2,5-dimethyl-1,4-bis(5-methylfuran-2-yl)pyrrolo[3,4-c]pyrrole-3,6-dione;2,5-dimethyl-1,4-bis(4-methylphenyl)pyrrolo[3,4-c]pyrrole-3,6-dione;2,5-dimethyl-1,4-bis(5-methyl-2-pyridinyl)pyrrolo[3,4-c]pyrrole-3,6-dione;2,5-dimethyl-1,4-bis(5-methylthiophen-2-yl)pyrrolo[3,4-c]pyrrole-3,6-dione;(2E)-2-(1,6-dimethyl-3-oxoindol-2-ylidene)-1,6-dimethylindol-3-one;(3E)-3-(1,6-dimethyl-2-oxoindol-3-ylidene)-1,6-dimethylindol-2-one

C118H106N14O14S2 — CID 164961913

IUPAC2,5-dimethyl-1,4-bis(5-methylfuran-2-yl)pyrrolo[3,4-c]pyrrole-3,6-dione;2,5-dimethyl-1,4-bis(4-methylphenyl)pyrrolo[3,4-c]pyrrole-3,6-dione;2,5-dimethyl-1,4-bis(5-methyl-2-pyridinyl)pyrrolo[3,4-c]pyrrole-3,6-dione;2,5-dimethyl-1,4-bis(5-methylthiophen-2-yl)pyrrolo[3,4-c]pyrrole-3,6-dione;(2E)-2-(1,6-dimethyl-3-oxoindol-2-ylidene)-1,6-dimethylindol-3-one;(3E)-3-(1,6-dimethyl-2-oxoindol-3-ylidene)-1,6-dimethylindol-2-one
SMILESCc1ccc(C2=C3C(=O)N(C)C(c4ccc(C)cc4)=C3C(=O)N2C)cc1.Cc1ccc(C2=C3C(=O)N(C)C(c4ccc(C)cn4)=C3C(=O)N2C)nc1.Cc1ccc(C2=C3C(=O)N(C)C(c4ccc(C)o4)=C3C(=O)N2C)o1.Cc1ccc(C2=C3C(=O)N(C)C(c4ccc(C)s4)=C3C(=O)N2C)s1.Cc1ccc2c(c1)N(C)/C(=C1\C(=O)c3ccc(C)cc3N1C)C2=O.Cc1ccc2c(c1)N(C)C(=O)/C2=C1/C(=O)N(C)c2cc(C)ccc21
InChIInChI=1S/C22H20N2O2.C20H18N4O2.2C20H18N2O2.C18H16N2O4.C18H16N2O2S2/c1-13-5-9-15(10-6-13)19-17-18(22(26)23(19)3)20(24(4)21(17)25)16-11-7-14(2)8-12-16;1-11-5-7-13(21-9-11)17-15-16(20(26)23(17)3)18(24(4)19(15)25)14-8-6-12(2)10-22-14;1-11-5-7-13-15(9-11)21(3)17(19(13)23)18-20(24)14-8-6-12(2)10-16(14)22(18)4;1-11-5-7-13-15(9-11)21(3)19(23)17(13)18-14-8-6-12(2)10-16(14)22(4)20(18)24;2*1-9-5-7-11(23-9)15-13-14(18(22)19(15)3)16(20(4)17(13)21)12-8-6-10(2)24-12/h5-12H,1-4H3;5-10H,1-4H3;2*5-10H,1-4H3;2*5-8H,1-4H3/b;;2*18-17+;;
InChIKeyBYKOUCSNJIRDSU-BHTTZBDQSA-N
MW2008.36 g/mol
LogP18.23
Rot. Bonds8

About 2,5-dimethyl-1,4-bis(5-methylfuran-2-yl)pyrrolo[3,4-c]pyrrole-3,6-dione;2,5-dimethyl-1,4-bis(4-methylphenyl)pyrrolo[3,4-c]pyrrole-3,6-dione;2,5-dimethyl-1,4-bis(5-methyl-2-pyridinyl)pyrrolo[3,4-c]pyrrole-3,6-dione;2,5-dimethyl-1,4-bis(5-methylthiophen-2-yl)pyrrolo[3,4-c]pyrrole-3,6-dione;(2E)-2-(1,6-dimethyl-3-oxoindol-2-ylidene)-1,6-dimethylindol-3-one;(3E)-3-(1,6-dimethyl-2-oxoindol-3-ylidene)-1,6-dimethylindol-2-one

