6-[[4,7-bis[[6-carboxy-4-(2,4-dimethylphenyl)-2-pyridinyl]methyl]-1,4,7-triazonan-1-yl]methyl]-4-(2,4-dimethylphenyl)pyridine-2-carboxylic acid;6-[[4,7-bis[[6-carboxy-4-(4-methoxy-2-methylphenyl)-2-pyridinyl]methyl]-1,4,7-triazonan-1-yl]methyl]-4-(2,4-dimethylphenyl)pyridine-2-carboxylic acid;6-[[4,7-bis[[6-carboxy-4-(2,4,6-trimethylphenyl)-2-pyridinyl]methyl]-1,4,7-triazonan-1-yl]methyl]-4-(2,4,6-trimethylphenyl)pyridine-2-carboxylic acid;dysprosium;terbium

C156H168Dy2N18O20Tb — CID 160582467

About 6-[[4,7-bis[[6-carboxy-4-(2,4-dimethylphenyl)-2-pyridinyl]methyl]-1,4,7-triazonan-1-yl]methyl]-4-(2,4-dimethylphenyl)pyridine-2-carboxylic acid;6-[[4,7-bis[[6-carboxy-4-(4-methoxy-2-methylphenyl)-2-pyridinyl]methyl]-1,4,7-triazonan-1-yl]methyl]-4-(2,4-dimethylphenyl)pyridine-2-carboxylic acid;6-[[4,7-bis[[6-carboxy-4-(2,4,6-trimethylphenyl)-2-pyridinyl]methyl]-1,4,7-triazonan-1-yl]methyl]-4-(2,4,6-trimethylphenyl)pyridine-2-carboxylic acid;dysprosium;terbium

6-[[4,7-bis[[6-carboxy-4-(2,4-dimethylphenyl)-2-pyridinyl]methyl]-1,4,7-triazonan-1-yl]methyl]-4-(2,4-dimethylphenyl)pyridine-2-carboxylic acid;6-[[4,7-bis[[6-carboxy-4-(4-methoxy-2-methylphenyl)-2-pyridinyl]methyl]-1,4,7-triazonan-1-yl]methyl]-4-(2,4-dimethylphenyl)pyridine-2-carboxylic acid;6-[[4,7-bis[[6-carboxy-4-(2,4,6-trimethylphenyl)-2-pyridinyl]methyl]-1,4,7-triazonan-1-yl]methyl]-4-(2,4,6-trimethylphenyl)pyridine-2-carboxylic acid;dysprosium;terbium (PubChem CID 160582467) has the molecular formula C156H168Dy2N18O20Tb and a molecular weight of 3099.09 g/mol. Its IUPAC name is 6-[[4,7-bis[[6-carboxy-4-(2,4-dimethylphenyl)-2-pyridinyl]methyl]-1,4,7-triazonan-1-yl]methyl]-4-(2,4-dimethylphenyl)pyridine-2-carboxylic acid;6-[[4,7-bis[[6-carboxy-4-(4-methoxy-2-methylphenyl)-2-pyridinyl]methyl]-1,4,7-triazonan-1-yl]methyl]-4-(2,4-dimethylphenyl)pyridine-2-carboxylic acid;6-[[4,7-bis[[6-carboxy-4-(2,4,6-trimethylphenyl)-2-pyridinyl]methyl]-1,4,7-triazonan-1-yl]methyl]-4-(2,4,6-trimethylphenyl)pyridine-2-carboxylic acid;dysprosium;terbium.

