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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Related Compounds

[4-[2-oxo-3-(4-propanoyloxyphenyl)-1H-indol-3-yl]phenyl] propanoate
CID 170900337
3-(4-hydroxyphenyl)-3-(4-sulfanyloxyphenyl)-1H-indol-2-one
CID 57254489
3-(4-hydroxy-3-methylphenyl)-3-phenyl-1H-indol-2-one
CID 11558717
3,3-bis(4-hydroxyphenyl)-1H-indol-2-one;2,4,6-trichloro-1,3,5-triazine
CID 88715344
5-[4-(diethylamino)phenyl]-5-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 146558296
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine
CID 14438301
3,3-dimethyl-1H-indol-2-one;ethanol
CID 158151574
3-[4-(diethylamino)phenyl]-4-phenylcyclobut-3-ene-1,2-dione
CID 134977150
N,N-diethylaniline
CID 7061
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine;hydrochloride
CID 70262837
1-[4-(diethylamino)phenyl]cyclopentane-1-carboxylic acid
CID 117408044
3,3-bis(2-hydroxy-3-methylphenyl)-1H-indol-2-one
CID 54065813

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).