2,5-dimethyl-1,4-bis(5-methylfuran-2-yl)pyrrolo[3,4-c]pyrrole-3,6-dione;2,5-dimethyl-1,4-bis(4-methylphenyl)pyrrolo[3,4-c]pyrrole-3,6-dione;2,5-dimethyl-1,4-bis(5-methyl-2-pyridinyl)pyrrolo[3,4-c]pyrrole-3,6-dione;2,5-dimethyl-1,4-bis(5-methylthiophen-2-yl)pyrrolo[3,4-c]pyrrole-3,6-dione;(2E)-2-(1,6-dimethyl-3-oxoindol-2-ylidene)-1,6-dimethylindol-3-one;(3E)-3-(1,6-dimethyl-2-oxoindol-3-ylidene)-1,6-dimethylindol-2-one (PubChem CID 164961913) has the molecular formula C118H106N14O14S2 and a molecular weight of 2008.36 g/mol. Its IUPAC name is 2,5-dimethyl-1,4-bis(5-methylfuran-2-yl)pyrrolo[3,4-c]pyrrole-3,6-dione;2,5-dimethyl-1,4-bis(4-methylphenyl)pyrrolo[3,4-c]pyrrole-3,6-dione;2,5-dimethyl-1,4-bis(5-methyl-2-pyridinyl)pyrrolo[3,4-c]pyrrole-3,6-dione;2,5-dimethyl-1,4-bis(5-methylthiophen-2-yl)pyrrolo[3,4-c]pyrrole-3,6-dione;(2E)-2-(1,6-dimethyl-3-oxoindol-2-ylidene)-1,6-dimethylindol-3-one;(3E)-3-(1,6-dimethyl-2-oxoindol-3-ylidene)-1,6-dimethylindol-2-one.

Molecular Properties

Compound Name2,5-dimethyl-1,4-bis(5-methylfuran-2-yl)pyrrolo[3,4-c]pyrrole-3,6-dione;2,5-dimethyl-1,4-bis(4-methylphenyl)pyrrolo[3,4-c]pyrrole-3,6-dione;2,5-dimethyl-1,4-bis(5-methyl-2-pyridinyl)pyrrolo[3,4-c]pyrrole-3,6-dione;2,5-dimethyl-1,4-bis(5-methylthiophen-2-yl)pyrrolo[3,4-c]pyrrole-3,6-dione;(2E)-2-(1,6-dimethyl-3-oxoindol-2-ylidene)-1,6-dimethylindol-3-one;(3E)-3-(1,6-dimethyl-2-oxoindol-3-ylidene)-1,6-dimethylindol-2-one
PubChem CID164961913
Molecular FormulaC118H106N14O14S2
Molecular Weight2008.36 g/mol
Exact Mass2006.75
IUPAC Name2,5-dimethyl-1,4-bis(5-methylfuran-2-yl)pyrrolo[3,4-c]pyrrole-3,6-dione;2,5-dimethyl-1,4-bis(4-methylphenyl)pyrrolo[3,4-c]pyrrole-3,6-dione;2,5-dimethyl-1,4-bis(5-methyl-2-pyridinyl)pyrrolo[3,4-c]pyrrole-3,6-dione;2,5-dimethyl-1,4-bis(5-methylthiophen-2-yl)pyrrolo[3,4-c]pyrrole-3,6-dione;(2E)-2-(1,6-dimethyl-3-oxoindol-2-ylidene)-1,6-dimethylindol-3-one;(3E)-3-(1,6-dimethyl-2-oxoindol-3-ylidene)-1,6-dimethylindol-2-one
