3,3-bis[4-(diethylamino)phenyl]-1H-indol-2-one

C28H33N3O — CID 7327706

IUPAC3,3-bis[4-(diethylamino)phenyl]-1H-indol-2-one
SMILESCCN(CC)c1ccc(C2(c3ccc(N(CC)CC)cc3)C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C28H33N3O/c1-5-30(6-2)23-17-13-21(14-18-23)28(25-11-9-10-12-26(25)29-27(28)32)22-15-19-24(20-16-22)31(7-3)8-4/h9-20H,5-8H2,1-4H3,(H,29,32)
InChIKeyYBFHMVOHUNYVFP-UHFFFAOYSA-N
MW427.59 g/mol
LogP5.67
Rot. Bonds8

About 3,3-bis[4-(diethylamino)phenyl]-1H-indol-2-one

3,3-bis[4-(diethylamino)phenyl]-1H-indol-2-one (PubChem CID 7327706) has the molecular formula C28H33N3O and a molecular weight of 427.59 g/mol. Its IUPAC name is 3,3-bis[4-(diethylamino)phenyl]-1H-indol-2-one.

Molecular Properties

Compound Name3,3-bis[4-(diethylamino)phenyl]-1H-indol-2-one
PubChem CID7327706
Molecular FormulaC28H33N3O
Molecular Weight427.59 g/mol
Exact Mass427.26
IUPAC Name3,3-bis[4-(diethylamino)phenyl]-1H-indol-2-one
SMILESCCN(CC)c1ccc(C2(c3ccc(N(CC)CC)cc3)C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C28H33N3O/c1-5-30(6-2)23-17-13-21(14-18-23)28(25-11-9-10-12-26(25)29-27(28)32)22-15-19-24(20-16-22)31(7-3)8-4/h9-20H,5-8H2,1-4H3,(H,29,32)
InChIKeyYBFHMVOHUNYVFP-UHFFFAOYSA-N
XLogP5.67
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.59
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3-bis[4-(diethylamino)phenyl]-1H-indol-2-one?
The IUPAC name of 3,3-bis[4-(diethylamino)phenyl]-1H-indol-2-one (CID 7327706) is 3,3-bis[4-(diethylamino)phenyl]-1H-indol-2-one.
What is the SMILES notation for 3,3-bis[4-(diethylamino)phenyl]-1H-indol-2-one?
The canonical SMILES for 3,3-bis[4-(diethylamino)phenyl]-1H-indol-2-one is CCN(CC)c1ccc(C2(c3ccc(N(CC)CC)cc3)C(=O)Nc3ccccc32)cc1.
What is the InChIKey of 3,3-bis[4-(diethylamino)phenyl]-1H-indol-2-one?
The InChIKey is YBFHMVOHUNYVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O/c1-5-30(6-2)23-17-13-21(14-18-23)28(25-11-9-10-12-26(25)29-27(28)32)22-15-19-24(20-16-22)31(7-3)8-4/h9-20H,5-8H2,1-4H3,(H,29,32).
What are the key properties of 3,3-bis[4-(diethylamino)phenyl]-1H-indol-2-one?
3,3-bis[4-(diethylamino)phenyl]-1H-indol-2-one has a molecular weight of 427.59 g/mol, XLogP of 5.67, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis[4-(diethylamino)phenyl]-1H-indol-2-one is sourced from PubChem (CID 7327706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).