3,5-dimethyl-4-[(E)-2-[5-[[5-[(E)-2-phenylethenyl]pyrrol-2-ylidene]methyl]-1H-pyrrol-2-yl]ethenyl]-1,2-oxazole;3,5-dimethyl-2-[[5-(1H-pyrrol-2-yl)pyrrol-2-ylidene]methyl]-1H-pyrrole;3,5-diphenyl-2-[(5-thiophen-2-yl-1H-pyrrol-2-yl)methylidene]pyrrole;2-[(5-ethyl-1H-pyrrol-2-yl)methylidene]-5-thiophen-2-ylpyrrole;(5Z)-2-phenyl-5-[(5-phenyl-1H-pyrrol-2-yl)methylidene]pyrrole;(5Z)-2-thiophen-2-yl-5-[(5-thiophen-2-yl-1H-pyrrol-2-yl)methylidene]pyrrole

C117H96N14OS4 — CID 159897137

IUPAC3,5-dimethyl-4-[(E)-2-[5-[[5-[(E)-2-phenylethenyl]pyrrol-2-ylidene]methyl]-1H-pyrrol-2-yl]ethenyl]-1,2-oxazole;3,5-dimethyl-2-[[5-(1H-pyrrol-2-yl)pyrrol-2-ylidene]methyl]-1H-pyrrole;3,5-diphenyl-2-[(5-thiophen-2-yl-1H-pyrrol-2-yl)methylidene]pyrrole;2-[(5-ethyl-1H-pyrrol-2-yl)methylidene]-5-thiophen-2-ylpyrrole;(5Z)-2-phenyl-5-[(5-phenyl-1H-pyrrol-2-yl)methylidene]pyrrole;(5Z)-2-thiophen-2-yl-5-[(5-thiophen-2-yl-1H-pyrrol-2-yl)methylidene]pyrrole
SMILESC(=C1N=C(c2ccccc2)C=C1c1ccccc1)c1ccc(-c2cccs2)[nH]1.C1=C/C(=C/c2ccc(-c3ccccc3)[nH]2)N=C1c1ccccc1.C1=C/C(=C/c2ccc(-c3cccs3)[nH]2)N=C1c1cccs1.CCc1ccc(C=C2C=CC(c3cccs3)=N2)[nH]1.Cc1cc(C)c(C=C2C=CC(c3ccc[nH]3)=N2)[nH]1.Cc1noc(C)c1/C=C/c1ccc(C=C2C=CC(/C=C/c3ccccc3)=N2)[nH]1
InChIInChI=1S/C25H18N2S.C24H21N3O.C21H16N2.C17H12N2S2.C15H15N3.C15H14N2S/c1-3-8-18(9-4-1)21-17-23(19-10-5-2-6-11-19)27-24(21)16-20-13-14-22(26-20)25-12-7-15-28-25;1-17-24(18(2)28-27-17)15-14-21-11-13-23(26-21)16-22-12-10-20(25-22)9-8-19-6-4-3-5-7-19;1-3-7-16(8-4-1)20-13-11-18(22-20)15-19-12-14-21(23-19)17-9-5-2-6-10-17;1-3-16(20-9-1)14-7-5-12(18-14)11-13-6-8-15(19-13)17-4-2-10-21-17;1-10-8-11(2)17-15(10)9-12-5-6-14(18-12)13-4-3-7-16-13;1-2-11-5-6-12(16-11)10-13-7-8-14(17-13)15-4-3-9-18-15/h1-17,26H;3-16,26H,1-2H3;1-15,22H;1-11,18H;3-9,16-17H,1-2H3;3-10,16H,2H2,1H3/b;9-8+,15-14+,22-16?;19-15-;13-11-;;
InChIKeySRUBXQMJBVVACG-XZTVRUGNSA-N
MW1842.42 g/mol
LogP30.21
Rot. Bonds20

About 3,5-dimethyl-4-[(E)-2-[5-[[5-[(E)-2-phenylethenyl]pyrrol-2-ylidene]methyl]-1H-pyrrol-2-yl]ethenyl]-1,2-oxazole;3,5-dimethyl-2-[[5-(1H-pyrrol-2-yl)pyrrol-2-ylidene]methyl]-1H-pyrrole;3,5-diphenyl-2-[(5-thiophen-2-yl-1H-pyrrol-2-yl)methylidene]pyrrole;2-[(5-ethyl-1H-pyrrol-2-yl)methylidene]-5-thiophen-2-ylpyrrole;(5Z)-2-phenyl-5-[(5-phenyl-1H-pyrrol-2-yl)methylidene]pyrrole;(5Z)-2-thiophen-2-yl-5-[(5-thiophen-2-yl-1H-pyrrol-2-yl)methylidene]pyrrole

