(3E)-5-methoxy-3-[[2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]methylidene]-1H-indol-2-one

C28H27NO6 — CID 127031469

IUPAC(3E)-5-methoxy-3-[[2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]methylidene]-1H-indol-2-one
SMILESC=C(c1ccc(OC)c(/C=C2/C(=O)Nc3ccc(OC)cc32)c1)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C28H27NO6/c1-16(18-13-25(33-4)27(35-6)26(14-18)34-5)17-7-10-24(32-3)19(11-17)12-22-21-15-20(31-2)8-9-23(21)29-28(22)30/h7-15H,1H2,2-6H3,(H,29,30)/b22-12+
InChIKeyFUUCCOXVGSUBFC-WSDLNYQXSA-N
MW473.53 g/mol
LogP5.28
Rot. Bonds8

About (3E)-5-methoxy-3-[[2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]methylidene]-1H-indol-2-one

(3E)-5-methoxy-3-[[2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]methylidene]-1H-indol-2-one (PubChem CID 127031469) has the molecular formula C28H27NO6 and a molecular weight of 473.53 g/mol. Its IUPAC name is (3E)-5-methoxy-3-[[2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-5-methoxy-3-[[2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]methylidene]-1H-indol-2-one
PubChem CID127031469
Molecular FormulaC28H27NO6
Molecular Weight473.53 g/mol
Exact Mass473.18
IUPAC Name(3E)-5-methoxy-3-[[2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]methylidene]-1H-indol-2-one
SMILESC=C(c1ccc(OC)c(/C=C2/C(=O)Nc3ccc(OC)cc32)c1)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C28H27NO6/c1-16(18-13-25(33-4)27(35-6)26(14-18)34-5)17-7-10-24(32-3)19(11-17)12-22-21-15-20(31-2)8-9-23(21)29-28(22)30/h7-15H,1H2,2-6H3,(H,29,30)/b22-12+
InChIKeyFUUCCOXVGSUBFC-WSDLNYQXSA-N
XLogP5.28
TPSA75.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.53
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E)-5-methoxy-3-[[2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]methylidene]-1H-indol-2-one?
The IUPAC name of (3E)-5-methoxy-3-[[2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]methylidene]-1H-indol-2-one (CID 127031469) is (3E)-5-methoxy-3-[[2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]methylidene]-1H-indol-2-one.
What is the SMILES notation for (3E)-5-methoxy-3-[[2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]methylidene]-1H-indol-2-one?
The canonical SMILES for (3E)-5-methoxy-3-[[2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]methylidene]-1H-indol-2-one is C=C(c1ccc(OC)c(/C=C2/C(=O)Nc3ccc(OC)cc32)c1)c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of (3E)-5-methoxy-3-[[2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]methylidene]-1H-indol-2-one?
The InChIKey is FUUCCOXVGSUBFC-WSDLNYQXSA-N. The full InChI is InChI=1S/C28H27NO6/c1-16(18-13-25(33-4)27(35-6)26(14-18)34-5)17-7-10-24(32-3)19(11-17)12-22-21-15-20(31-2)8-9-23(21)29-28(22)30/h7-15H,1H2,2-6H3,(H,29,30)/b22-12+.
What are the key properties of (3E)-5-methoxy-3-[[2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]methylidene]-1H-indol-2-one?
(3E)-5-methoxy-3-[[2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]methylidene]-1H-indol-2-one has a molecular weight of 473.53 g/mol, XLogP of 5.28, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-5-methoxy-3-[[2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]methylidene]-1H-indol-2-one is sourced from PubChem (CID 127031469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).