acridine;benzo[h]quinoline;1,3-benzothiazole;1,2-di(propan-2-yl)imidazole;ethane;3H-imidazo[4,5-c]pyridine;2-methyl-1H-imidazole;phenanthridine;2-propan-2-ylchromen-4-one;2-propan-2-yl-1H-indole;3-propan-2-yl-1H-indole;3-propan-2-yl-3H-pyridine-2,6-dione;1-propan-2-ylpyrrole;2-propan-2-ylquinoline;3-propan-2-ylquinoline;bis(4-propan-2-ylquinoline);1,3,7-tri(propan-2-yl)-4,5-dihydropurine-2,6-dione

C206H285N23O6S — CID 161013428

About acridine;benzo[h]quinoline;1,3-benzothiazole;1,2-di(propan-2-yl)imidazole;ethane;3H-imidazo[4,5-c]pyridine;2-methyl-1H-imidazole;phenanthridine;2-propan-2-ylchromen-4-one;2-propan-2-yl-1H-indole;3-propan-2-yl-1H-indole;3-propan-2-yl-3H-pyridine-2,6-dione;1-propan-2-ylpyrrole;2-propan-2-ylquinoline;3-propan-2-ylquinoline;bis(4-propan-2-ylquinoline);1,3,7-tri(propan-2-yl)-4,5-dihydropurine-2,6-dione

acridine;benzo[h]quinoline;1,3-benzothiazole;1,2-di(propan-2-yl)imidazole;ethane;3H-imidazo[4,5-c]pyridine;2-methyl-1H-imidazole;phenanthridine;2-propan-2-ylchromen-4-one;2-propan-2-yl-1H-indole;3-propan-2-yl-1H-indole;3-propan-2-yl-3H-pyridine-2,6-dione;1-propan-2-ylpyrrole;2-propan-2-ylquinoline;3-propan-2-ylquinoline;bis(4-propan-2-ylquinoline);1,3,7-tri(propan-2-yl)-4,5-dihydropurine-2,6-dione (PubChem CID 161013428) has the molecular formula C206H285N23O6S and a molecular weight of 3211.77 g/mol. Its IUPAC name is acridine;benzo[h]quinoline;1,3-benzothiazole;1,2-di(propan-2-yl)imidazole;ethane;3H-imidazo[4,5-c]pyridine;2-methyl-1H-imidazole;phenanthridine;2-propan-2-ylchromen-4-one;2-propan-2-yl-1H-indole;3-propan-2-yl-1H-indole;3-propan-2-yl-3H-pyridine-2,6-dione;1-propan-2-ylpyrrole;2-propan-2-ylquinoline;3-propan-2-ylquinoline;bis(4-propan-2-ylquinoline);1,3,7-tri(propan-2-yl)-4,5-dihydropurine-2,6-dione.