3,5-dimethyl-4-[(E)-2-[5-[[5-[(E)-2-phenylethenyl]pyrrol-2-ylidene]methyl]-1H-pyrrol-2-yl]ethenyl]-1,2-oxazole;3,5-dimethyl-2-[[5-(1H-pyrrol-2-yl)pyrrol-2-ylidene]methyl]-1H-pyrrole;3,5-diphenyl-2-[(5-thiophen-2-yl-1H-pyrrol-2-yl)methylidene]pyrrole;2-[(5-ethyl-1H-pyrrol-2-yl)methylidene]-5-thiophen-2-ylpyrrole;(5Z)-2-phenyl-5-[(5-phenyl-1H-pyrrol-2-yl)methylidene]pyrrole;(5Z)-2-thiophen-2-yl-5-[(5-thiophen-2-yl-1H-pyrrol-2-yl)methylidene]pyrrole (PubChem CID 159897137) has the molecular formula C117H96N14OS4 and a molecular weight of 1842.42 g/mol. Its IUPAC name is 3,5-dimethyl-4-[(E)-2-[5-[[5-[(E)-2-phenylethenyl]pyrrol-2-ylidene]methyl]-1H-pyrrol-2-yl]ethenyl]-1,2-oxazole;3,5-dimethyl-2-[[5-(1H-pyrrol-2-yl)pyrrol-2-ylidene]methyl]-1H-pyrrole;3,5-diphenyl-2-[(5-thiophen-2-yl-1H-pyrrol-2-yl)methylidene]pyrrole;2-[(5-ethyl-1H-pyrrol-2-yl)methylidene]-5-thiophen-2-ylpyrrole;(5Z)-2-phenyl-5-[(5-phenyl-1H-pyrrol-2-yl)methylidene]pyrrole;(5Z)-2-thiophen-2-yl-5-[(5-thiophen-2-yl-1H-pyrrol-2-yl)methylidene]pyrrole.

Molecular Properties

Compound Name3,5-dimethyl-4-[(E)-2-[5-[[5-[(E)-2-phenylethenyl]pyrrol-2-ylidene]methyl]-1H-pyrrol-2-yl]ethenyl]-1,2-oxazole;3,5-dimethyl-2-[[5-(1H-pyrrol-2-yl)pyrrol-2-ylidene]methyl]-1H-pyrrole;3,5-diphenyl-2-[(5-thiophen-2-yl-1H-pyrrol-2-yl)methylidene]pyrrole;2-[(5-ethyl-1H-pyrrol-2-yl)methylidene]-5-thiophen-2-ylpyrrole;(5Z)-2-phenyl-5-[(5-phenyl-1H-pyrrol-2-yl)methylidene]pyrrole;(5Z)-2-thiophen-2-yl-5-[(5-thiophen-2-yl-1H-pyrrol-2-yl)methylidene]pyrrole
PubChem CID159897137
Molecular FormulaC117H96N14OS4
Molecular Weight1842.42 g/mol
Exact Mass1840.68
IUPAC Name3,5-dimethyl-4-[(E)-2-[5-[[5-[(E)-2-phenylethenyl]pyrrol-2-ylidene]methyl]-1H-pyrrol-2-yl]ethenyl]-1,2-oxazole;3,5-dimethyl-2-[[5-(1H-pyrrol-2-yl)pyrrol-2-ylidene]methyl]-1H-pyrrole;3,5-diphenyl-2-[(5-thiophen-2-yl-1H-pyrrol-2-yl)methylidene]pyrrole;2-[(5-ethyl-1H-pyrrol-2-yl)methylidene]-5-thiophen-2-ylpyrrole;(5Z)-2-phenyl-5-[(5-phenyl-1H-pyrrol-2-yl)methylidene]pyrrole;(5Z)-2-thiophen-2-yl-5-[(5-thiophen-2-yl-1H-pyrrol-2-yl)methylidene]pyrrole