Molecular Properties

• Compound Name: 6-[[4,7-bis[[6-carboxy-4-(2,4-dimethylphenyl)-2-pyridinyl]methyl]-1,4,7-triazonan-1-yl]methyl]-4-(2,4-dimethylphenyl)pyridine-2-carboxylic acid;6-[[4,7-bis[[6-carboxy-4-(4-methoxy-2-methylphenyl)-2-pyridinyl]methyl]-1,4,7-triazonan-1-yl]methyl]-4-(2,4-dimethylphenyl)pyridine-2-carboxylic acid;6-[[4,7-bis[[6-carboxy-4-(2,4,6-trimethylphenyl)-2-pyridinyl]methyl]-1,4,7-triazonan-1-yl]methyl]-4-(2,4,6-trimethylphenyl)pyridine-2-carboxylic acid;dysprosium;terbium
• PubChem CID: 160582467
• Molecular Formula: C156H168Dy2N18O20Tb
• Molecular Weight: 3099.09 g/mol
• Exact Mass: 3100.05
• IUPAC Name: 6-[[4,7-bis[[6-carboxy-4-(2,4-dimethylphenyl)-2-pyridinyl]methyl]-1,4,7-triazonan-1-yl]methyl]-4-(2,4-dimethylphenyl)pyridine-2-carboxylic acid;6-[[4,7-bis[[6-carboxy-4-(4-methoxy-2-methylphenyl)-2-pyridinyl]methyl]-1,4,7-triazonan-1-yl]methyl]-4-(2,4-dimethylphenyl)pyridine-2-carboxylic acid;6-[[4,7-bis[[6-carboxy-4-(2,4,6-trimethylphenyl)-2-pyridinyl]methyl]-1,4,7-triazonan-1-yl]methyl]-4-(2,4,6-trimethylphenyl)pyridine-2-carboxylic acid;dysprosium;terbium
• SMILES: COc1ccc(-c2cc(CN3CCN(Cc4cc(-c5ccc(C)cc5C)cc(C(=O)O)n4)CCN(Cc4cc(-c5ccc(OC)cc5C)cc(C(=O)O)n4)CC3)nc(C(=O)O)c2)c(C)c1.Cc1cc(C)c(-c2cc(CN3CCN(Cc4cc(-c5c(C)cc(C)cc5C)cc(C(=O)O)n4)CCN(Cc4cc(-c5c(C)cc(C)cc5C)cc(C(=O)O)n4)CC3)nc(C(=O)O)c2)c(C)c1.Cc1ccc(-c2cc(CN3CCN(Cc4cc(-c5ccc(C)cc5C)cc(C(=O)O)n4)CCN(Cc4cc(-c5ccc(C)cc5C)cc(C(=O)O)n4)CC3)nc(C(=O)O)c2)c(C)c1.[Dy].[Dy].[Tb]
• InChI: InChI=1S/C54H60N6O6.C51H54N6O8.C51H54N6O6.2Dy.Tb/c1-31-16-34(4)49(35(5)17-31)40-22-43(55-46(25-40)52(61)62)28-58-10-12-59(29-44-23-41(26-47(56-44)53(63)64)50-36(6)18-32(2)19-37(50)7)14-15-60(13-11-58)30-45-24-42(27-48(57-45)54(65)66)51-38(8)20-33(3)21-39(51)9;1-31-7-10-43(32(2)19-31)35-22-38(52-46(25-35)49(58)59)28-55-13-15-56(29-39-23-36(26-47(53-39)50(60)61)44-11-8-41(64-5)20-33(44)3)17-18-57(16-14-55)30-40-24-37(27-48(54-40)51(62)63)45-12-9-42(65-6)21-34(45)4;1-31-7-10-43(34(4)19-31)37-22-40(52-46(25-37)49(58)59)28-55-13-15-56(29-41-23-38(26-47(53-41)50(60)61)44-11-8-32(2)20-35(44)5)17-18-57(16-14-55)30-42-24-39(27-48(54-42)51(62)63)45-12-9-33(3)21-36(45)6;;;/h16-27H,10-15,28-30H2,1-9H3,(H,61,62)(H,63,64)(H,65,66);7-12,19-27H,13-18,28-30H2,1-6H3,(H,58,59)(H,60,61)(H,62,63);7-12,19-27H,13-18,28-30H2,1-6H3,(H,58,59)(H,60,61)(H,62,63)
• InChIKey: SMVGGPBTEXKYQD-UHFFFAOYSA-N
• XLogP: 26.24
• TPSA: 499.33 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 29
• Rotatable Bonds: 38
• Heavy Atoms: 197
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3099.09
LogP ≤ 5	26.24
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 6-[[4,7-bis[[6-carboxy-4-(2,4-dimethylphenyl)-2-pyridinyl]methyl]-1,4,7-triazonan-1-yl]methyl]-4-(2,4-dimethylphenyl)pyridine-2-carboxylic acid;6-[[4,7-bis[[6-carboxy-4-(4-methoxy-2-methylphenyl)-2-pyridinyl]methyl]-1,4,7-triazonan-1-yl]methyl]-4-(2,4-dimethylphenyl)pyridine-2-carboxylic acid;6-[[4,7-bis[[6-carboxy-4-(2,4,6-trimethylphenyl)-2-pyridinyl]methyl]-1,4,7-triazonan-1-yl]methyl]-4-(2,4,6-trimethylphenyl)pyridine-2-carboxylic acid;dysprosium;terbium?

