3-(5-hydroxy-1H-indol-3-yl)-1H-indole-5-carbaldehyde

C17H12N2O2 — CID 89275643

IUPAC3-(5-hydroxy-1H-indol-3-yl)-1H-indole-5-carbaldehyde
SMILESO=Cc1ccc2[nH]cc(-c3c[nH]c4ccc(O)cc34)c2c1
InChIInChI=1S/C17H12N2O2/c20-9-10-1-3-16-12(5-10)14(7-18-16)15-8-19-17-4-2-11(21)6-13(15)17/h1-9,18-19,21H
InChIKeyCBBOXMNTULRXKC-UHFFFAOYSA-N
MW276.30 g/mol
LogP3.83
Rot. Bonds2

About 3-(5-hydroxy-1H-indol-3-yl)-1H-indole-5-carbaldehyde

3-(5-hydroxy-1H-indol-3-yl)-1H-indole-5-carbaldehyde (PubChem CID 89275643) has the molecular formula C17H12N2O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is 3-(5-hydroxy-1H-indol-3-yl)-1H-indole-5-carbaldehyde.

Molecular Properties

Compound Name3-(5-hydroxy-1H-indol-3-yl)-1H-indole-5-carbaldehyde
PubChem CID89275643
Molecular FormulaC17H12N2O2
Molecular Weight276.30 g/mol
Exact Mass276.09
IUPAC Name3-(5-hydroxy-1H-indol-3-yl)-1H-indole-5-carbaldehyde
SMILESO=Cc1ccc2[nH]cc(-c3c[nH]c4ccc(O)cc34)c2c1
InChIInChI=1S/C17H12N2O2/c20-9-10-1-3-16-12(5-10)14(7-18-16)15-8-19-17-4-2-11(21)6-13(15)17/h1-9,18-19,21H
InChIKeyCBBOXMNTULRXKC-UHFFFAOYSA-N
XLogP3.83
TPSA68.88 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(5-hydroxy-1H-indol-3-yl)-1H-indole-5-carbaldehyde?
The IUPAC name of 3-(5-hydroxy-1H-indol-3-yl)-1H-indole-5-carbaldehyde (CID 89275643) is 3-(5-hydroxy-1H-indol-3-yl)-1H-indole-5-carbaldehyde.
What is the SMILES notation for 3-(5-hydroxy-1H-indol-3-yl)-1H-indole-5-carbaldehyde?
The canonical SMILES for 3-(5-hydroxy-1H-indol-3-yl)-1H-indole-5-carbaldehyde is O=Cc1ccc2[nH]cc(-c3c[nH]c4ccc(O)cc34)c2c1.
What is the InChIKey of 3-(5-hydroxy-1H-indol-3-yl)-1H-indole-5-carbaldehyde?
The InChIKey is CBBOXMNTULRXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O2/c20-9-10-1-3-16-12(5-10)14(7-18-16)15-8-19-17-4-2-11(21)6-13(15)17/h1-9,18-19,21H.
What are the key properties of 3-(5-hydroxy-1H-indol-3-yl)-1H-indole-5-carbaldehyde?
3-(5-hydroxy-1H-indol-3-yl)-1H-indole-5-carbaldehyde has a molecular weight of 276.30 g/mol, XLogP of 3.83, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-hydroxy-1H-indol-3-yl)-1H-indole-5-carbaldehyde is sourced from PubChem (CID 89275643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).