SMILESC(=C1N=C(c2ccccc2)C=C1c1ccccc1)c1ccc(-c2cccs2)[nH]1.C1=C/C(=C/c2ccc(-c3ccccc3)[nH]2)N=C1c1ccccc1.C1=C/C(=C/c2ccc(-c3cccs3)[nH]2)N=C1c1cccs1.CCc1ccc(C=C2C=CC(c3cccs3)=N2)[nH]1.Cc1cc(C)c(C=C2C=CC(c3ccc[nH]3)=N2)[nH]1.Cc1noc(C)c1/C=C/c1ccc(C=C2C=CC(/C=C/c3ccccc3)=N2)[nH]1
InChIInChI=1S/C25H18N2S.C24H21N3O.C21H16N2.C17H12N2S2.C15H15N3.C15H14N2S/c1-3-8-18(9-4-1)21-17-23(19-10-5-2-6-11-19)27-24(21)16-20-13-14-22(26-20)25-12-7-15-28-25;1-17-24(18(2)28-27-17)15-14-21-11-13-23(26-21)16-22-12-10-20(25-22)9-8-19-6-4-3-5-7-19;1-3-7-16(8-4-1)20-13-11-18(22-20)15-19-12-14-21(23-19)17-9-5-2-6-10-17;1-3-16(20-9-1)14-7-5-12(18-14)11-13-6-8-15(19-13)17-4-2-10-21-17;1-10-8-11(2)17-15(10)9-12-5-6-14(18-12)13-4-3-7-16-13;1-2-11-5-6-12(16-11)10-13-7-8-14(17-13)15-4-3-9-18-15/h1-17,26H;3-16,26H,1-2H3;1-15,22H;1-11,18H;3-9,16-17H,1-2H3;3-10,16H,2H2,1H3/b;9-8+,15-14+,22-16?;19-15-;13-11-;;
InChIKeySRUBXQMJBVVACG-XZTVRUGNSA-N
XLogP30.21
TPSA210.72 Ų
H-Bond Donors7
H-Bond Acceptors12
Rotatable Bonds20
Heavy Atoms136
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001842.42
LogP ≤ 530.21
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1012

Analyze 3,5-dimethyl-4-[(E)-2-[5-[[5-[(E)-2-phenylethenyl]pyrrol-2-ylidene]methyl]-1H-pyrrol-2-yl]ethenyl]-1,2-oxazole;3,5-dimethyl-2-[[5-(1H-pyrrol-2-yl)pyrrol-2-ylidene]methyl]-1H-pyrrole;3,5-diphenyl-2-[(5-thiophen-2-yl-1H-pyrrol-2-yl)methylidene]pyrrole;2-[(5-ethyl-1H-pyrrol-2-yl)methylidene]-5-thiophen-2-ylpyrrole;(5Z)-2-phenyl-5-[(5-phenyl-1H-pyrrol-2-yl)methylidene]pyrrole;(5Z)-2-thiophen-2-yl-5-[(5-thiophen-2-yl-1H-pyrrol-2-yl)methylidene]pyrrole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[(E)-2-[5-[[5-[(E)-2-phenylethenyl]pyrrol-2-ylidene]methyl]-1H-pyrrol-2-yl]ethenyl]-1,2-oxazole;3,5-dimethyl-2-[[5-(1H-pyrrol-2-yl)pyrrol-2-ylidene]methyl]-1H-pyrrole;3,5-diphenyl-2-[(5-thiophen-2-yl-1H-pyrrol-2-yl)methylidene]pyrrole;2-[(5-ethyl-1H-pyrrol-2-yl)methylidene]-5-thiophen-2-ylpyrrole;(5Z)-2-phenyl-5-[(5-phenyl-1H-pyrrol-2-yl)methylidene]pyrrole;(5Z)-2-thiophen-2-yl-5-[(5-thiophen-2-yl-1H-pyrrol-2-yl)methylidene]pyrrole?
