2-[5-(3-carbazol-9-ylpropoxy)-1H-indol-3-yl]acetic acid

C25H22N2O3 — CID 51038932

IUPAC2-[5-(3-carbazol-9-ylpropoxy)-1H-indol-3-yl]acetic acid
SMILESO=C(O)Cc1c[nH]c2ccc(OCCCn3c4ccccc4c4ccccc43)cc12
InChIInChI=1S/C25H22N2O3/c28-25(29)14-17-16-26-22-11-10-18(15-21(17)22)30-13-5-12-27-23-8-3-1-6-19(23)20-7-2-4-9-24(20)27/h1-4,6-11,15-16,26H,5,12-14H2,(H,28,29)
InChIKeySUMUJPPQCGLXEB-UHFFFAOYSA-N
MW398.46 g/mol
LogP5.37
Rot. Bonds7

About 2-[5-(3-carbazol-9-ylpropoxy)-1H-indol-3-yl]acetic acid

2-[5-(3-carbazol-9-ylpropoxy)-1H-indol-3-yl]acetic acid (PubChem CID 51038932) has the molecular formula C25H22N2O3 and a molecular weight of 398.46 g/mol. Its IUPAC name is 2-[5-(3-carbazol-9-ylpropoxy)-1H-indol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(3-carbazol-9-ylpropoxy)-1H-indol-3-yl]acetic acid
PubChem CID51038932
Molecular FormulaC25H22N2O3
Molecular Weight398.46 g/mol
Exact Mass398.16
IUPAC Name2-[5-(3-carbazol-9-ylpropoxy)-1H-indol-3-yl]acetic acid
SMILESO=C(O)Cc1c[nH]c2ccc(OCCCn3c4ccccc4c4ccccc43)cc12
InChIInChI=1S/C25H22N2O3/c28-25(29)14-17-16-26-22-11-10-18(15-21(17)22)30-13-5-12-27-23-8-3-1-6-19(23)20-7-2-4-9-24(20)27/h1-4,6-11,15-16,26H,5,12-14H2,(H,28,29)
InChIKeySUMUJPPQCGLXEB-UHFFFAOYSA-N
XLogP5.37
TPSA67.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.46
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-carbazol-9-ylpropoxy)-1H-indol-3-yl]acetic acid?
The IUPAC name of 2-[5-(3-carbazol-9-ylpropoxy)-1H-indol-3-yl]acetic acid (CID 51038932) is 2-[5-(3-carbazol-9-ylpropoxy)-1H-indol-3-yl]acetic acid.
What is the SMILES notation for 2-[5-(3-carbazol-9-ylpropoxy)-1H-indol-3-yl]acetic acid?
The canonical SMILES for 2-[5-(3-carbazol-9-ylpropoxy)-1H-indol-3-yl]acetic acid is O=C(O)Cc1c[nH]c2ccc(OCCCn3c4ccccc4c4ccccc43)cc12.
What is the InChIKey of 2-[5-(3-carbazol-9-ylpropoxy)-1H-indol-3-yl]acetic acid?
The InChIKey is SUMUJPPQCGLXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O3/c28-25(29)14-17-16-26-22-11-10-18(15-21(17)22)30-13-5-12-27-23-8-3-1-6-19(23)20-7-2-4-9-24(20)27/h1-4,6-11,15-16,26H,5,12-14H2,(H,28,29).
What are the key properties of 2-[5-(3-carbazol-9-ylpropoxy)-1H-indol-3-yl]acetic acid?
2-[5-(3-carbazol-9-ylpropoxy)-1H-indol-3-yl]acetic acid has a molecular weight of 398.46 g/mol, XLogP of 5.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-carbazol-9-ylpropoxy)-1H-indol-3-yl]acetic acid is sourced from PubChem (CID 51038932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).