2,3-di(propan-2-yl)-1H-indene-4,7-dione;1-oxido-2-propan-2-ylindazol-1-ium;1-propan-2-yl-3a,7a-dihydrobenzotriazole;2-propan-2-yl-1-benzofuran;3-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;2-propan-2-ylbenzotriazole;2-propan-2-yl-3,4-dihydropyrrolo[2,3-c]pyridine-5,7-dione;2-propan-2-ylimidazo[1,2-a]pyrimidine;1-propan-2-yl-4H-imidazo[1,2-a]quinazolin-5-one;2-propan-2-yl-1H-indene;2-propan-2-yl-3H-indole;2-propan-2-ylindolizine;2-propan-2-ylisoindole-1,3-dione;2-propan-2-yl-3H-isoindol-1-one;5-propan-2-yl-1,5,6,7-tetrahydrocyclopenta[f]indazole

C198H229N23O11S3 — CID 157467304

About 2,3-di(propan-2-yl)-1H-indene-4,7-dione;1-oxido-2-propan-2-ylindazol-1-ium;1-propan-2-yl-3a,7a-dihydrobenzotriazole;2-propan-2-yl-1-benzofuran;3-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;2-propan-2-ylbenzotriazole;2-propan-2-yl-3,4-dihydropyrrolo[2,3-c]pyridine-5,7-dione;2-propan-2-ylimidazo[1,2-a]pyrimidine;1-propan-2-yl-4H-imidazo[1,2-a]quinazolin-5-one;2-propan-2-yl-1H-indene;2-propan-2-yl-3H-indole;2-propan-2-ylindolizine;2-propan-2-ylisoindole-1,3-dione;2-propan-2-yl-3H-isoindol-1-one;5-propan-2-yl-1,5,6,7-tetrahydrocyclopenta[f]indazole

2,3-di(propan-2-yl)-1H-indene-4,7-dione;1-oxido-2-propan-2-ylindazol-1-ium;1-propan-2-yl-3a,7a-dihydrobenzotriazole;2-propan-2-yl-1-benzofuran;3-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;2-propan-2-ylbenzotriazole;2-propan-2-yl-3,4-dihydropyrrolo[2,3-c]pyridine-5,7-dione;2-propan-2-ylimidazo[1,2-a]pyrimidine;1-propan-2-yl-4H-imidazo[1,2-a]quinazolin-5-one;2-propan-2-yl-1H-indene;2-propan-2-yl-3H-indole;2-propan-2-ylindolizine;2-propan-2-ylisoindole-1,3-dione;2-propan-2-yl-3H-isoindol-1-one;5-propan-2-yl-1,5,6,7-tetrahydrocyclopenta[f]indazole (PubChem CID 157467304) has the molecular formula C198H229N23O11S3 and a molecular weight of 3203.36 g/mol. Its IUPAC name is 2,3-di(propan-2-yl)-1H-indene-4,7-dione;1-oxido-2-propan-2-ylindazol-1-ium;1-propan-2-yl-3a,7a-dihydrobenzotriazole;2-propan-2-yl-1-benzofuran;3-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;2-propan-2-ylbenzotriazole;2-propan-2-yl-3,4-dihydropyrrolo[2,3-c]pyridine-5,7-dione;2-propan-2-ylimidazo[1,2-a]pyrimidine;1-propan-2-yl-4H-imidazo[1,2-a]quinazolin-5-one;2-propan-2-yl-1H-indene;2-propan-2-yl-3H-indole;2-propan-2-ylindolizine;2-propan-2-ylisoindole-1,3-dione;2-propan-2-yl-3H-isoindol-1-one;5-propan-2-yl-1,5,6,7-tetrahydrocyclopenta[f]indazole.