SMILESCc1ccc(C2=C3C(=O)N(C)C(c4ccc(C)cc4)=C3C(=O)N2C)cc1.Cc1ccc(C2=C3C(=O)N(C)C(c4ccc(C)cn4)=C3C(=O)N2C)nc1.Cc1ccc(C2=C3C(=O)N(C)C(c4ccc(C)o4)=C3C(=O)N2C)o1.Cc1ccc(C2=C3C(=O)N(C)C(c4ccc(C)s4)=C3C(=O)N2C)s1.Cc1ccc2c(c1)N(C)/C(=C1\C(=O)c3ccc(C)cc3N1C)C2=O.Cc1ccc2c(c1)N(C)C(=O)/C2=C1/C(=O)N(C)c2cc(C)ccc21
InChIInChI=1S/C22H20N2O2.C20H18N4O2.2C20H18N2O2.C18H16N2O4.C18H16N2O2S2/c1-13-5-9-15(10-6-13)19-17-18(22(26)23(19)3)20(24(4)21(17)25)16-11-7-14(2)8-12-16;1-11-5-7-13(21-9-11)17-15-16(20(26)23(17)3)18(24(4)19(15)25)14-8-6-12(2)10-22-14;1-11-5-7-13-15(9-11)21(3)17(19(13)23)18-20(24)14-8-6-12(2)10-16(14)22(18)4;1-11-5-7-13-15(9-11)21(3)19(23)17(13)18-14-8-6-12(2)10-16(14)22(4)20(18)24;2*1-9-5-7-11(23-9)15-13-14(18(22)19(15)3)16(20(4)17(13)21)12-8-6-10(2)24-12/h5-12H,1-4H3;5-10H,1-4H3;2*5-10H,1-4H3;2*5-8H,1-4H3/b;;2*18-17+;;
InChIKeyBYKOUCSNJIRDSU-BHTTZBDQSA-N
XLogP18.23
TPSA295.78 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds8
Heavy Atoms148
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002008.36
LogP ≤ 518.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_C(85)', 'substructure': 'N/A'}, {'alert_name': 'ene_five_het_E(44)', 'substructure': 'N/A'}, {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 2,5-dimethyl-1,4-bis(5-methylfuran-2-yl)pyrrolo[3,4-c]pyrrole-3,6-dione;2,5-dimethyl-1,4-bis(4-methylphenyl)pyrrolo[3,4-c]pyrrole-3,6-dione;2,5-dimethyl-1,4-bis(5-methyl-2-pyridinyl)pyrrolo[3,4-c]pyrrole-3,6-dione;2,5-dimethyl-1,4-bis(5-methylthiophen-2-yl)pyrrolo[3,4-c]pyrrole-3,6-dione;(2E)-2-(1,6-dimethyl-3-oxoindol-2-ylidene)-1,6-dimethylindol-3-one;(3E)-3-(1,6-dimethyl-2-oxoindol-3-ylidene)-1,6-dimethylindol-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1,4-bis(5-methylfuran-2-yl)pyrrolo[3,4-c]pyrrole-3,6-dione;2,5-dimethyl-1,4-bis(4-methylphenyl)pyrrolo[3,4-c]pyrrole-3,6-dione;2,5-dimethyl-1,4-bis(5-methyl-2-pyridinyl)pyrrolo[3,4-c]pyrrole-3,6-dione;2,5-dimethyl-1,4-bis(5-methylthiophen-2-yl)pyrrolo[3,4-c]pyrrole-3,6-dione;(2E)-2-(1,6-dimethyl-3-oxoindol-2-ylidene)-1,6-dimethylindol-3-one;(3E)-3-(1,6-dimethyl-2-oxoindol-3-ylidene)-1,6-dimethylindol-2-one?
