3-(1,2-diphenylindolizin-3-yl)-3-(4-morpholin-4-ylphenyl)-2-benzofuran-1-one

C38H30N2O3 — CID 154249062

IUPAC3-(1,2-diphenylindolizin-3-yl)-3-(4-morpholin-4-ylphenyl)-2-benzofuran-1-one
SMILESO=C1OC(c2ccc(N3CCOCC3)cc2)(c2c(-c3ccccc3)c(-c3ccccc3)c3ccccn23)c2ccccc21
InChIInChI=1S/C38H30N2O3/c41-37-31-15-7-8-16-32(31)38(43-37,29-18-20-30(21-19-29)39-23-25-42-26-24-39)36-35(28-13-5-2-6-14-28)34(27-11-3-1-4-12-27)33-17-9-10-22-40(33)36/h1-22H,23-26H2
InChIKeyGGDPPRISBYFZIU-UHFFFAOYSA-N
MW562.67 g/mol
LogP7.57
Rot. Bonds5

About 3-(1,2-diphenylindolizin-3-yl)-3-(4-morpholin-4-ylphenyl)-2-benzofuran-1-one

3-(1,2-diphenylindolizin-3-yl)-3-(4-morpholin-4-ylphenyl)-2-benzofuran-1-one (PubChem CID 154249062) has the molecular formula C38H30N2O3 and a molecular weight of 562.67 g/mol. Its IUPAC name is 3-(1,2-diphenylindolizin-3-yl)-3-(4-morpholin-4-ylphenyl)-2-benzofuran-1-one.

Molecular Properties

Compound Name3-(1,2-diphenylindolizin-3-yl)-3-(4-morpholin-4-ylphenyl)-2-benzofuran-1-one
PubChem CID154249062
Molecular FormulaC38H30N2O3
Molecular Weight562.67 g/mol
Exact Mass562.23
IUPAC Name3-(1,2-diphenylindolizin-3-yl)-3-(4-morpholin-4-ylphenyl)-2-benzofuran-1-one
SMILESO=C1OC(c2ccc(N3CCOCC3)cc2)(c2c(-c3ccccc3)c(-c3ccccc3)c3ccccn23)c2ccccc21
InChIInChI=1S/C38H30N2O3/c41-37-31-15-7-8-16-32(31)38(43-37,29-18-20-30(21-19-29)39-23-25-42-26-24-39)36-35(28-13-5-2-6-14-28)34(27-11-3-1-4-12-27)33-17-9-10-22-40(33)36/h1-22H,23-26H2
InChIKeyGGDPPRISBYFZIU-UHFFFAOYSA-N
XLogP7.57
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.67
LogP ≤ 57.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methyl-1-phenylindolizin-3-yl)-N-(4-morpholin-4-ylphenyl)-2-oxoacetamide
CID 24998225
4-(1-phenylindolizin-3-yl)morpholine
CID 12946097
1'-[1-(4-morpholin-4-ylphenyl)cyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one
CID 66662748
3,3-bis(4-phenoxyphenyl)-2-benzofuran-1-one
CID 10920180
3-(4-hydroxy-3,5-diphenylphenyl)-3-(4-hydroxyphenyl)-2-benzofuran-1-one
CID 54054786
2',6'-di(piperidin-1-yl)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 15918903
3-(4-hydroxyphenyl)-3-(4-oxocyclohexen-1-yl)-2-benzofuran-1-one
CID 91185250
1-(4-phenylphenyl)aziridine
CID 152682568
2-morpholin-4-yl-3-phenylnaphthalene-1,4-dione
CID 18871136
(3Z)-3-[(4-morpholin-4-ylphenyl)methylidene]-1H-indol-2-one
CID 2379240
3-methyl-3-(4-phenylphenyl)-2-benzofuran-1-one
CID 100934650
4-(1-methyl-2-phenylindol-5-yl)morpholine
CID 102182006

Frequently Asked Questions

What is the IUPAC name of 3-(1,2-diphenylindolizin-3-yl)-3-(4-morpholin-4-ylphenyl)-2-benzofuran-1-one?
The IUPAC name of 3-(1,2-diphenylindolizin-3-yl)-3-(4-morpholin-4-ylphenyl)-2-benzofuran-1-one (CID 154249062) is 3-(1,2-diphenylindolizin-3-yl)-3-(4-morpholin-4-ylphenyl)-2-benzofuran-1-one.
What is the SMILES notation for 3-(1,2-diphenylindolizin-3-yl)-3-(4-morpholin-4-ylphenyl)-2-benzofuran-1-one?
The canonical SMILES for 3-(1,2-diphenylindolizin-3-yl)-3-(4-morpholin-4-ylphenyl)-2-benzofuran-1-one is O=C1OC(c2ccc(N3CCOCC3)cc2)(c2c(-c3ccccc3)c(-c3ccccc3)c3ccccn23)c2ccccc21.
What is the InChIKey of 3-(1,2-diphenylindolizin-3-yl)-3-(4-morpholin-4-ylphenyl)-2-benzofuran-1-one?
The InChIKey is GGDPPRISBYFZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H30N2O3/c41-37-31-15-7-8-16-32(31)38(43-37,29-18-20-30(21-19-29)39-23-25-42-26-24-39)36-35(28-13-5-2-6-14-28)34(27-11-3-1-4-12-27)33-17-9-10-22-40(33)36/h1-22H,23-26H2.
What are the key properties of 3-(1,2-diphenylindolizin-3-yl)-3-(4-morpholin-4-ylphenyl)-2-benzofuran-1-one?
3-(1,2-diphenylindolizin-3-yl)-3-(4-morpholin-4-ylphenyl)-2-benzofuran-1-one has a molecular weight of 562.67 g/mol, XLogP of 7.57, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2-diphenylindolizin-3-yl)-3-(4-morpholin-4-ylphenyl)-2-benzofuran-1-one is sourced from PubChem (CID 154249062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).