Molecular Properties

• Compound Name: 2,3-di(propan-2-yl)-1H-indene-4,7-dione;1-oxido-2-propan-2-ylindazol-1-ium;1-propan-2-yl-3a,7a-dihydrobenzotriazole;2-propan-2-yl-1-benzofuran;3-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;2-propan-2-ylbenzotriazole;2-propan-2-yl-3,4-dihydropyrrolo[2,3-c]pyridine-5,7-dione;2-propan-2-ylimidazo[1,2-a]pyrimidine;1-propan-2-yl-4H-imidazo[1,2-a]quinazolin-5-one;2-propan-2-yl-1H-indene;2-propan-2-yl-3H-indole;2-propan-2-ylindolizine;2-propan-2-ylisoindole-1,3-dione;2-propan-2-yl-3H-isoindol-1-one;5-propan-2-yl-1,5,6,7-tetrahydrocyclopenta[f]indazole
• PubChem CID: 157467304
• Molecular Formula: C198H229N23O11S3
• Molecular Weight: 3203.36 g/mol
• Exact Mass: 3200.72
• IUPAC Name: 2,3-di(propan-2-yl)-1H-indene-4,7-dione;1-oxido-2-propan-2-ylindazol-1-ium;1-propan-2-yl-3a,7a-dihydrobenzotriazole;2-propan-2-yl-1-benzofuran;3-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;2-propan-2-ylbenzotriazole;2-propan-2-yl-3,4-dihydropyrrolo[2,3-c]pyridine-5,7-dione;2-propan-2-ylimidazo[1,2-a]pyrimidine;1-propan-2-yl-4H-imidazo[1,2-a]quinazolin-5-one;2-propan-2-yl-1H-indene;2-propan-2-yl-3H-indole;2-propan-2-ylindolizine;2-propan-2-ylisoindole-1,3-dione;2-propan-2-yl-3H-isoindol-1-one;5-propan-2-yl-1,5,6,7-tetrahydrocyclopenta[f]indazole
• SMILES: CC(C)C1=C(C(C)C)C2=C(C1)C(=O)C=CC2=O.CC(C)C1=Cc2ccccc2C1.CC(C)C1=NC2=C(CC(=O)NC2=O)C1.CC(C)C1=Nc2ccccc2C1.CC(C)C1CCc2cc3[nH]ncc3cc21.CC(C)N1C(=O)c2ccccc2C1=O.CC(C)N1Cc2ccccc2C1=O.CC(C)N1N=NC2C=CC=CC21.CC(C)c1cc2ccccc2o1.CC(C)c1cc2ccccc2s1.CC(C)c1cc2ccccn2c1.CC(C)c1cn2cccnc2n1.CC(C)c1cnc2[nH]c(=O)c3ccccc3n12.CC(C)c1coc2ccccc12.CC(C)c1csc2ccccc12.CC(C)c1nc2ccccc2s1.CC(C)n1cc2ccccc2[n+]1[O-].CC(C)n1nc2ccccc2n1
• InChI: InChI=1S/C15H18O2.C13H13N3O.C13H16N2.C12H14.C11H11NO2.C11H13NO.2C11H13N.2C11H12O.2C11H12S.C10H12N2O2.C10H12N2O.C10H11NS.C9H11N3.C9H13N3.C9H11N3/c1-8(2)10-7-11-12(16)5-6-13(17)15(11)14(10)9(3)4;1-8(2)11-7-14-13-15-12(17)9-5-3-4-6-10(9)16(11)13;1-8(2)11-4-3-9-6-13-10(5-12(9)11)7-14-15-13;1-9(2)12-7-10-5-3-4-6-11(10)8-12;1-7(2)12-10(13)8-5-3-4-6-9(8)11(12)14;1-8(2)12-7-9-5-3-4-6-10(9)11(12)13;1-9(2)10-7-11-5-3-4-6-12(11)8-10;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-8(2)10-7-12-11-6-4-3-5-9(10)11;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-8(2)10-7-12-11-6-4-3-5-9(10)11;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-5(2)7-3-6-4-8(13)12-10(14)9(6)11-7;1-8(2)11-7-9-5-3-4-6-10(9)12(11)13;1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-7(2)8-6-12-5-3-4-10-9(12)11-8;1-7(2)12-9-6-4-3-5-8(9)10-11-12;1-7(2)12-10-8-5-3-4-6-9(8)11-12/h5-6,8-9H,7H2,1-4H3;3-8H,1-2H3,(H,14,15,17);5-8,11H,3-4H2,1-2H3,(H,14,15);3-7,9H,8H2,1-2H3;3-7H,1-2H3;3-6,8H,7H2,1-2H3;3-9H,1-2H3;3-6,8H,7H2,1-2H3;4*3-8H,1-2H3;5H,3-4H2,1-2H3,(H,12,13,14);3-8H,1-2H3;2*3-7H,1-2H3;3-9H,1-2H3;3-7H,1-2H3
• InChIKey: BUQAFDUHUFHCKR-UHFFFAOYSA-N
• XLogP: 48.64
• TPSA: 405.87 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 31
• Rotatable Bonds: 19
• Heavy Atoms: 235
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3203.36
LogP ≤ 5	48.64
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,3-di(propan-2-yl)-1H-indene-4,7-dione;1-oxido-2-propan-2-ylindazol-1-ium;1-propan-2-yl-3a,7a-dihydrobenzotriazole;2-propan-2-yl-1-benzofuran;3-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;2-propan-2-ylbenzotriazole;2-propan-2-yl-3,4-dihydropyrrolo[2,3-c]pyridine-5,7-dione;2-propan-2-ylimidazo[1,2-a]pyrimidine;1-propan-2-yl-4H-imidazo[1,2-a]quinazolin-5-one;2-propan-2-yl-1H-indene;2-propan-2-yl-3H-indole;2-propan-2-ylindolizine;2-propan-2-ylisoindole-1,3-dione;2-propan-2-yl-3H-isoindol-1-one;5-propan-2-yl-1,5,6,7-tetrahydrocyclopenta[f]indazole?

