(3E)-3-[(5-phenylmethoxy-1H-indol-3-yl)methylidene]-1H-indol-2-one

C24H18N2O2 — CID 11164464

IUPAC(3E)-3-[(5-phenylmethoxy-1H-indol-3-yl)methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccccc2/C1=C\c1c[nH]c2ccc(OCc3ccccc3)cc12
InChIInChI=1S/C24H18N2O2/c27-24-21(19-8-4-5-9-23(19)26-24)12-17-14-25-22-11-10-18(13-20(17)22)28-15-16-6-2-1-3-7-16/h1-14,25H,15H2,(H,26,27)/b21-12+
InChIKeyHLYUXWGNIFUKHX-CIAFOILYSA-N
MW366.42 g/mol
LogP5.24
Rot. Bonds4

About (3E)-3-[(5-phenylmethoxy-1H-indol-3-yl)methylidene]-1H-indol-2-one

(3E)-3-[(5-phenylmethoxy-1H-indol-3-yl)methylidene]-1H-indol-2-one (PubChem CID 11164464) has the molecular formula C24H18N2O2 and a molecular weight of 366.42 g/mol. Its IUPAC name is (3E)-3-[(5-phenylmethoxy-1H-indol-3-yl)methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-3-[(5-phenylmethoxy-1H-indol-3-yl)methylidene]-1H-indol-2-one
PubChem CID11164464
Molecular FormulaC24H18N2O2
Molecular Weight366.42 g/mol
Exact Mass366.14
IUPAC Name(3E)-3-[(5-phenylmethoxy-1H-indol-3-yl)methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccccc2/C1=C\c1c[nH]c2ccc(OCc3ccccc3)cc12
InChIInChI=1S/C24H18N2O2/c27-24-21(19-8-4-5-9-23(19)26-24)12-17-14-25-22-11-10-18(13-20(17)22)28-15-16-6-2-1-3-7-16/h1-14,25H,15H2,(H,26,27)/b21-12+
InChIKeyHLYUXWGNIFUKHX-CIAFOILYSA-N
XLogP5.24
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.42
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_L(4)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-[(5-phenylmethoxy-1H-indol-3-yl)methylidene]-1H-indol-2-one
CID 69455728
(3Z)-3-[(5-bromo-1H-indol-3-yl)methylidene]-1H-indol-2-one
CID 2356796
3-[(2-oxo-1H-indol-3-ylidene)methyl]-1H-indole-5-carbonitrile
CID 69351268
3-chloro-4-(5-phenylmethoxy-1H-indol-3-yl)pyrrole-2,5-dione
CID 22308770
(3Z)-3-[(3-methoxy-2-phenylmethoxyphenyl)methylidene]-1H-indol-2-one
CID 1224641
(3E)-3-(1H-pyrrolo[3,2-b]pyridin-3-ylmethylidene)-1H-indol-2-one
CID 67591615
(E)-2-phenyl-3-(5-phenylmethoxy-1H-indol-3-yl)prop-2-enamide
CID 71769665
(3E)-5-hydroxy-3-(1H-indol-3-ylmethylidene)-1H-indol-2-one
CID 69454677
(3E)-3-(1H-indol-3-ylmethylidene)-5-methyl-1H-indol-2-one
CID 112979063
N-methyl-2-(5-phenylmethoxy-1H-indol-3-yl)ethanamine;oxalic acid
CID 25021298
3-[(5-hydroxy-1H-indol-3-yl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one
CID 54039773
(3E)-3-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-1H-indol-2-one
CID 2357044

Frequently Asked Questions

What is the IUPAC name of (3E)-3-[(5-phenylmethoxy-1H-indol-3-yl)methylidene]-1H-indol-2-one?
The IUPAC name of (3E)-3-[(5-phenylmethoxy-1H-indol-3-yl)methylidene]-1H-indol-2-one (CID 11164464) is (3E)-3-[(5-phenylmethoxy-1H-indol-3-yl)methylidene]-1H-indol-2-one.
What is the SMILES notation for (3E)-3-[(5-phenylmethoxy-1H-indol-3-yl)methylidene]-1H-indol-2-one?
The canonical SMILES for (3E)-3-[(5-phenylmethoxy-1H-indol-3-yl)methylidene]-1H-indol-2-one is O=C1Nc2ccccc2/C1=C\c1c[nH]c2ccc(OCc3ccccc3)cc12.
What is the InChIKey of (3E)-3-[(5-phenylmethoxy-1H-indol-3-yl)methylidene]-1H-indol-2-one?
The InChIKey is HLYUXWGNIFUKHX-CIAFOILYSA-N. The full InChI is InChI=1S/C24H18N2O2/c27-24-21(19-8-4-5-9-23(19)26-24)12-17-14-25-22-11-10-18(13-20(17)22)28-15-16-6-2-1-3-7-16/h1-14,25H,15H2,(H,26,27)/b21-12+.
What are the key properties of (3E)-3-[(5-phenylmethoxy-1H-indol-3-yl)methylidene]-1H-indol-2-one?
(3E)-3-[(5-phenylmethoxy-1H-indol-3-yl)methylidene]-1H-indol-2-one has a molecular weight of 366.42 g/mol, XLogP of 5.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(5-phenylmethoxy-1H-indol-3-yl)methylidene]-1H-indol-2-one is sourced from PubChem (CID 11164464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).