The IUPAC name of 6-[[4,7-bis[[6-carboxy-4-(2,4-dimethylphenyl)-2-pyridinyl]methyl]-1,4,7-triazonan-1-yl]methyl]-4-(2,4-dimethylphenyl)pyridine-2-carboxylic acid;6-[[4,7-bis[[6-carboxy-4-(4-methoxy-2-methylphenyl)-2-pyridinyl]methyl]-1,4,7-triazonan-1-yl]methyl]-4-(2,4-dimethylphenyl)pyridine-2-carboxylic acid;6-[[4,7-bis[[6-carboxy-4-(2,4,6-trimethylphenyl)-2-pyridinyl]methyl]-1,4,7-triazonan-1-yl]methyl]-4-(2,4,6-trimethylphenyl)pyridine-2-carboxylic acid;dysprosium;terbium (CID 160582467) is 6-[[4,7-bis[[6-carboxy-4-(2,4-dimethylphenyl)-2-pyridinyl]methyl]-1,4,7-triazonan-1-yl]methyl]-4-(2,4-dimethylphenyl)pyridine-2-carboxylic acid;6-[[4,7-bis[[6-carboxy-4-(4-methoxy-2-methylphenyl)-2-pyridinyl]methyl]-1,4,7-triazonan-1-yl]methyl]-4-(2,4-dimethylphenyl)pyridine-2-carboxylic acid;6-[[4,7-bis[[6-carboxy-4-(2,4,6-trimethylphenyl)-2-pyridinyl]methyl]-1,4,7-triazonan-1-yl]methyl]-4-(2,4,6-trimethylphenyl)pyridine-2-carboxylic acid;dysprosium;terbium.

What is the SMILES notation for 6-[[4,7-bis[[6-carboxy-4-(2,4-dimethylphenyl)-2-pyridinyl]methyl]-1,4,7-triazonan-1-yl]methyl]-4-(2,4-dimethylphenyl)pyridine-2-carboxylic acid;6-[[4,7-bis[[6-carboxy-4-(4-methoxy-2-methylphenyl)-2-pyridinyl]methyl]-1,4,7-triazonan-1-yl]methyl]-4-(2,4-dimethylphenyl)pyridine-2-carboxylic acid;6-[[4,7-bis[[6-carboxy-4-(2,4,6-trimethylphenyl)-2-pyridinyl]methyl]-1,4,7-triazonan-1-yl]methyl]-4-(2,4,6-trimethylphenyl)pyridine-2-carboxylic acid;dysprosium;terbium?

The canonical SMILES for 6-[[4,7-bis[[6-carboxy-4-(2,4-dimethylphenyl)-2-pyridinyl]methyl]-1,4,7-triazonan-1-yl]methyl]-4-(2,4-dimethylphenyl)pyridine-2-carboxylic acid;6-[[4,7-bis[[6-carboxy-4-(4-methoxy-2-methylphenyl)-2-pyridinyl]methyl]-1,4,7-triazonan-1-yl]methyl]-4-(2,4-dimethylphenyl)pyridine-2-carboxylic acid;6-[[4,7-bis[[6-carboxy-4-(2,4,6-trimethylphenyl)-2-pyridinyl]methyl]-1,4,7-triazonan-1-yl]methyl]-4-(2,4,6-trimethylphenyl)pyridine-2-carboxylic acid;dysprosium;terbium is COc1ccc(-c2cc(CN3CCN(Cc4cc(-c5ccc(C)cc5C)cc(C(=O)O)n4)CCN(Cc4cc(-c5ccc(OC)cc5C)cc(C(=O)O)n4)CC3)nc(C(=O)O)c2)c(C)c1.Cc1cc(C)c(-c2cc(CN3CCN(Cc4cc(-c5c(C)cc(C)cc5C)cc(C(=O)O)n4)CCN(Cc4cc(-c5c(C)cc(C)cc5C)cc(C(=O)O)n4)CC3)nc(C(=O)O)c2)c(C)c1.Cc1ccc(-c2cc(CN3CCN(Cc4cc(-c5ccc(C)cc5C)cc(C(=O)O)n4)CCN(Cc4cc(-c5ccc(C)cc5C)cc(C(=O)O)n4)CC3)nc(C(=O)O)c2)c(C)c1.[Dy].[Dy].[Tb].

What is the InChIKey of 6-[[4,7-bis[[6-carboxy-4-(2,4-dimethylphenyl)-2-pyridinyl]methyl]-1,4,7-triazonan-1-yl]methyl]-4-(2,4-dimethylphenyl)pyridine-2-carboxylic acid;6-[[4,7-bis[[6-carboxy-4-(4-methoxy-2-methylphenyl)-2-pyridinyl]methyl]-1,4,7-triazonan-1-yl]methyl]-4-(2,4-dimethylphenyl)pyridine-2-carboxylic acid;6-[[4,7-bis[[6-carboxy-4-(2,4,6-trimethylphenyl)-2-pyridinyl]methyl]-1,4,7-triazonan-1-yl]methyl]-4-(2,4,6-trimethylphenyl)pyridine-2-carboxylic acid;dysprosium;terbium?