The IUPAC name of 2,3-di(propan-2-yl)-1H-indene-4,7-dione;1-oxido-2-propan-2-ylindazol-1-ium;1-propan-2-yl-3a,7a-dihydrobenzotriazole;2-propan-2-yl-1-benzofuran;3-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;2-propan-2-ylbenzotriazole;2-propan-2-yl-3,4-dihydropyrrolo[2,3-c]pyridine-5,7-dione;2-propan-2-ylimidazo[1,2-a]pyrimidine;1-propan-2-yl-4H-imidazo[1,2-a]quinazolin-5-one;2-propan-2-yl-1H-indene;2-propan-2-yl-3H-indole;2-propan-2-ylindolizine;2-propan-2-ylisoindole-1,3-dione;2-propan-2-yl-3H-isoindol-1-one;5-propan-2-yl-1,5,6,7-tetrahydrocyclopenta[f]indazole (CID 157467304) is 2,3-di(propan-2-yl)-1H-indene-4,7-dione;1-oxido-2-propan-2-ylindazol-1-ium;1-propan-2-yl-3a,7a-dihydrobenzotriazole;2-propan-2-yl-1-benzofuran;3-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;2-propan-2-ylbenzotriazole;2-propan-2-yl-3,4-dihydropyrrolo[2,3-c]pyridine-5,7-dione;2-propan-2-ylimidazo[1,2-a]pyrimidine;1-propan-2-yl-4H-imidazo[1,2-a]quinazolin-5-one;2-propan-2-yl-1H-indene;2-propan-2-yl-3H-indole;2-propan-2-ylindolizine;2-propan-2-ylisoindole-1,3-dione;2-propan-2-yl-3H-isoindol-1-one;5-propan-2-yl-1,5,6,7-tetrahydrocyclopenta[f]indazole.

