7-(1H-indol-2-yl)-7-(1H-indol-3-yl)heptanoic acid

C23H24N2O2 — CID 66993431

IUPAC7-(1H-indol-2-yl)-7-(1H-indol-3-yl)heptanoic acid
SMILESO=C(O)CCCCCC(c1cc2ccccc2[nH]1)c1c[nH]c2ccccc12
InChIInChI=1S/C23H24N2O2/c26-23(27)13-3-1-2-9-18(19-15-24-21-12-7-5-10-17(19)21)22-14-16-8-4-6-11-20(16)25-22/h4-8,10-12,14-15,18,24-25H,1-3,9,13H2,(H,26,27)
InChIKeyFMKKJQYWAXIDFY-UHFFFAOYSA-N
MW360.46 g/mol
LogP5.82
Rot. Bonds8

About 7-(1H-indol-2-yl)-7-(1H-indol-3-yl)heptanoic acid

7-(1H-indol-2-yl)-7-(1H-indol-3-yl)heptanoic acid (PubChem CID 66993431) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 7-(1H-indol-2-yl)-7-(1H-indol-3-yl)heptanoic acid.

Molecular Properties

Compound Name7-(1H-indol-2-yl)-7-(1H-indol-3-yl)heptanoic acid
PubChem CID66993431
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC Name7-(1H-indol-2-yl)-7-(1H-indol-3-yl)heptanoic acid
SMILESO=C(O)CCCCCC(c1cc2ccccc2[nH]1)c1c[nH]c2ccccc12
InChIInChI=1S/C23H24N2O2/c26-23(27)13-3-1-2-9-18(19-15-24-21-12-7-5-10-17(19)21)22-14-16-8-4-6-11-20(16)25-22/h4-8,10-12,14-15,18,24-25H,1-3,9,13H2,(H,26,27)
InChIKeyFMKKJQYWAXIDFY-UHFFFAOYSA-N
XLogP5.82
TPSA68.88 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.46
LogP ≤ 55.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 7-(1H-indol-2-yl)-7-(1H-indol-3-yl)heptanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8,8-bis(1H-indol-3-yl)octanoic acid
CID 66986806
4-amino-4-(1H-indol-3-yl)butanoic acid
CID 82614837
2-[1H-indol-3-yl-(4-phenylphenyl)methyl]-1H-indole
CID 86045351
8-(1H-indol-2-yl)octanoic acid
CID 54343320
1H-indol-3-ol;octadecanoic acid
CID 22916327
[(2R)-2-hydroxy-2-phenylethyl]-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]azanium
CID 2102096
[(2S)-2-hydroxy-2-phenylethyl]-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]azanium
CID 2102100
(1S)-1-(1H-indol-3-yl)pentane-1,5-diamine
CID 171217468
(3S)-3-(1H-indol-2-yl)butanoic acid
CID 96762182
2-(1H-indol-3-yl)butanedioic acid
CID 588708
disodium;hydride;4-(1H-indol-3-yl)butanoic acid
CID 174726095
2-(1H-indol-3-yl)-8-[(2-methylpropan-2-yl)oxy]-8-oxooctanoic acid
CID 152857532

Frequently Asked Questions

What is the IUPAC name of 7-(1H-indol-2-yl)-7-(1H-indol-3-yl)heptanoic acid?
The IUPAC name of 7-(1H-indol-2-yl)-7-(1H-indol-3-yl)heptanoic acid (CID 66993431) is 7-(1H-indol-2-yl)-7-(1H-indol-3-yl)heptanoic acid.
What is the SMILES notation for 7-(1H-indol-2-yl)-7-(1H-indol-3-yl)heptanoic acid?
The canonical SMILES for 7-(1H-indol-2-yl)-7-(1H-indol-3-yl)heptanoic acid is O=C(O)CCCCCC(c1cc2ccccc2[nH]1)c1c[nH]c2ccccc12.
What is the InChIKey of 7-(1H-indol-2-yl)-7-(1H-indol-3-yl)heptanoic acid?
The InChIKey is FMKKJQYWAXIDFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2/c26-23(27)13-3-1-2-9-18(19-15-24-21-12-7-5-10-17(19)21)22-14-16-8-4-6-11-20(16)25-22/h4-8,10-12,14-15,18,24-25H,1-3,9,13H2,(H,26,27).
What are the key properties of 7-(1H-indol-2-yl)-7-(1H-indol-3-yl)heptanoic acid?
7-(1H-indol-2-yl)-7-(1H-indol-3-yl)heptanoic acid has a molecular weight of 360.46 g/mol, XLogP of 5.82, 8 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1H-indol-2-yl)-7-(1H-indol-3-yl)heptanoic acid is sourced from PubChem (CID 66993431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).