Molecular Properties

• Compound Name: acridine;benzo[h]quinoline;1,3-benzothiazole;1,2-di(propan-2-yl)imidazole;ethane;3H-imidazo[4,5-c]pyridine;2-methyl-1H-imidazole;phenanthridine;2-propan-2-ylchromen-4-one;2-propan-2-yl-1H-indole;3-propan-2-yl-1H-indole;3-propan-2-yl-3H-pyridine-2,6-dione;1-propan-2-ylpyrrole;2-propan-2-ylquinoline;3-propan-2-ylquinoline;bis(4-propan-2-ylquinoline);1,3,7-tri(propan-2-yl)-4,5-dihydropurine-2,6-dione
• PubChem CID: 161013428
• Molecular Formula: C206H285N23O6S
• Molecular Weight: 3211.77 g/mol
• Exact Mass: 3209.24
• IUPAC Name: acridine;benzo[h]quinoline;1,3-benzothiazole;1,2-di(propan-2-yl)imidazole;ethane;3H-imidazo[4,5-c]pyridine;2-methyl-1H-imidazole;phenanthridine;2-propan-2-ylchromen-4-one;2-propan-2-yl-1H-indole;3-propan-2-yl-1H-indole;3-propan-2-yl-3H-pyridine-2,6-dione;1-propan-2-ylpyrrole;2-propan-2-ylquinoline;3-propan-2-ylquinoline;bis(4-propan-2-ylquinoline);1,3,7-tri(propan-2-yl)-4,5-dihydropurine-2,6-dione
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C1C=CC(=O)NC1=O.CC(C)N1C(=O)C2C(N=CN2C(C)C)N(C(C)C)C1=O.CC(C)c1c[nH]c2ccccc12.CC(C)c1cc(=O)c2ccccc2o1.CC(C)c1cc2ccccc2[nH]1.CC(C)c1ccc2ccccc2n1.CC(C)c1ccnc2ccccc12.CC(C)c1ccnc2ccccc12.CC(C)c1cnc2ccccc2c1.CC(C)c1nccn1C(C)C.CC(C)n1cccc1.Cc1ncc[nH]1.c1cc2nc[nH]c2cn1.c1ccc2c(c1)ccc1cccnc12.c1ccc2c(c1)cnc1ccccc12.c1ccc2nc3ccccc3cc2c1.c1ccc2scnc2c1
• InChI: InChI=1S/C14H24N4O2.3C13H9N.4C12H13N.C12H12O2.2C11H13N.C9H16N2.C8H11NO2.C7H5NS.C7H11N.C6H5N3.C4H6N2.15C2H6/c1-8(2)16-7-15-12-11(16)13(19)18(10(5)6)14(20)17(12)9(3)4;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;1-2-6-11-10(5-1)9-14-13-8-4-3-7-12(11)13;1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)12;1-9(2)11-7-10-5-3-4-6-12(10)13-8-11;2*1-9(2)10-7-8-13-12-6-4-3-5-11(10)12;1-9(2)11-8-7-10-5-3-4-6-12(10)13-11;1-8(2)12-7-10(13)9-5-3-4-6-11(9)14-12;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;1-7(2)9-10-5-6-11(9)8(3)4;1-5(2)6-3-4-7(10)9-8(6)11;1-2-4-7-6(3-1)8-5-9-7;1-7(2)8-5-3-4-6-8;1-2-7-3-6-5(1)8-4-9-6;1-4-5-2-3-6-4;15*1-2/h7-12H,1-6H3;3*1-9H;4*3-9H,1-2H3;3-8H,1-2H3;2*3-8,12H,1-2H3;5-8H,1-4H3;3-6H,1-2H3,(H,9,10,11);1-5H;3-7H,1-2H3;1-4H,(H,8,9);2-3H,1H3,(H,5,6);15*1-2H3
• InChIKey: TXKJCNWFRMITCD-UHFFFAOYSA-N
• XLogP: 59.10
• TPSA: 360.30 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 23
• Rotatable Bonds: 14
• Heavy Atoms: 236
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3211.77
LogP ≤ 5	59.10
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', '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;benzo[h]quinoline;1,3-benzothiazole;1,2-di(propan-2-yl)imidazole;ethane;3H-imidazo[4,5-c]pyridine;2-methyl-1H-imidazole;phenanthridine;2-propan-2-ylchromen-4-one;2-propan-2-yl-1H-indole;3-propan-2-yl-1H-indole;3-propan-2-yl-3H-pyridine-2,6-dione;1-propan-2-ylpyrrole;2-propan-2-ylquinoline;3-propan-2-ylquinoline;bis(4-propan-2-ylquinoline);1,3,7-tri(propan-2-yl)-4,5-dihydropurine-2,6-dione?

The IUPAC name of acridine;benzo[h]quinoline;1,3-benzothiazole;1,2-di(propan-2-yl)imidazole;ethane;3H-imidazo[4,5-c]pyridine;2-methyl-1H-imidazole;phenanthridine;2-propan-2-ylchromen-4-one;2-propan-2-yl-1H-indole;3-propan-2-yl-1H-indole;3-propan-2-yl-3H-pyridine-2,6-dione;1-propan-2-ylpyrrole;2-propan-2-ylquinoline;3-propan-2-ylquinoline;bis(4-propan-2-ylquinoline);1,3,7-tri(propan-2-yl)-4,5-dihydropurine-2,6-dione (CID 161013428) is acridine;benzo[h]quinoline;1,3-benzothiazole;1,2-di(propan-2-yl)imidazole;ethane;3H-imidazo[4,5-c]pyridine;2-methyl-1H-imidazole;phenanthridine;2-propan-2-ylchromen-4-one;2-propan-2-yl-1H-indole;3-propan-2-yl-1H-indole;3-propan-2-yl-3H-pyridine-2,6-dione;1-propan-2-ylpyrrole;2-propan-2-ylquinoline;3-propan-2-ylquinoline;bis(4-propan-2-ylquinoline);1,3,7-tri(propan-2-yl)-4,5-dihydropurine-2,6-dione.

What is the SMILES notation for acridine;benzo[h]quinoline;1,3-benzothiazole;1,2-di(propan-2-yl)imidazole;ethane;3H-imidazo[4,5-c]pyridine;2-methyl-1H-imidazole;phenanthridine;2-propan-2-ylchromen-4-one;2-propan-2-yl-1H-indole;3-propan-2-yl-1H-indole;3-propan-2-yl-3H-pyridine-2,6-dione;1-propan-2-ylpyrrole;2-propan-2-ylquinoline;3-propan-2-ylquinoline;bis(4-propan-2-ylquinoline);1,3,7-tri(propan-2-yl)-4,5-dihydropurine-2,6-dione?