What is the SMILES notation for 2,3-di(propan-2-yl)-1H-indene-4,7-dione;1-oxido-2-propan-2-ylindazol-1-ium;1-propan-2-yl-3a,7a-dihydrobenzotriazole;2-propan-2-yl-1-benzofuran;3-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;2-propan-2-ylbenzotriazole;2-propan-2-yl-3,4-dihydropyrrolo[2,3-c]pyridine-5,7-dione;2-propan-2-ylimidazo[1,2-a]pyrimidine;1-propan-2-yl-4H-imidazo[1,2-a]quinazolin-5-one;2-propan-2-yl-1H-indene;2-propan-2-yl-3H-indole;2-propan-2-ylindolizine;2-propan-2-ylisoindole-1,3-dione;2-propan-2-yl-3H-isoindol-1-one;5-propan-2-yl-1,5,6,7-tetrahydrocyclopenta[f]indazole?

The canonical SMILES for 2,3-di(propan-2-yl)-1H-indene-4,7-dione;1-oxido-2-propan-2-ylindazol-1-ium;1-propan-2-yl-3a,7a-dihydrobenzotriazole;2-propan-2-yl-1-benzofuran;3-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;2-propan-2-ylbenzotriazole;2-propan-2-yl-3,4-dihydropyrrolo[2,3-c]pyridine-5,7-dione;2-propan-2-ylimidazo[1,2-a]pyrimidine;1-propan-2-yl-4H-imidazo[1,2-a]quinazolin-5-one;2-propan-2-yl-1H-indene;2-propan-2-yl-3H-indole;2-propan-2-ylindolizine;2-propan-2-ylisoindole-1,3-dione;2-propan-2-yl-3H-isoindol-1-one;5-propan-2-yl-1,5,6,7-tetrahydrocyclopenta[f]indazole is CC(C)C1=C(C(C)C)C2=C(C1)C(=O)C=CC2=O.CC(C)C1=Cc2ccccc2C1.CC(C)C1=NC2=C(CC(=O)NC2=O)C1.CC(C)C1=Nc2ccccc2C1.CC(C)C1CCc2cc3[nH]ncc3cc21.CC(C)N1C(=O)c2ccccc2C1=O.CC(C)N1Cc2ccccc2C1=O.CC(C)N1N=NC2C=CC=CC21.CC(C)c1cc2ccccc2o1.CC(C)c1cc2ccccc2s1.CC(C)c1cc2ccccn2c1.CC(C)c1cn2cccnc2n1.CC(C)c1cnc2[nH]c(=O)c3ccccc3n12.CC(C)c1coc2ccccc12.CC(C)c1csc2ccccc12.CC(C)c1nc2ccccc2s1.CC(C)n1cc2ccccc2[n+]1[O-].CC(C)n1nc2ccccc2n1.

What is the InChIKey of 2,3-di(propan-2-yl)-1H-indene-4,7-dione;1-oxido-2-propan-2-ylindazol-1-ium;1-propan-2-yl-3a,7a-dihydrobenzotriazole;2-propan-2-yl-1-benzofuran;3-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;2-propan-2-ylbenzotriazole;2-propan-2-yl-3,4-dihydropyrrolo[2,3-c]pyridine-5,7-dione;2-propan-2-ylimidazo[1,2-a]pyrimidine;1-propan-2-yl-4H-imidazo[1,2-a]quinazolin-5-one;2-propan-2-yl-1H-indene;2-propan-2-yl-3H-indole;2-propan-2-ylindolizine;2-propan-2-ylisoindole-1,3-dione;2-propan-2-yl-3H-isoindol-1-one;5-propan-2-yl-1,5,6,7-tetrahydrocyclopenta[f]indazole?

