7-naphthalen-2-yl-3-(3-naphthalen-1-yloxypropyl)-1H-indole-2-carboxylic acid

C32H25NO3 — CID 25144754

IUPAC7-naphthalen-2-yl-3-(3-naphthalen-1-yloxypropyl)-1H-indole-2-carboxylic acid
SMILESO=C(O)c1[nH]c2c(-c3ccc4ccccc4c3)cccc2c1CCCOc1cccc2ccccc12
InChIInChI=1S/C32H25NO3/c34-32(35)31-28(15-7-19-36-29-16-5-11-22-9-3-4-12-25(22)29)27-14-6-13-26(30(27)33-31)24-18-17-21-8-1-2-10-23(21)20-24/h1-6,8-14,16-18,20,33H,7,15,19H2,(H,34,35)
InChIKeyZQYWHAZEKXEFAF-UHFFFAOYSA-N
MW471.56 g/mol
LogP7.85
Rot. Bonds7

About 7-naphthalen-2-yl-3-(3-naphthalen-1-yloxypropyl)-1H-indole-2-carboxylic acid

7-naphthalen-2-yl-3-(3-naphthalen-1-yloxypropyl)-1H-indole-2-carboxylic acid (PubChem CID 25144754) has the molecular formula C32H25NO3 and a molecular weight of 471.56 g/mol. Its IUPAC name is 7-naphthalen-2-yl-3-(3-naphthalen-1-yloxypropyl)-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name7-naphthalen-2-yl-3-(3-naphthalen-1-yloxypropyl)-1H-indole-2-carboxylic acid
PubChem CID25144754
Molecular FormulaC32H25NO3
Molecular Weight471.56 g/mol
Exact Mass471.18
IUPAC Name7-naphthalen-2-yl-3-(3-naphthalen-1-yloxypropyl)-1H-indole-2-carboxylic acid
SMILESO=C(O)c1[nH]c2c(-c3ccc4ccccc4c3)cccc2c1CCCOc1cccc2ccccc12
InChIInChI=1S/C32H25NO3/c34-32(35)31-28(15-7-19-36-29-16-5-11-22-9-3-4-12-25(22)29)27-14-6-13-26(30(27)33-31)24-18-17-21-8-1-2-10-23(21)20-24/h1-6,8-14,16-18,20,33H,7,15,19H2,(H,34,35)
InChIKeyZQYWHAZEKXEFAF-UHFFFAOYSA-N
XLogP7.85
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.56
LogP ≤ 57.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-naphthalen-2-yl-3-(3-naphthalen-1-yloxypropyl)-1H-indole-2-carboxylic acid?
The IUPAC name of 7-naphthalen-2-yl-3-(3-naphthalen-1-yloxypropyl)-1H-indole-2-carboxylic acid (CID 25144754) is 7-naphthalen-2-yl-3-(3-naphthalen-1-yloxypropyl)-1H-indole-2-carboxylic acid.
What is the SMILES notation for 7-naphthalen-2-yl-3-(3-naphthalen-1-yloxypropyl)-1H-indole-2-carboxylic acid?
The canonical SMILES for 7-naphthalen-2-yl-3-(3-naphthalen-1-yloxypropyl)-1H-indole-2-carboxylic acid is O=C(O)c1[nH]c2c(-c3ccc4ccccc4c3)cccc2c1CCCOc1cccc2ccccc12.
What is the InChIKey of 7-naphthalen-2-yl-3-(3-naphthalen-1-yloxypropyl)-1H-indole-2-carboxylic acid?
The InChIKey is ZQYWHAZEKXEFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25NO3/c34-32(35)31-28(15-7-19-36-29-16-5-11-22-9-3-4-12-25(22)29)27-14-6-13-26(30(27)33-31)24-18-17-21-8-1-2-10-23(21)20-24/h1-6,8-14,16-18,20,33H,7,15,19H2,(H,34,35).
What are the key properties of 7-naphthalen-2-yl-3-(3-naphthalen-1-yloxypropyl)-1H-indole-2-carboxylic acid?
7-naphthalen-2-yl-3-(3-naphthalen-1-yloxypropyl)-1H-indole-2-carboxylic acid has a molecular weight of 471.56 g/mol, XLogP of 7.85, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-naphthalen-2-yl-3-(3-naphthalen-1-yloxypropyl)-1H-indole-2-carboxylic acid is sourced from PubChem (CID 25144754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).