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

C24H16BrN3O — CID 11775074

IUPAC5-bromo-3,3-bis(1H-indol-3-yl)-1H-indol-2-one
SMILESO=C1Nc2ccc(Br)cc2C1(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12
InChIInChI=1S/C24H16BrN3O/c25-14-9-10-22-17(11-14)24(23(29)28-22,18-12-26-20-7-3-1-5-15(18)20)19-13-27-21-8-4-2-6-16(19)21/h1-13,26-27H,(H,28,29)
InChIKeyRQXKSMFSEKGQKZ-UHFFFAOYSA-N
MW442.32 g/mol
LogP5.70
Rot. Bonds2

About 5-bromo-3,3-bis(1H-indol-3-yl)-1H-indol-2-one

5-bromo-3,3-bis(1H-indol-3-yl)-1H-indol-2-one (PubChem CID 11775074) has the molecular formula C24H16BrN3O and a molecular weight of 442.32 g/mol. Its IUPAC name is 5-bromo-3,3-bis(1H-indol-3-yl)-1H-indol-2-one.

Molecular Properties

Compound Name5-bromo-3,3-bis(1H-indol-3-yl)-1H-indol-2-one
PubChem CID11775074
Molecular FormulaC24H16BrN3O
Molecular Weight442.32 g/mol
Exact Mass441.05
IUPAC Name5-bromo-3,3-bis(1H-indol-3-yl)-1H-indol-2-one
SMILESO=C1Nc2ccc(Br)cc2C1(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12
InChIInChI=1S/C24H16BrN3O/c25-14-9-10-22-17(11-14)24(23(29)28-22,18-12-26-20-7-3-1-5-15(18)20)19-13-27-21-8-4-2-6-16(19)21/h1-13,26-27H,(H,28,29)
InChIKeyRQXKSMFSEKGQKZ-UHFFFAOYSA-N
XLogP5.70
TPSA60.68 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.32
LogP ≤ 55.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3,3-bis(1H-indol-3-yl)-1H-indol-2-one?
The IUPAC name of 5-bromo-3,3-bis(1H-indol-3-yl)-1H-indol-2-one (CID 11775074) is 5-bromo-3,3-bis(1H-indol-3-yl)-1H-indol-2-one.
What is the SMILES notation for 5-bromo-3,3-bis(1H-indol-3-yl)-1H-indol-2-one?
The canonical SMILES for 5-bromo-3,3-bis(1H-indol-3-yl)-1H-indol-2-one is O=C1Nc2ccc(Br)cc2C1(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12.
What is the InChIKey of 5-bromo-3,3-bis(1H-indol-3-yl)-1H-indol-2-one?
The InChIKey is RQXKSMFSEKGQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16BrN3O/c25-14-9-10-22-17(11-14)24(23(29)28-22,18-12-26-20-7-3-1-5-15(18)20)19-13-27-21-8-4-2-6-16(19)21/h1-13,26-27H,(H,28,29).
What are the key properties of 5-bromo-3,3-bis(1H-indol-3-yl)-1H-indol-2-one?
5-bromo-3,3-bis(1H-indol-3-yl)-1H-indol-2-one has a molecular weight of 442.32 g/mol, XLogP of 5.70, 2 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3,3-bis(1H-indol-3-yl)-1H-indol-2-one is sourced from PubChem (CID 11775074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).