3-[4-[[4-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]methyl]phenyl]imino-1H-indol-2-one

C29H20N4O2 — CID 135448429

IUPAC3-[4-[[4-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]methyl]phenyl]imino-1H-indol-2-one
SMILESO=C1Nc2ccccc2/C1=N/c1ccc(Cc2ccc(/N=C3\C(=O)Nc4ccccc43)cc2)cc1
InChIInChI=1S/C29H20N4O2/c34-28-26(22-5-1-3-7-24(22)32-28)30-20-13-9-18(10-14-20)17-19-11-15-21(16-12-19)31-27-23-6-2-4-8-25(23)33-29(27)35/h1-16H,17H2,(H,30,32,34)(H,31,33,35)
InChIKeyORDQRCSDFGGQRM-UHFFFAOYSA-N
MW456.51 g/mol
LogP5.42
Rot. Bonds4

About 3-[4-[[4-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]methyl]phenyl]imino-1H-indol-2-one

3-[4-[[4-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]methyl]phenyl]imino-1H-indol-2-one (PubChem CID 135448429) has the molecular formula C29H20N4O2 and a molecular weight of 456.51 g/mol. Its IUPAC name is 3-[4-[[4-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]methyl]phenyl]imino-1H-indol-2-one.

Molecular Properties

Compound Name3-[4-[[4-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]methyl]phenyl]imino-1H-indol-2-one
PubChem CID135448429
Molecular FormulaC29H20N4O2
Molecular Weight456.51 g/mol
Exact Mass456.16
IUPAC Name3-[4-[[4-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]methyl]phenyl]imino-1H-indol-2-one
SMILESO=C1Nc2ccccc2/C1=N/c1ccc(Cc2ccc(/N=C3\C(=O)Nc4ccccc43)cc2)cc1
InChIInChI=1S/C29H20N4O2/c34-28-26(22-5-1-3-7-24(22)32-28)30-20-13-9-18(10-14-20)17-19-11-15-21(16-12-19)31-27-23-6-2-4-8-25(23)33-29(27)35/h1-16H,17H2,(H,30,32,34)(H,31,33,35)
InChIKeyORDQRCSDFGGQRM-UHFFFAOYSA-N
XLogP5.42
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.51
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 3-[4-[[4-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]methyl]phenyl]imino-1H-indol-2-one with MolForge

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Related Compounds

3-((3,4-Dimethylphenyl)imino)-1,3-dihydro-2H-indol-2-one
CID 135406017
3-(4-Methylanilino)indol-2-one
CID 135412515
2-Indolinone, 3-(phenylimino)-
CID 135442567
3-(diphenylhydrazinylidene)-1,3-dihydro-2H-indol-2-one
CID 135439090
3,3-bis(4-aminophenyl)-1H-indol-2-one
CID 2894099
3-(Biphenyl-2-ylamino)-2h-indol-2-one
CID 135478723
7-Methyl-3-p-tolylimino-1,3-dihydro-indol-2-one
CID 135495650
(3Z)-3-[(2,4,6-trimethylphenyl)imino]-1,3-dihydro-2H-indol-2-one
CID 135406219
3-(4-Fluoroanilino)indol-2-one
CID 135478724
N-[4-[3-(4-acetamidophenyl)-2-oxo-1H-indol-3-yl]phenyl]acetamide
CID 2893820
(3E)-3-[(2,4-Dimethylphenyl)imino]-1,3-dihydro-2H-indol-2-one
CID 135502033
1H-Indol-2-one, 2,3-dihydro-3-(2,6-dimethylphenylimino)-
CID 135519798

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[4-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]methyl]phenyl]imino-1H-indol-2-one?
The IUPAC name of 3-[4-[[4-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]methyl]phenyl]imino-1H-indol-2-one (CID 135448429) is 3-[4-[[4-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]methyl]phenyl]imino-1H-indol-2-one.
What is the SMILES notation for 3-[4-[[4-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]methyl]phenyl]imino-1H-indol-2-one?
The canonical SMILES for 3-[4-[[4-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]methyl]phenyl]imino-1H-indol-2-one is O=C1Nc2ccccc2/C1=N/c1ccc(Cc2ccc(/N=C3\C(=O)Nc4ccccc43)cc2)cc1.
What is the InChIKey of 3-[4-[[4-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]methyl]phenyl]imino-1H-indol-2-one?
The InChIKey is ORDQRCSDFGGQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20N4O2/c34-28-26(22-5-1-3-7-24(22)32-28)30-20-13-9-18(10-14-20)17-19-11-15-21(16-12-19)31-27-23-6-2-4-8-25(23)33-29(27)35/h1-16H,17H2,(H,30,32,34)(H,31,33,35).
What are the key properties of 3-[4-[[4-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]methyl]phenyl]imino-1H-indol-2-one?
3-[4-[[4-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]methyl]phenyl]imino-1H-indol-2-one has a molecular weight of 456.51 g/mol, XLogP of 5.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[4-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]methyl]phenyl]imino-1H-indol-2-one is sourced from PubChem (CID 135448429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).