acridine;1,3-benzodioxole;dibenzofuran;dibenzothiophene;tetradecakis(2,2-dimethylpropane);imidazo[1,2-b]pyridazine;1-methyl-3,4-dihydro-2H-quinoline;10-methylphenothiazine;9-methylpurine;1,10-phenanthroline;phenazine;bis(pteridine);[1,2,4]triazolo[1,5-a]pyrimidine;[1,2,4]triazolo[1,5-c]pyrimidine

C195H266N30O3S2 — CID 158206445

About acridine;1,3-benzodioxole;dibenzofuran;dibenzothiophene;tetradecakis(2,2-dimethylpropane);imidazo[1,2-b]pyridazine;1-methyl-3,4-dihydro-2H-quinoline;10-methylphenothiazine;9-methylpurine;1,10-phenanthroline;phenazine;bis(pteridine);[1,2,4]triazolo[1,5-a]pyrimidine;[1,2,4]triazolo[1,5-c]pyrimidine

acridine;1,3-benzodioxole;dibenzofuran;dibenzothiophene;tetradecakis(2,2-dimethylpropane);imidazo[1,2-b]pyridazine;1-methyl-3,4-dihydro-2H-quinoline;10-methylphenothiazine;9-methylpurine;1,10-phenanthroline;phenazine;bis(pteridine);[1,2,4]triazolo[1,5-a]pyrimidine;[1,2,4]triazolo[1,5-c]pyrimidine (PubChem CID 158206445) has the molecular formula C195H266N30O3S2 and a molecular weight of 3142.61 g/mol. Its IUPAC name is acridine;1,3-benzodioxole;dibenzofuran;dibenzothiophene;tetradecakis(2,2-dimethylpropane);imidazo[1,2-b]pyridazine;1-methyl-3,4-dihydro-2H-quinoline;10-methylphenothiazine;9-methylpurine;1,10-phenanthroline;phenazine;bis(pteridine);[1,2,4]triazolo[1,5-a]pyrimidine;[1,2,4]triazolo[1,5-c]pyrimidine.

Molecular Properties

• Compound Name: acridine;1,3-benzodioxole;dibenzofuran;dibenzothiophene;tetradecakis(2,2-dimethylpropane);imidazo[1,2-b]pyridazine;1-methyl-3,4-dihydro-2H-quinoline;10-methylphenothiazine;9-methylpurine;1,10-phenanthroline;phenazine;bis(pteridine);[1,2,4]triazolo[1,5-a]pyrimidine;[1,2,4]triazolo[1,5-c]pyrimidine
• PubChem CID: 158206445
• Molecular Formula: C195H266N30O3S2
• Molecular Weight: 3142.61 g/mol
• Exact Mass: 3140.10
• IUPAC Name: acridine;1,3-benzodioxole;dibenzofuran;dibenzothiophene;tetradecakis(2,2-dimethylpropane);imidazo[1,2-b]pyridazine;1-methyl-3,4-dihydro-2H-quinoline;10-methylphenothiazine;9-methylpurine;1,10-phenanthroline;phenazine;bis(pteridine);[1,2,4]triazolo[1,5-a]pyrimidine;[1,2,4]triazolo[1,5-c]pyrimidine
• SMILES: CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CN1CCCc2ccccc21.CN1c2ccccc2Sc2ccccc21.Cn1cnc2cncnc21.c1cc2ncnn2cn1.c1ccc2c(c1)OCO2.c1ccc2c(c1)oc1ccccc12.c1ccc2c(c1)sc1ccccc12.c1ccc2nc3ccccc3cc2c1.c1ccc2nc3ccccc3nc2c1.c1cnc2c(c1)ccc1cccnc12.c1cnc2ncncc2n1.c1cnc2ncncc2n1.c1cnc2ncnn2c1.c1cnn2ccnc2c1
• InChI: InChI=1S/C13H11NS.C13H9N.2C12H8N2.C12H8O.C12H8S.C10H13N.C7H6O2.C6H6N4.2C6H4N4.C6H5N3.2C5H4N4.14C5H12/c1-14-10-6-2-4-8-12(10)15-13-9-5-3-7-11(13)14;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10;2*1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-11-8-4-6-9-5-2-3-7-10(9)11;1-2-4-7-6(3-1)8-5-9-7;1-10-4-9-5-2-7-3-8-6(5)10;2*1-2-9-6-5(8-1)3-7-4-10-6;1-2-6-7-4-5-9(6)8-3-1;1-2-6-4-9-5(1)7-3-8-9;1-2-6-5-7-4-8-9(5)3-1;14*1-5(2,3)4/h2-9H,1H3;1-9H;2*1-8H;2*1-8H;2-3,5,7H,4,6,8H2,1H3;1-4H,5H2;2-4H,1H3;2*1-4H;1-5H;2*1-4H;14*1-4H3
• InChIKey: GBOAIWDZDYHJJM-UHFFFAOYSA-N
• XLogP: 54.91
• TPSA: 365.60 Ų
• H-Bond Acceptors: 35
• Heavy Atoms: 230
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3142.61
LogP ≤ 5	54.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het_thio_666_A(13)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of acridine;1,3-benzodioxole;dibenzofuran;dibenzothiophene;tetradecakis(2,2-dimethylpropane);imidazo[1,2-b]pyridazine;1-methyl-3,4-dihydro-2H-quinoline;10-methylphenothiazine;9-methylpurine;1,10-phenanthroline;phenazine;bis(pteridine);[1,2,4]triazolo[1,5-a]pyrimidine;[1,2,4]triazolo[1,5-c]pyrimidine?

