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

C24H17N3O — CID 2883607

IUPAC3,3-bis(1H-indol-3-yl)-1H-indol-2-one
SMILESO=C1Nc2ccccc2C1(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12
InChIInChI=1S/C24H17N3O/c28-23-24(17-9-3-6-12-22(17)27-23,18-13-25-20-10-4-1-7-15(18)20)19-14-26-21-11-5-2-8-16(19)21/h1-14,25-26H,(H,27,28)
InChIKeyBSOAGODEMKWJIG-UHFFFAOYSA-N
MW363.42 g/mol
LogP4.94
Rot. Bonds2

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

3,3-bis(1H-indol-3-yl)-1H-indol-2-one (PubChem CID 2883607) has the molecular formula C24H17N3O and a molecular weight of 363.42 g/mol. Its IUPAC name is 3,3-bis(1H-indol-3-yl)-1H-indol-2-one.

Molecular Properties

Compound Name3,3-bis(1H-indol-3-yl)-1H-indol-2-one
PubChem CID2883607
Molecular FormulaC24H17N3O
Molecular Weight363.42 g/mol
Exact Mass363.14
IUPAC Name3,3-bis(1H-indol-3-yl)-1H-indol-2-one
SMILESO=C1Nc2ccccc2C1(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12
InChIInChI=1S/C24H17N3O/c28-23-24(17-9-3-6-12-22(17)27-23,18-13-25-20-10-4-1-7-15(18)20)19-14-26-21-11-5-2-8-16(19)21/h1-14,25-26H,(H,27,28)
InChIKeyBSOAGODEMKWJIG-UHFFFAOYSA-N
XLogP4.94
TPSA60.68 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 54.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-bis(1H-indol-3-yl)-1H-indol-2-one?
The IUPAC name of 3,3-bis(1H-indol-3-yl)-1H-indol-2-one (CID 2883607) is 3,3-bis(1H-indol-3-yl)-1H-indol-2-one.
What is the SMILES notation for 3,3-bis(1H-indol-3-yl)-1H-indol-2-one?
The canonical SMILES for 3,3-bis(1H-indol-3-yl)-1H-indol-2-one is O=C1Nc2ccccc2C1(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12.
What is the InChIKey of 3,3-bis(1H-indol-3-yl)-1H-indol-2-one?
The InChIKey is BSOAGODEMKWJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N3O/c28-23-24(17-9-3-6-12-22(17)27-23,18-13-25-20-10-4-1-7-15(18)20)19-14-26-21-11-5-2-8-16(19)21/h1-14,25-26H,(H,27,28).
What are the key properties of 3,3-bis(1H-indol-3-yl)-1H-indol-2-one?
3,3-bis(1H-indol-3-yl)-1H-indol-2-one has a molecular weight of 363.42 g/mol, XLogP of 4.94, 2 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis(1H-indol-3-yl)-1H-indol-2-one is sourced from PubChem (CID 2883607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).