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

C24H17N3O — CID 10021609

IUPAC2,2-bis(1H-indol-3-yl)-1H-indol-3-one
SMILESO=C1c2ccccc2NC1(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12
InChIInChI=1S/C24H17N3O/c28-23-17-9-3-6-12-22(17)27-24(23,18-13-25-20-10-4-1-7-15(18)20)19-14-26-21-11-5-2-8-16(19)21/h1-14,25-27H
InChIKeyIZKCVKAIVRRHDC-UHFFFAOYSA-N
MW363.42 g/mol
LogP5.20
Rot. Bonds2

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

2,2-bis(1H-indol-3-yl)-1H-indol-3-one (PubChem CID 10021609) has the molecular formula C24H17N3O and a molecular weight of 363.42 g/mol. Its IUPAC name is 2,2-bis(1H-indol-3-yl)-1H-indol-3-one.

Molecular Properties

Compound Name2,2-bis(1H-indol-3-yl)-1H-indol-3-one
PubChem CID10021609
Molecular FormulaC24H17N3O
Molecular Weight363.42 g/mol
Exact Mass363.14
IUPAC Name2,2-bis(1H-indol-3-yl)-1H-indol-3-one
SMILESO=C1c2ccccc2NC1(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12
InChIInChI=1S/C24H17N3O/c28-23-17-9-3-6-12-22(17)27-24(23,18-13-25-20-10-4-1-7-15(18)20)19-14-26-21-11-5-2-8-16(19)21/h1-14,25-27H
InChIKeyIZKCVKAIVRRHDC-UHFFFAOYSA-N
XLogP5.20
TPSA60.68 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.42
LogP ≤ 55.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-bis(1H-indol-3-yl)-1H-indol-3-one?
The IUPAC name of 2,2-bis(1H-indol-3-yl)-1H-indol-3-one (CID 10021609) is 2,2-bis(1H-indol-3-yl)-1H-indol-3-one.
What is the SMILES notation for 2,2-bis(1H-indol-3-yl)-1H-indol-3-one?
The canonical SMILES for 2,2-bis(1H-indol-3-yl)-1H-indol-3-one is O=C1c2ccccc2NC1(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12.
What is the InChIKey of 2,2-bis(1H-indol-3-yl)-1H-indol-3-one?
The InChIKey is IZKCVKAIVRRHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N3O/c28-23-17-9-3-6-12-22(17)27-24(23,18-13-25-20-10-4-1-7-15(18)20)19-14-26-21-11-5-2-8-16(19)21/h1-14,25-27H.
What are the key properties of 2,2-bis(1H-indol-3-yl)-1H-indol-3-one?
2,2-bis(1H-indol-3-yl)-1H-indol-3-one has a molecular weight of 363.42 g/mol, XLogP of 5.20, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(1H-indol-3-yl)-1H-indol-3-one is sourced from PubChem (CID 10021609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).