1-[2-[2,3-bis(1H-indol-2-yl)phenyl]-2,3-dihydroindol-1-yl]ethanone

C32H25N3O — CID 141051025

IUPAC1-[2-[2,3-bis(1H-indol-2-yl)phenyl]-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1c2ccccc2CC1c1cccc(-c2cc3ccccc3[nH]2)c1-c1cc2ccccc2[nH]1
InChIInChI=1S/C32H25N3O/c1-20(36)35-30-16-7-4-11-23(30)19-31(35)25-13-8-12-24(28-17-21-9-2-5-14-26(21)33-28)32(25)29-18-22-10-3-6-15-27(22)34-29/h2-18,31,33-34H,19H2,1H3
InChIKeyPXALVIAZXVKJTR-UHFFFAOYSA-N
MW467.57 g/mol
LogP7.63
Rot. Bonds3

About 1-[2-[2,3-bis(1H-indol-2-yl)phenyl]-2,3-dihydroindol-1-yl]ethanone

1-[2-[2,3-bis(1H-indol-2-yl)phenyl]-2,3-dihydroindol-1-yl]ethanone (PubChem CID 141051025) has the molecular formula C32H25N3O and a molecular weight of 467.57 g/mol. Its IUPAC name is 1-[2-[2,3-bis(1H-indol-2-yl)phenyl]-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-[2,3-bis(1H-indol-2-yl)phenyl]-2,3-dihydroindol-1-yl]ethanone
PubChem CID141051025
Molecular FormulaC32H25N3O
Molecular Weight467.57 g/mol
Exact Mass467.20
IUPAC Name1-[2-[2,3-bis(1H-indol-2-yl)phenyl]-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1c2ccccc2CC1c1cccc(-c2cc3ccccc3[nH]2)c1-c1cc2ccccc2[nH]1
InChIInChI=1S/C32H25N3O/c1-20(36)35-30-16-7-4-11-23(30)19-31(35)25-13-8-12-24(28-17-21-9-2-5-14-26(21)33-28)32(25)29-18-22-10-3-6-15-27(22)34-29/h2-18,31,33-34H,19H2,1H3
InChIKeyPXALVIAZXVKJTR-UHFFFAOYSA-N
XLogP7.63
TPSA51.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.57
LogP ≤ 57.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2,3-bis(1H-indol-2-yl)phenyl]-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 1-[2-[2,3-bis(1H-indol-2-yl)phenyl]-2,3-dihydroindol-1-yl]ethanone (CID 141051025) is 1-[2-[2,3-bis(1H-indol-2-yl)phenyl]-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 1-[2-[2,3-bis(1H-indol-2-yl)phenyl]-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 1-[2-[2,3-bis(1H-indol-2-yl)phenyl]-2,3-dihydroindol-1-yl]ethanone is CC(=O)N1c2ccccc2CC1c1cccc(-c2cc3ccccc3[nH]2)c1-c1cc2ccccc2[nH]1.
What is the InChIKey of 1-[2-[2,3-bis(1H-indol-2-yl)phenyl]-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is PXALVIAZXVKJTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25N3O/c1-20(36)35-30-16-7-4-11-23(30)19-31(35)25-13-8-12-24(28-17-21-9-2-5-14-26(21)33-28)32(25)29-18-22-10-3-6-15-27(22)34-29/h2-18,31,33-34H,19H2,1H3.
What are the key properties of 1-[2-[2,3-bis(1H-indol-2-yl)phenyl]-2,3-dihydroindol-1-yl]ethanone?
1-[2-[2,3-bis(1H-indol-2-yl)phenyl]-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 467.57 g/mol, XLogP of 7.63, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2,3-bis(1H-indol-2-yl)phenyl]-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 141051025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).