3,3-bis(1-methylindol-3-yl)-1H-indol-2-one

C26H21N3O — CID 2949282

IUPAC3,3-bis(1-methylindol-3-yl)-1H-indol-2-one
SMILESCn1cc(C2(c3cn(C)c4ccccc34)C(=O)Nc3ccccc32)c2ccccc21
InChIInChI=1S/C26H21N3O/c1-28-15-20(17-9-3-7-13-23(17)28)26(19-11-5-6-12-22(19)27-25(26)30)21-16-29(2)24-14-8-4-10-18(21)24/h3-16H,1-2H3,(H,27,30)
InChIKeyYVPQVMQWRNTXNZ-UHFFFAOYSA-N
MW391.47 g/mol
LogP4.96
Rot. Bonds2

About 3,3-bis(1-methylindol-3-yl)-1H-indol-2-one

3,3-bis(1-methylindol-3-yl)-1H-indol-2-one (PubChem CID 2949282) has the molecular formula C26H21N3O and a molecular weight of 391.47 g/mol. Its IUPAC name is 3,3-bis(1-methylindol-3-yl)-1H-indol-2-one.

Molecular Properties

Compound Name3,3-bis(1-methylindol-3-yl)-1H-indol-2-one
PubChem CID2949282
Molecular FormulaC26H21N3O
Molecular Weight391.47 g/mol
Exact Mass391.17
IUPAC Name3,3-bis(1-methylindol-3-yl)-1H-indol-2-one
SMILESCn1cc(C2(c3cn(C)c4ccccc34)C(=O)Nc3ccccc32)c2ccccc21
InChIInChI=1S/C26H21N3O/c1-28-15-20(17-9-3-7-13-23(17)28)26(19-11-5-6-12-22(19)27-25(26)30)21-16-29(2)24-14-8-4-10-18(21)24/h3-16H,1-2H3,(H,27,30)
InChIKeyYVPQVMQWRNTXNZ-UHFFFAOYSA-N
XLogP4.96
TPSA38.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,3-bis(1-methylindol-3-yl)-1H-indol-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,3-bis(1-methylindol-3-yl)-1H-indol-2-one?
The IUPAC name of 3,3-bis(1-methylindol-3-yl)-1H-indol-2-one (CID 2949282) is 3,3-bis(1-methylindol-3-yl)-1H-indol-2-one.
What is the SMILES notation for 3,3-bis(1-methylindol-3-yl)-1H-indol-2-one?
The canonical SMILES for 3,3-bis(1-methylindol-3-yl)-1H-indol-2-one is Cn1cc(C2(c3cn(C)c4ccccc34)C(=O)Nc3ccccc32)c2ccccc21.
What is the InChIKey of 3,3-bis(1-methylindol-3-yl)-1H-indol-2-one?
The InChIKey is YVPQVMQWRNTXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3O/c1-28-15-20(17-9-3-7-13-23(17)28)26(19-11-5-6-12-22(19)27-25(26)30)21-16-29(2)24-14-8-4-10-18(21)24/h3-16H,1-2H3,(H,27,30).
What are the key properties of 3,3-bis(1-methylindol-3-yl)-1H-indol-2-one?
3,3-bis(1-methylindol-3-yl)-1H-indol-2-one has a molecular weight of 391.47 g/mol, XLogP of 4.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis(1-methylindol-3-yl)-1H-indol-2-one is sourced from PubChem (CID 2949282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).