The IUPAC name of 3,5-dimethyl-4-[(E)-2-[5-[[5-[(E)-2-phenylethenyl]pyrrol-2-ylidene]methyl]-1H-pyrrol-2-yl]ethenyl]-1,2-oxazole;3,5-dimethyl-2-[[5-(1H-pyrrol-2-yl)pyrrol-2-ylidene]methyl]-1H-pyrrole;3,5-diphenyl-2-[(5-thiophen-2-yl-1H-pyrrol-2-yl)methylidene]pyrrole;2-[(5-ethyl-1H-pyrrol-2-yl)methylidene]-5-thiophen-2-ylpyrrole;(5Z)-2-phenyl-5-[(5-phenyl-1H-pyrrol-2-yl)methylidene]pyrrole;(5Z)-2-thiophen-2-yl-5-[(5-thiophen-2-yl-1H-pyrrol-2-yl)methylidene]pyrrole (CID 159897137) is 3,5-dimethyl-4-[(E)-2-[5-[[5-[(E)-2-phenylethenyl]pyrrol-2-ylidene]methyl]-1H-pyrrol-2-yl]ethenyl]-1,2-oxazole;3,5-dimethyl-2-[[5-(1H-pyrrol-2-yl)pyrrol-2-ylidene]methyl]-1H-pyrrole;3,5-diphenyl-2-[(5-thiophen-2-yl-1H-pyrrol-2-yl)methylidene]pyrrole;2-[(5-ethyl-1H-pyrrol-2-yl)methylidene]-5-thiophen-2-ylpyrrole;(5Z)-2-phenyl-5-[(5-phenyl-1H-pyrrol-2-yl)methylidene]pyrrole;(5Z)-2-thiophen-2-yl-5-[(5-thiophen-2-yl-1H-pyrrol-2-yl)methylidene]pyrrole.
What is the SMILES notation for 3,5-dimethyl-4-[(E)-2-[5-[[5-[(E)-2-phenylethenyl]pyrrol-2-ylidene]methyl]-1H-pyrrol-2-yl]ethenyl]-1,2-oxazole;3,5-dimethyl-2-[[5-(1H-pyrrol-2-yl)pyrrol-2-ylidene]methyl]-1H-pyrrole;3,5-diphenyl-2-[(5-thiophen-2-yl-1H-pyrrol-2-yl)methylidene]pyrrole;2-[(5-ethyl-1H-pyrrol-2-yl)methylidene]-5-thiophen-2-ylpyrrole;(5Z)-2-phenyl-5-[(5-phenyl-1H-pyrrol-2-yl)methylidene]pyrrole;(5Z)-2-thiophen-2-yl-5-[(5-thiophen-2-yl-1H-pyrrol-2-yl)methylidene]pyrrole?
The canonical SMILES for 3,5-dimethyl-4-[(E)-2-[5-[[5-[(E)-2-phenylethenyl]pyrrol-2-ylidene]methyl]-1H-pyrrol-2-yl]ethenyl]-1,2-oxazole;3,5-dimethyl-2-[[5-(1H-pyrrol-2-yl)pyrrol-2-ylidene]methyl]-1H-pyrrole;3,5-diphenyl-2-[(5-thiophen-2-yl-1H-pyrrol-2-yl)methylidene]pyrrole;2-[(5-ethyl-1H-pyrrol-2-yl)methylidene]-5-thiophen-2-ylpyrrole;(5Z)-2-phenyl-5-[(5-phenyl-1H-pyrrol-2-yl)methylidene]pyrrole;(5Z)-2-thiophen-2-yl-5-[(5-thiophen-2-yl-1H-pyrrol-2-yl)methylidene]pyrrole is C(=C1N=C(c2ccccc2)C=C1c1ccccc1)c1ccc(-c2cccs2)[nH]1.C1=C/C(=C/c2ccc(-c3ccccc3)[nH]2)N=C1c1ccccc1.C1=C/C(=C/c2ccc(-c3cccs3)[nH]2)N=C1c1cccs1.CCc1ccc(C=C2C=CC(c3cccs3)=N2)[nH]1.Cc1cc(C)c(C=C2C=CC(c3ccc[nH]3)=N2)[nH]1.Cc1noc(C)c1/C=C/c1ccc(C=C2C=CC(/C=C/c3ccccc3)=N2)[nH]1.
What is the InChIKey of 3,5-dimethyl-4-[(E)-2-[5-[[5-[(E)-2-phenylethenyl]pyrrol-2-ylidene]methyl]-1H-pyrrol-2-yl]ethenyl]-1,2-oxazole;3,5-dimethyl-2-[[5-(1H-pyrrol-2-yl)pyrrol-2-ylidene]methyl]-1H-pyrrole;3,5-diphenyl-2-[(5-thiophen-2-yl-1H-pyrrol-2-yl)methylidene]pyrrole;2-[(5-ethyl-1H-pyrrol-2-yl)methylidene]-5-thiophen-2-ylpyrrole;(5Z)-2-phenyl-5-[(5-phenyl-1H-pyrrol-2-yl)methylidene]pyrrole;(5Z)-2-thiophen-2-yl-5-[(5-thiophen-2-yl-1H-pyrrol-2-yl)methylidene]pyrrole?
