3-N,6-N-dinaphthalen-1-yl-3-N,6-N-diphenylpyrrolo[3,4-c]pyrrole-3,6-diamine;4,7-dinaphthalen-2-yl-[1,2,5]thiadiazolo[3,4-d]pyridazine;5-methyl-2-(4-methylphenyl)-7-(pyridin-2-ylmethylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine;1-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-[1,2,4]triazolo[3,4-b][1,3]benzothiazole;2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine

C108H78N24S4 — CID 157065470

About 3-N,6-N-dinaphthalen-1-yl-3-N,6-N-diphenylpyrrolo[3,4-c]pyrrole-3,6-diamine;4,7-dinaphthalen-2-yl-[1,2,5]thiadiazolo[3,4-d]pyridazine;5-methyl-2-(4-methylphenyl)-7-(pyridin-2-ylmethylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine;1-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-[1,2,4]triazolo[3,4-b][1,3]benzothiazole;2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine

3-N,6-N-dinaphthalen-1-yl-3-N,6-N-diphenylpyrrolo[3,4-c]pyrrole-3,6-diamine;4,7-dinaphthalen-2-yl-[1,2,5]thiadiazolo[3,4-d]pyridazine;5-methyl-2-(4-methylphenyl)-7-(pyridin-2-ylmethylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine;1-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-[1,2,4]triazolo[3,4-b][1,3]benzothiazole;2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 157065470) has the molecular formula C108H78N24S4 and a molecular weight of 1840.25 g/mol. Its IUPAC name is 3-N,6-N-dinaphthalen-1-yl-3-N,6-N-diphenylpyrrolo[3,4-c]pyrrole-3,6-diamine;4,7-dinaphthalen-2-yl-[1,2,5]thiadiazolo[3,4-d]pyridazine;5-methyl-2-(4-methylphenyl)-7-(pyridin-2-ylmethylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine;1-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-[1,2,4]triazolo[3,4-b][1,3]benzothiazole;2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

• Compound Name: 3-N,6-N-dinaphthalen-1-yl-3-N,6-N-diphenylpyrrolo[3,4-c]pyrrole-3,6-diamine;4,7-dinaphthalen-2-yl-[1,2,5]thiadiazolo[3,4-d]pyridazine;5-methyl-2-(4-methylphenyl)-7-(pyridin-2-ylmethylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine;1-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-[1,2,4]triazolo[3,4-b][1,3]benzothiazole;2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
• PubChem CID: 157065470
• Molecular Formula: C108H78N24S4
• Molecular Weight: 1840.25 g/mol
• Exact Mass: 1838.57
• IUPAC Name: 3-N,6-N-dinaphthalen-1-yl-3-N,6-N-diphenylpyrrolo[3,4-c]pyrrole-3,6-diamine;4,7-dinaphthalen-2-yl-[1,2,5]thiadiazolo[3,4-d]pyridazine;5-methyl-2-(4-methylphenyl)-7-(pyridin-2-ylmethylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine;1-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-[1,2,4]triazolo[3,4-b][1,3]benzothiazole;2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
• SMILES: C1=C2C(=CN=C2N(c2ccccc2)c2cccc3ccccc23)C(N(c2ccccc2)c2cccc3ccccc23)=N1.Cc1cc(C)n2nc(C)nc2n1.Cc1ccc(-c2nc3nc(C)cc(SCc4ccccn4)n3n2)cc1.c1ccc(-c2cc(Sc3nnc4sc5ccccc5n34)n3ncnc3n2)cc1.c1ccc2cc(-c3nnc(-c4ccc5ccccc5c4)c4nsnc34)ccc2c1
• InChI: InChI=1S/C38H26N4.C24H14N4S.C19H11N7S2.C19H17N5S.C8H10N4/c1-3-17-29(18-4-1)41(35-23-11-15-27-13-7-9-21-31(27)35)37-33-25-40-38(34(33)26-39-37)42(30-19-5-2-6-20-30)36-24-12-16-28-14-8-10-22-32(28)36;1-3-7-17-13-19(11-9-15(17)5-1)21-23-24(28-29-27-23)22(26-25-21)20-12-10-16-6-2-4-8-18(16)14-20;1-2-6-12(7-3-1)13-10-16(26-17(22-13)20-11-21-26)28-19-24-23-18-25(19)14-8-4-5-9-15(14)27-18;1-13-6-8-15(9-7-13)18-22-19-21-14(2)11-17(24(19)23-18)25-12-16-5-3-4-10-20-16;1-5-4-6(2)12-8(9-5)10-7(3)11-12/h1-26H;1-14H;1-11H;3-11H,12H2,1-2H3;4H,1-3H3
• InChIKey: ABVDBKZJIJGYOA-UHFFFAOYSA-N
• XLogP: 25.03
• TPSA: 255.08 Ų
• H-Bond Acceptors: 28
• Rotatable Bonds: 13
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1840.25
LogP ≤ 5	25.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 3-N,6-N-dinaphthalen-1-yl-3-N,6-N-diphenylpyrrolo[3,4-c]pyrrole-3,6-diamine;4,7-dinaphthalen-2-yl-[1,2,5]thiadiazolo[3,4-d]pyridazine;5-methyl-2-(4-methylphenyl)-7-(pyridin-2-ylmethylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine;1-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-[1,2,4]triazolo[3,4-b][1,3]benzothiazole;2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine?