The IUPAC name of 2,5-dimethyl-1,4-bis(5-methylfuran-2-yl)pyrrolo[3,4-c]pyrrole-3,6-dione;2,5-dimethyl-1,4-bis(4-methylphenyl)pyrrolo[3,4-c]pyrrole-3,6-dione;2,5-dimethyl-1,4-bis(5-methyl-2-pyridinyl)pyrrolo[3,4-c]pyrrole-3,6-dione;2,5-dimethyl-1,4-bis(5-methylthiophen-2-yl)pyrrolo[3,4-c]pyrrole-3,6-dione;(2E)-2-(1,6-dimethyl-3-oxoindol-2-ylidene)-1,6-dimethylindol-3-one;(3E)-3-(1,6-dimethyl-2-oxoindol-3-ylidene)-1,6-dimethylindol-2-one (CID 164961913) is 2,5-dimethyl-1,4-bis(5-methylfuran-2-yl)pyrrolo[3,4-c]pyrrole-3,6-dione;2,5-dimethyl-1,4-bis(4-methylphenyl)pyrrolo[3,4-c]pyrrole-3,6-dione;2,5-dimethyl-1,4-bis(5-methyl-2-pyridinyl)pyrrolo[3,4-c]pyrrole-3,6-dione;2,5-dimethyl-1,4-bis(5-methylthiophen-2-yl)pyrrolo[3,4-c]pyrrole-3,6-dione;(2E)-2-(1,6-dimethyl-3-oxoindol-2-ylidene)-1,6-dimethylindol-3-one;(3E)-3-(1,6-dimethyl-2-oxoindol-3-ylidene)-1,6-dimethylindol-2-one.
What is the SMILES notation for 2,5-dimethyl-1,4-bis(5-methylfuran-2-yl)pyrrolo[3,4-c]pyrrole-3,6-dione;2,5-dimethyl-1,4-bis(4-methylphenyl)pyrrolo[3,4-c]pyrrole-3,6-dione;2,5-dimethyl-1,4-bis(5-methyl-2-pyridinyl)pyrrolo[3,4-c]pyrrole-3,6-dione;2,5-dimethyl-1,4-bis(5-methylthiophen-2-yl)pyrrolo[3,4-c]pyrrole-3,6-dione;(2E)-2-(1,6-dimethyl-3-oxoindol-2-ylidene)-1,6-dimethylindol-3-one;(3E)-3-(1,6-dimethyl-2-oxoindol-3-ylidene)-1,6-dimethylindol-2-one?
The canonical SMILES for 2,5-dimethyl-1,4-bis(5-methylfuran-2-yl)pyrrolo[3,4-c]pyrrole-3,6-dione;2,5-dimethyl-1,4-bis(4-methylphenyl)pyrrolo[3,4-c]pyrrole-3,6-dione;2,5-dimethyl-1,4-bis(5-methyl-2-pyridinyl)pyrrolo[3,4-c]pyrrole-3,6-dione;2,5-dimethyl-1,4-bis(5-methylthiophen-2-yl)pyrrolo[3,4-c]pyrrole-3,6-dione;(2E)-2-(1,6-dimethyl-3-oxoindol-2-ylidene)-1,6-dimethylindol-3-one;(3E)-3-(1,6-dimethyl-2-oxoindol-3-ylidene)-1,6-dimethylindol-2-one is Cc1ccc(C2=C3C(=O)N(C)C(c4ccc(C)cc4)=C3C(=O)N2C)cc1.Cc1ccc(C2=C3C(=O)N(C)C(c4ccc(C)cn4)=C3C(=O)N2C)nc1.Cc1ccc(C2=C3C(=O)N(C)C(c4ccc(C)o4)=C3C(=O)N2C)o1.Cc1ccc(C2=C3C(=O)N(C)C(c4ccc(C)s4)=C3C(=O)N2C)s1.Cc1ccc2c(c1)N(C)/C(=C1\C(=O)c3ccc(C)cc3N1C)C2=O.Cc1ccc2c(c1)N(C)C(=O)/C2=C1/C(=O)N(C)c2cc(C)ccc21.
What is the InChIKey of 2,5-dimethyl-1,4-bis(5-methylfuran-2-yl)pyrrolo[3,4-c]pyrrole-3,6-dione;2,5-dimethyl-1,4-bis(4-methylphenyl)pyrrolo[3,4-c]pyrrole-3,6-dione;2,5-dimethyl-1,4-bis(5-methyl-2-pyridinyl)pyrrolo[3,4-c]pyrrole-3,6-dione;2,5-dimethyl-1,4-bis(5-methylthiophen-2-yl)pyrrolo[3,4-c]pyrrole-3,6-dione;(2E)-2-(1,6-dimethyl-3-oxoindol-2-ylidene)-1,6-dimethylindol-3-one;(3E)-3-(1,6-dimethyl-2-oxoindol-3-ylidene)-1,6-dimethylindol-2-one?