The IUPAC name of acridine;1,3-benzodioxole;dibenzofuran;dibenzothiophene;tetradecakis(2,2-dimethylpropane);imidazo[1,2-b]pyridazine;1-methyl-3,4-dihydro-2H-quinoline;10-methylphenothiazine;9-methylpurine;1,10-phenanthroline;phenazine;bis(pteridine);[1,2,4]triazolo[1,5-a]pyrimidine;[1,2,4]triazolo[1,5-c]pyrimidine (CID 158206445) is acridine;1,3-benzodioxole;dibenzofuran;dibenzothiophene;tetradecakis(2,2-dimethylpropane);imidazo[1,2-b]pyridazine;1-methyl-3,4-dihydro-2H-quinoline;10-methylphenothiazine;9-methylpurine;1,10-phenanthroline;phenazine;bis(pteridine);[1,2,4]triazolo[1,5-a]pyrimidine;[1,2,4]triazolo[1,5-c]pyrimidine.

What is the SMILES notation for acridine;1,3-benzodioxole;dibenzofuran;dibenzothiophene;tetradecakis(2,2-dimethylpropane);imidazo[1,2-b]pyridazine;1-methyl-3,4-dihydro-2H-quinoline;10-methylphenothiazine;9-methylpurine;1,10-phenanthroline;phenazine;bis(pteridine);[1,2,4]triazolo[1,5-a]pyrimidine;[1,2,4]triazolo[1,5-c]pyrimidine?

The canonical SMILES for acridine;1,3-benzodioxole;dibenzofuran;dibenzothiophene;tetradecakis(2,2-dimethylpropane);imidazo[1,2-b]pyridazine;1-methyl-3,4-dihydro-2H-quinoline;10-methylphenothiazine;9-methylpurine;1,10-phenanthroline;phenazine;bis(pteridine);[1,2,4]triazolo[1,5-a]pyrimidine;[1,2,4]triazolo[1,5-c]pyrimidine is CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CN1CCCc2ccccc21.CN1c2ccccc2Sc2ccccc21.Cn1cnc2cncnc21.c1cc2ncnn2cn1.c1ccc2c(c1)OCO2.c1ccc2c(c1)oc1ccccc12.c1ccc2c(c1)sc1ccccc12.c1ccc2nc3ccccc3cc2c1.c1ccc2nc3ccccc3nc2c1.c1cnc2c(c1)ccc1cccnc12.c1cnc2ncncc2n1.c1cnc2ncncc2n1.c1cnc2ncnn2c1.c1cnn2ccnc2c1.

What is the InChIKey of acridine;1,3-benzodioxole;dibenzofuran;dibenzothiophene;tetradecakis(2,2-dimethylpropane);imidazo[1,2-b]pyridazine;1-methyl-3,4-dihydro-2H-quinoline;10-methylphenothiazine;9-methylpurine;1,10-phenanthroline;phenazine;bis(pteridine);[1,2,4]triazolo[1,5-a]pyrimidine;[1,2,4]triazolo[1,5-c]pyrimidine?

The InChIKey is GBOAIWDZDYHJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NS.C13H9N.2C12H8N2.C12H8O.C12H8S.C10H13N.C7H6O2.C6H6N4.2C6H4N4.C6H5N3.2C5H4N4.14C5H12/c1-14-10-6-2-4-8-12(10)15-13-9-5-3-7-11(13)14;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10;2*1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-11-8-4-6-9-5-2-3-7-10(9)11;1-2-4-7-6(3-1)8-5-9-7;1-10-4-9-5-2-7-3-8-6(5)10;2*1-2-9-6-5(8-1)3-7-4-10-6;1-2-6-7-4-5-9(6)8-3-1;1-2-6-4-9-5(1)7-3-8-9;1-2-6-5-7-4-8-9(5)3-1;14*1-5(2,3)4/h2-9H,1H3;1-9H;2*1-8H;2*1-8H;2-3,5,7H,4,6,8H2,1H3;1-4H,5H2;2-4H,1H3;2*1-4H;1-5H;2*1-4H;14*1-4H3.

What are the key properties of acridine;1,3-benzodioxole;dibenzofuran;dibenzothiophene;tetradecakis(2,2-dimethylpropane);imidazo[1,2-b]pyridazine;1-methyl-3,4-dihydro-2H-quinoline;10-methylphenothiazine;9-methylpurine;1,10-phenanthroline;phenazine;bis(pteridine);[1,2,4]triazolo[1,5-a]pyrimidine;[1,2,4]triazolo[1,5-c]pyrimidine?

acridine;1,3-benzodioxole;dibenzofuran;dibenzothiophene;tetradecakis(2,2-dimethylpropane);imidazo[1,2-b]pyridazine;1-methyl-3,4-dihydro-2H-quinoline;10-methylphenothiazine;9-methylpurine;1,10-phenanthroline;phenazine;bis(pteridine);[1,2,4]triazolo[1,5-a]pyrimidine;[1,2,4]triazolo[1,5-c]pyrimidine has a molecular weight of 3142.61 g/mol, XLogP of 54.91, 0 rotatable bonds, 0 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for acridine;1,3-benzodioxole;dibenzofuran;dibenzothiophene;tetradecakis(2,2-dimethylpropane);imidazo[1,2-b]pyridazine;1-methyl-3,4-dihydro-2H-quinoline;10-methylphenothiazine;9-methylpurine;1,10-phenanthroline;phenazine;bis(pteridine);[1,2,4]triazolo[1,5-a]pyrimidine;[1,2,4]triazolo[1,5-c]pyrimidine is sourced from PubChem (CID 158206445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).