The IUPAC name of 3-N,6-N-dinaphthalen-1-yl-3-N,6-N-diphenylpyrrolo[3,4-c]pyrrole-3,6-diamine;4,7-dinaphthalen-2-yl-[1,2,5]thiadiazolo[3,4-d]pyridazine;5-methyl-2-(4-methylphenyl)-7-(pyridin-2-ylmethylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine;1-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-[1,2,4]triazolo[3,4-b][1,3]benzothiazole;2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 157065470) is 3-N,6-N-dinaphthalen-1-yl-3-N,6-N-diphenylpyrrolo[3,4-c]pyrrole-3,6-diamine;4,7-dinaphthalen-2-yl-[1,2,5]thiadiazolo[3,4-d]pyridazine;5-methyl-2-(4-methylphenyl)-7-(pyridin-2-ylmethylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine;1-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-[1,2,4]triazolo[3,4-b][1,3]benzothiazole;2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine.

What is the SMILES notation for 3-N,6-N-dinaphthalen-1-yl-3-N,6-N-diphenylpyrrolo[3,4-c]pyrrole-3,6-diamine;4,7-dinaphthalen-2-yl-[1,2,5]thiadiazolo[3,4-d]pyridazine;5-methyl-2-(4-methylphenyl)-7-(pyridin-2-ylmethylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine;1-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-[1,2,4]triazolo[3,4-b][1,3]benzothiazole;2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine?

The canonical SMILES for 3-N,6-N-dinaphthalen-1-yl-3-N,6-N-diphenylpyrrolo[3,4-c]pyrrole-3,6-diamine;4,7-dinaphthalen-2-yl-[1,2,5]thiadiazolo[3,4-d]pyridazine;5-methyl-2-(4-methylphenyl)-7-(pyridin-2-ylmethylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine;1-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-[1,2,4]triazolo[3,4-b][1,3]benzothiazole;2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine is C1=C2C(=CN=C2N(c2ccccc2)c2cccc3ccccc23)C(N(c2ccccc2)c2cccc3ccccc23)=N1.Cc1cc(C)n2nc(C)nc2n1.Cc1ccc(-c2nc3nc(C)cc(SCc4ccccn4)n3n2)cc1.c1ccc(-c2cc(Sc3nnc4sc5ccccc5n34)n3ncnc3n2)cc1.c1ccc2cc(-c3nnc(-c4ccc5ccccc5c4)c4nsnc34)ccc2c1.

What is the InChIKey of 3-N,6-N-dinaphthalen-1-yl-3-N,6-N-diphenylpyrrolo[3,4-c]pyrrole-3,6-diamine;4,7-dinaphthalen-2-yl-[1,2,5]thiadiazolo[3,4-d]pyridazine;5-methyl-2-(4-methylphenyl)-7-(pyridin-2-ylmethylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine;1-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-[1,2,4]triazolo[3,4-b][1,3]benzothiazole;2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine?

The InChIKey is ABVDBKZJIJGYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H26N4.C24H14N4S.C19H11N7S2.C19H17N5S.C8H10N4/c1-3-17-29(18-4-1)41(35-23-11-15-27-13-7-9-21-31(27)35)37-33-25-40-38(34(33)26-39-37)42(30-19-5-2-6-20-30)36-24-12-16-28-14-8-10-22-32(28)36;1-3-7-17-13-19(11-9-15(17)5-1)21-23-24(28-29-27-23)22(26-25-21)20-12-10-16-6-2-4-8-18(16)14-20;1-2-6-12(7-3-1)13-10-16(26-17(22-13)20-11-21-26)28-19-24-23-18-25(19)14-8-4-5-9-15(14)27-18;1-13-6-8-15(9-7-13)18-22-19-21-14(2)11-17(24(19)23-18)25-12-16-5-3-4-10-20-16;1-5-4-6(2)12-8(9-5)10-7(3)11-12/h1-26H;1-14H;1-11H;3-11H,12H2,1-2H3;4H,1-3H3.

What are the key properties of 3-N,6-N-dinaphthalen-1-yl-3-N,6-N-diphenylpyrrolo[3,4-c]pyrrole-3,6-diamine;4,7-dinaphthalen-2-yl-[1,2,5]thiadiazolo[3,4-d]pyridazine;5-methyl-2-(4-methylphenyl)-7-(pyridin-2-ylmethylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine;1-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-[1,2,4]triazolo[3,4-b][1,3]benzothiazole;2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine?

3-N,6-N-dinaphthalen-1-yl-3-N,6-N-diphenylpyrrolo[3,4-c]pyrrole-3,6-diamine;4,7-dinaphthalen-2-yl-[1,2,5]thiadiazolo[3,4-d]pyridazine;5-methyl-2-(4-methylphenyl)-7-(pyridin-2-ylmethylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine;1-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-[1,2,4]triazolo[3,4-b][1,3]benzothiazole;2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 1840.25 g/mol, XLogP of 25.03, 13 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 3-N,6-N-dinaphthalen-1-yl-3-N,6-N-diphenylpyrrolo[3,4-c]pyrrole-3,6-diamine;4,7-dinaphthalen-2-yl-[1,2,5]thiadiazolo[3,4-d]pyridazine;5-methyl-2-(4-methylphenyl)-7-(pyridin-2-ylmethylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine;1-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-[1,2,4]triazolo[3,4-b][1,3]benzothiazole;2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 157065470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).