=O)c3ccccc32)c2ccccc12
InChIInChI=1S/C22H20N2O2/c25-15-17-13-23(21-9-3-1-7-19(17)21)11-5-6-12-24-14-18(16-26)20-8-2-4-10-22(20)24/h1-4,7-10,13-16H,5-6,11-12H2
InChIKeyXFEHFUQYNZVPII-UHFFFAOYSA-N
XLogP4.70
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-formylindol-1-yl)butyl]indole-3-carbaldehyde?
The IUPAC name of 1-[4-(3-formylindol-1-yl)butyl]indole-3-carbaldehyde (CID 2194246) is 1-[4-(3-formylindol-1-yl)butyl]indole-3-carbaldehyde.
What is the SMILES notation for 1-[4-(3-formylindol-1-yl)butyl]indole-3-carbaldehyde?
The canonical SMILES for 1-[4-(3-formylindol-1-yl)butyl]indole-3-carbaldehyde is O=Cc1cn(CCCCn2cc(C=O)c3ccccc32)c2ccccc12.
What is the InChIKey of 1-[4-(3-formylindol-1-yl)butyl]indole-3-carbaldehyde?
The InChIKey is XFEHFUQYNZVPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2/c25-15-17-13-23(21-9-3-1-7-19(17)21)11-5-6-12-24-14-18(16-26)20-8-2-4-10-22(20)24/h1-4,7-10,13-16H,5-6,11-12H2.
What are the key properties of 1-[4-(3-formylindol-1-yl)butyl]indole-3-carbaldehyde?
1-[4-(3-formylindol-1-yl)butyl]indole-3-carbaldehyde has a molecular weight of 344.41 g/mol, XLogP of 4.70, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-formylindol-1-yl)butyl]indole-3-carbaldehyde is sourced from PubChem (CID 2194246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).