The InChIKey is SRUBXQMJBVVACG-XZTVRUGNSA-N. The full InChI is InChI=1S/C25H18N2S.C24H21N3O.C21H16N2.C17H12N2S2.C15H15N3.C15H14N2S/c1-3-8-18(9-4-1)21-17-23(19-10-5-2-6-11-19)27-24(21)16-20-13-14-22(26-20)25-12-7-15-28-25;1-17-24(18(2)28-27-17)15-14-21-11-13-23(26-21)16-22-12-10-20(25-22)9-8-19-6-4-3-5-7-19;1-3-7-16(8-4-1)20-13-11-18(22-20)15-19-12-14-21(23-19)17-9-5-2-6-10-17;1-3-16(20-9-1)14-7-5-12(18-14)11-13-6-8-15(19-13)17-4-2-10-21-17;1-10-8-11(2)17-15(10)9-12-5-6-14(18-12)13-4-3-7-16-13;1-2-11-5-6-12(16-11)10-13-7-8-14(17-13)15-4-3-9-18-15/h1-17,26H;3-16,26H,1-2H3;1-15,22H;1-11,18H;3-9,16-17H,1-2H3;3-10,16H,2H2,1H3/b;9-8+,15-14+,22-16?;19-15-;13-11-;;.
What are the key properties of 3,5-dimethyl-4-[(E)-2-[5-[[5-[(E)-2-phenylethenyl]pyrrol-2-ylidene]methyl]-1H-pyrrol-2-yl]ethenyl]-1,2-oxazole;3,5-dimethyl-2-[[5-(1H-pyrrol-2-yl)pyrrol-2-ylidene]methyl]-1H-pyrrole;3,5-diphenyl-2-[(5-thiophen-2-yl-1H-pyrrol-2-yl)methylidene]pyrrole;2-[(5-ethyl-1H-pyrrol-2-yl)methylidene]-5-thiophen-2-ylpyrrole;(5Z)-2-phenyl-5-[(5-phenyl-1H-pyrrol-2-yl)methylidene]pyrrole;(5Z)-2-thiophen-2-yl-5-[(5-thiophen-2-yl-1H-pyrrol-2-yl)methylidene]pyrrole?
3,5-dimethyl-4-[(E)-2-[5-[[5-[(E)-2-phenylethenyl]pyrrol-2-ylidene]methyl]-1H-pyrrol-2-yl]ethenyl]-1,2-oxazole;3,5-dimethyl-2-[[5-(1H-pyrrol-2-yl)pyrrol-2-ylidene]methyl]-1H-pyrrole;3,5-diphenyl-2-[(5-thiophen-2-yl-1H-pyrrol-2-yl)methylidene]pyrrole;2-[(5-ethyl-1H-pyrrol-2-yl)methylidene]-5-thiophen-2-ylpyrrole;(5Z)-2-phenyl-5-[(5-phenyl-1H-pyrrol-2-yl)methylidene]pyrrole;(5Z)-2-thiophen-2-yl-5-[(5-thiophen-2-yl-1H-pyrrol-2-yl)methylidene]pyrrole has a molecular weight of 1842.42 g/mol, XLogP of 30.21, 20 rotatable bonds, 7 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[(E)-2-[5-[[5-[(E)-2-phenylethenyl]pyrrol-2-ylidene]methyl]-1H-pyrrol-2-yl]ethenyl]-1,2-oxazole;3,5-dimethyl-2-[[5-(1H-pyrrol-2-yl)pyrrol-2-ylidene]methyl]-1H-pyrrole;3,5-diphenyl-2-[(5-thiophen-2-yl-1H-pyrrol-2-yl)methylidene]pyrrole;2-[(5-ethyl-1H-pyrrol-2-yl)methylidene]-5-thiophen-2-ylpyrrole;(5Z)-2-phenyl-5-[(5-phenyl-1H-pyrrol-2-yl)methylidene]pyrrole;(5Z)-2-thiophen-2-yl-5-[(5-thiophen-2-yl-1H-pyrrol-2-yl)methylidene]pyrrole is sourced from PubChem (CID 159897137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).