The canonical SMILES for acridine;benzo[h]quinoline;1,3-benzothiazole;1,2-di(propan-2-yl)imidazole;ethane;3H-imidazo[4,5-c]pyridine;2-methyl-1H-imidazole;phenanthridine;2-propan-2-ylchromen-4-one;2-propan-2-yl-1H-indole;3-propan-2-yl-1H-indole;3-propan-2-yl-3H-pyridine-2,6-dione;1-propan-2-ylpyrrole;2-propan-2-ylquinoline;3-propan-2-ylquinoline;bis(4-propan-2-ylquinoline);1,3,7-tri(propan-2-yl)-4,5-dihydropurine-2,6-dione is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C1C=CC(=O)NC1=O.CC(C)N1C(=O)C2C(N=CN2C(C)C)N(C(C)C)C1=O.CC(C)c1c[nH]c2ccccc12.CC(C)c1cc(=O)c2ccccc2o1.CC(C)c1cc2ccccc2[nH]1.CC(C)c1ccc2ccccc2n1.CC(C)c1ccnc2ccccc12.CC(C)c1ccnc2ccccc12.CC(C)c1cnc2ccccc2c1.CC(C)c1nccn1C(C)C.CC(C)n1cccc1.Cc1ncc[nH]1.c1cc2nc[nH]c2cn1.c1ccc2c(c1)ccc1cccnc12.c1ccc2c(c1)cnc1ccccc12.c1ccc2nc3ccccc3cc2c1.c1ccc2scnc2c1.

What is the InChIKey of acridine;benzo[h]quinoline;1,3-benzothiazole;1,2-di(propan-2-yl)imidazole;ethane;3H-imidazo[4,5-c]pyridine;2-methyl-1H-imidazole;phenanthridine;2-propan-2-ylchromen-4-one;2-propan-2-yl-1H-indole;3-propan-2-yl-1H-indole;3-propan-2-yl-3H-pyridine-2,6-dione;1-propan-2-ylpyrrole;2-propan-2-ylquinoline;3-propan-2-ylquinoline;bis(4-propan-2-ylquinoline);1,3,7-tri(propan-2-yl)-4,5-dihydropurine-2,6-dione?

The InChIKey is TXKJCNWFRMITCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2.3C13H9N.4C12H13N.C12H12O2.2C11H13N.C9H16N2.C8H11NO2.C7H5NS.C7H11N.C6H5N3.C4H6N2.15C2H6/c1-8(2)16-7-15-12-11(16)13(19)18(10(5)6)14(20)17(12)9(3)4;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;1-2-6-11-10(5-1)9-14-13-8-4-3-7-12(11)13;1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)12;1-9(2)11-7-10-5-3-4-6-12(10)13-8-11;2*1-9(2)10-7-8-13-12-6-4-3-5-11(10)12;1-9(2)11-8-7-10-5-3-4-6-12(10)13-11;1-8(2)12-7-10(13)9-5-3-4-6-11(9)14-12;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;1-7(2)9-10-5-6-11(9)8(3)4;1-5(2)6-3-4-7(10)9-8(6)11;1-2-4-7-6(3-1)8-5-9-7;1-7(2)8-5-3-4-6-8;1-2-7-3-6-5(1)8-4-9-6;1-4-5-2-3-6-4;15*1-2/h7-12H,1-6H3;3*1-9H;4*3-9H,1-2H3;3-8H,1-2H3;2*3-8,12H,1-2H3;5-8H,1-4H3;3-6H,1-2H3,(H,9,10,11);1-5H;3-7H,1-2H3;1-4H,(H,8,9);2-3H,1H3,(H,5,6);15*1-2H3.

What are the key properties of acridine;benzo[h]quinoline;1,3-benzothiazole;1,2-di(propan-2-yl)imidazole;ethane;3H-imidazo[4,5-c]pyridine;2-methyl-1H-imidazole;phenanthridine;2-propan-2-ylchromen-4-one;2-propan-2-yl-1H-indole;3-propan-2-yl-1H-indole;3-propan-2-yl-3H-pyridine-2,6-dione;1-propan-2-ylpyrrole;2-propan-2-ylquinoline;3-propan-2-ylquinoline;bis(4-propan-2-ylquinoline);1,3,7-tri(propan-2-yl)-4,5-dihydropurine-2,6-dione?

acridine;benzo[h]quinoline;1,3-benzothiazole;1,2-di(propan-2-yl)imidazole;ethane;3H-imidazo[4,5-c]pyridine;2-methyl-1H-imidazole;phenanthridine;2-propan-2-ylchromen-4-one;2-propan-2-yl-1H-indole;3-propan-2-yl-1H-indole;3-propan-2-yl-3H-pyridine-2,6-dione;1-propan-2-ylpyrrole;2-propan-2-ylquinoline;3-propan-2-ylquinoline;bis(4-propan-2-ylquinoline);1,3,7-tri(propan-2-yl)-4,5-dihydropurine-2,6-dione has a molecular weight of 3211.77 g/mol, XLogP of 59.10, 14 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for acridine;benzo[h]quinoline;1,3-benzothiazole;1,2-di(propan-2-yl)imidazole;ethane;3H-imidazo[4,5-c]pyridine;2-methyl-1H-imidazole;phenanthridine;2-propan-2-ylchromen-4-one;2-propan-2-yl-1H-indole;3-propan-2-yl-1H-indole;3-propan-2-yl-3H-pyridine-2,6-dione;1-propan-2-ylpyrrole;2-propan-2-ylquinoline;3-propan-2-ylquinoline;bis(4-propan-2-ylquinoline);1,3,7-tri(propan-2-yl)-4,5-dihydropurine-2,6-dione is sourced from PubChem (CID 161013428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).