The InChIKey is BUQAFDUHUFHCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2.C13H13N3O.C13H16N2.C12H14.C11H11NO2.C11H13NO.2C11H13N.2C11H12O.2C11H12S.C10H12N2O2.C10H12N2O.C10H11NS.C9H11N3.C9H13N3.C9H11N3/c1-8(2)10-7-11-12(16)5-6-13(17)15(11)14(10)9(3)4;1-8(2)11-7-14-13-15-12(17)9-5-3-4-6-10(9)16(11)13;1-8(2)11-4-3-9-6-13-10(5-12(9)11)7-14-15-13;1-9(2)12-7-10-5-3-4-6-11(10)8-12;1-7(2)12-10(13)8-5-3-4-6-9(8)11(12)14;1-8(2)12-7-9-5-3-4-6-10(9)11(12)13;1-9(2)10-7-11-5-3-4-6-12(11)8-10;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-8(2)10-7-12-11-6-4-3-5-9(10)11;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-8(2)10-7-12-11-6-4-3-5-9(10)11;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-5(2)7-3-6-4-8(13)12-10(14)9(6)11-7;1-8(2)11-7-9-5-3-4-6-10(9)12(11)13;1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-7(2)8-6-12-5-3-4-10-9(12)11-8;1-7(2)12-9-6-4-3-5-8(9)10-11-12;1-7(2)12-10-8-5-3-4-6-9(8)11-12/h5-6,8-9H,7H2,1-4H3;3-8H,1-2H3,(H,14,15,17);5-8,11H,3-4H2,1-2H3,(H,14,15);3-7,9H,8H2,1-2H3;3-7H,1-2H3;3-6,8H,7H2,1-2H3;3-9H,1-2H3;3-6,8H,7H2,1-2H3;4*3-8H,1-2H3;5H,3-4H2,1-2H3,(H,12,13,14);3-8H,1-2H3;2*3-7H,1-2H3;3-9H,1-2H3;3-7H,1-2H3.

What are the key properties of 2,3-di(propan-2-yl)-1H-indene-4,7-dione;1-oxido-2-propan-2-ylindazol-1-ium;1-propan-2-yl-3a,7a-dihydrobenzotriazole;2-propan-2-yl-1-benzofuran;3-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;2-propan-2-ylbenzotriazole;2-propan-2-yl-3,4-dihydropyrrolo[2,3-c]pyridine-5,7-dione;2-propan-2-ylimidazo[1,2-a]pyrimidine;1-propan-2-yl-4H-imidazo[1,2-a]quinazolin-5-one;2-propan-2-yl-1H-indene;2-propan-2-yl-3H-indole;2-propan-2-ylindolizine;2-propan-2-ylisoindole-1,3-dione;2-propan-2-yl-3H-isoindol-1-one;5-propan-2-yl-1,5,6,7-tetrahydrocyclopenta[f]indazole?

2,3-di(propan-2-yl)-1H-indene-4,7-dione;1-oxido-2-propan-2-ylindazol-1-ium;1-propan-2-yl-3a,7a-dihydrobenzotriazole;2-propan-2-yl-1-benzofuran;3-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;2-propan-2-ylbenzotriazole;2-propan-2-yl-3,4-dihydropyrrolo[2,3-c]pyridine-5,7-dione;2-propan-2-ylimidazo[1,2-a]pyrimidine;1-propan-2-yl-4H-imidazo[1,2-a]quinazolin-5-one;2-propan-2-yl-1H-indene;2-propan-2-yl-3H-indole;2-propan-2-ylindolizine;2-propan-2-ylisoindole-1,3-dione;2-propan-2-yl-3H-isoindol-1-one;5-propan-2-yl-1,5,6,7-tetrahydrocyclopenta[f]indazole has a molecular weight of 3203.36 g/mol, XLogP of 48.64, 19 rotatable bonds, 3 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3-di(propan-2-yl)-1H-indene-4,7-dione;1-oxido-2-propan-2-ylindazol-1-ium;1-propan-2-yl-3a,7a-dihydrobenzotriazole;2-propan-2-yl-1-benzofuran;3-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;2-propan-2-ylbenzotriazole;2-propan-2-yl-3,4-dihydropyrrolo[2,3-c]pyridine-5,7-dione;2-propan-2-ylimidazo[1,2-a]pyrimidine;1-propan-2-yl-4H-imidazo[1,2-a]quinazolin-5-one;2-propan-2-yl-1H-indene;2-propan-2-yl-3H-indole;2-propan-2-ylindolizine;2-propan-2-ylisoindole-1,3-dione;2-propan-2-yl-3H-isoindol-1-one;5-propan-2-yl-1,5,6,7-tetrahydrocyclopenta[f]indazole is sourced from PubChem (CID 157467304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).