The InChIKey is BYKOUCSNJIRDSU-BHTTZBDQSA-N. The full InChI is InChI=1S/C22H20N2O2.C20H18N4O2.2C20H18N2O2.C18H16N2O4.C18H16N2O2S2/c1-13-5-9-15(10-6-13)19-17-18(22(26)23(19)3)20(24(4)21(17)25)16-11-7-14(2)8-12-16;1-11-5-7-13(21-9-11)17-15-16(20(26)23(17)3)18(24(4)19(15)25)14-8-6-12(2)10-22-14;1-11-5-7-13-15(9-11)21(3)17(19(13)23)18-20(24)14-8-6-12(2)10-16(14)22(18)4;1-11-5-7-13-15(9-11)21(3)19(23)17(13)18-14-8-6-12(2)10-16(14)22(4)20(18)24;2*1-9-5-7-11(23-9)15-13-14(18(22)19(15)3)16(20(4)17(13)21)12-8-6-10(2)24-12/h5-12H,1-4H3;5-10H,1-4H3;2*5-10H,1-4H3;2*5-8H,1-4H3/b;;2*18-17+;;.
What are the key properties of 2,5-dimethyl-1,4-bis(5-methylfuran-2-yl)pyrrolo[3,4-c]pyrrole-3,6-dione;2,5-dimethyl-1,4-bis(4-methylphenyl)pyrrolo[3,4-c]pyrrole-3,6-dione;2,5-dimethyl-1,4-bis(5-methyl-2-pyridinyl)pyrrolo[3,4-c]pyrrole-3,6-dione;2,5-dimethyl-1,4-bis(5-methylthiophen-2-yl)pyrrolo[3,4-c]pyrrole-3,6-dione;(2E)-2-(1,6-dimethyl-3-oxoindol-2-ylidene)-1,6-dimethylindol-3-one;(3E)-3-(1,6-dimethyl-2-oxoindol-3-ylidene)-1,6-dimethylindol-2-one?
2,5-dimethyl-1,4-bis(5-methylfuran-2-yl)pyrrolo[3,4-c]pyrrole-3,6-dione;2,5-dimethyl-1,4-bis(4-methylphenyl)pyrrolo[3,4-c]pyrrole-3,6-dione;2,5-dimethyl-1,4-bis(5-methyl-2-pyridinyl)pyrrolo[3,4-c]pyrrole-3,6-dione;2,5-dimethyl-1,4-bis(5-methylthiophen-2-yl)pyrrolo[3,4-c]pyrrole-3,6-dione;(2E)-2-(1,6-dimethyl-3-oxoindol-2-ylidene)-1,6-dimethylindol-3-one;(3E)-3-(1,6-dimethyl-2-oxoindol-3-ylidene)-1,6-dimethylindol-2-one has a molecular weight of 2008.36 g/mol, XLogP of 18.23, 8 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1,4-bis(5-methylfuran-2-yl)pyrrolo[3,4-c]pyrrole-3,6-dione;2,5-dimethyl-1,4-bis(4-methylphenyl)pyrrolo[3,4-c]pyrrole-3,6-dione;2,5-dimethyl-1,4-bis(5-methyl-2-pyridinyl)pyrrolo[3,4-c]pyrrole-3,6-dione;2,5-dimethyl-1,4-bis(5-methylthiophen-2-yl)pyrrolo[3,4-c]pyrrole-3,6-dione;(2E)-2-(1,6-dimethyl-3-oxoindol-2-ylidene)-1,6-dimethylindol-3-one;(3E)-3-(1,6-dimethyl-2-oxoindol-3-ylidene)-1,6-dimethylindol-2-one is sourced from PubChem (CID 164961913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).