The InChIKey is SMVGGPBTEXKYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H60N6O6.C51H54N6O8.C51H54N6O6.2Dy.Tb/c1-31-16-34(4)49(35(5)17-31)40-22-43(55-46(25-40)52(61)62)28-58-10-12-59(29-44-23-41(26-47(56-44)53(63)64)50-36(6)18-32(2)19-37(50)7)14-15-60(13-11-58)30-45-24-42(27-48(57-45)54(65)66)51-38(8)20-33(3)21-39(51)9;1-31-7-10-43(32(2)19-31)35-22-38(52-46(25-35)49(58)59)28-55-13-15-56(29-39-23-36(26-47(53-39)50(60)61)44-11-8-41(64-5)20-33(44)3)17-18-57(16-14-55)30-40-24-37(27-48(54-40)51(62)63)45-12-9-42(65-6)21-34(45)4;1-31-7-10-43(34(4)19-31)37-22-40(52-46(25-37)49(58)59)28-55-13-15-56(29-41-23-38(26-47(53-41)50(60)61)44-11-8-32(2)20-35(44)5)17-18-57(16-14-55)30-42-24-39(27-48(54-42)51(62)63)45-12-9-33(3)21-36(45)6;;;/h16-27H,10-15,28-30H2,1-9H3,(H,61,62)(H,63,64)(H,65,66);7-12,19-27H,13-18,28-30H2,1-6H3,(H,58,59)(H,60,61)(H,62,63);7-12,19-27H,13-18,28-30H2,1-6H3,(H,58,59)(H,60,61)(H,62,63);;;.

What are the key properties of 6-[[4,7-bis[[6-carboxy-4-(2,4-dimethylphenyl)-2-pyridinyl]methyl]-1,4,7-triazonan-1-yl]methyl]-4-(2,4-dimethylphenyl)pyridine-2-carboxylic acid;6-[[4,7-bis[[6-carboxy-4-(4-methoxy-2-methylphenyl)-2-pyridinyl]methyl]-1,4,7-triazonan-1-yl]methyl]-4-(2,4-dimethylphenyl)pyridine-2-carboxylic acid;6-[[4,7-bis[[6-carboxy-4-(2,4,6-trimethylphenyl)-2-pyridinyl]methyl]-1,4,7-triazonan-1-yl]methyl]-4-(2,4,6-trimethylphenyl)pyridine-2-carboxylic acid;dysprosium;terbium?

6-[[4,7-bis[[6-carboxy-4-(2,4-dimethylphenyl)-2-pyridinyl]methyl]-1,4,7-triazonan-1-yl]methyl]-4-(2,4-dimethylphenyl)pyridine-2-carboxylic acid;6-[[4,7-bis[[6-carboxy-4-(4-methoxy-2-methylphenyl)-2-pyridinyl]methyl]-1,4,7-triazonan-1-yl]methyl]-4-(2,4-dimethylphenyl)pyridine-2-carboxylic acid;6-[[4,7-bis[[6-carboxy-4-(2,4,6-trimethylphenyl)-2-pyridinyl]methyl]-1,4,7-triazonan-1-yl]methyl]-4-(2,4,6-trimethylphenyl)pyridine-2-carboxylic acid;dysprosium;terbium has a molecular weight of 3099.09 g/mol, XLogP of 26.24, 38 rotatable bonds, 9 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[4,7-bis[[6-carboxy-4-(2,4-dimethylphenyl)-2-pyridinyl]methyl]-1,4,7-triazonan-1-yl]methyl]-4-(2,4-dimethylphenyl)pyridine-2-carboxylic acid;6-[[4,7-bis[[6-carboxy-4-(4-methoxy-2-methylphenyl)-2-pyridinyl]methyl]-1,4,7-triazonan-1-yl]methyl]-4-(2,4-dimethylphenyl)pyridine-2-carboxylic acid;6-[[4,7-bis[[6-carboxy-4-(2,4,6-trimethylphenyl)-2-pyridinyl]methyl]-1,4,7-triazonan-1-yl]methyl]-4-(2,4,6-trimethylphenyl)pyridine-2-carboxylic acid;dysprosium;terbium is sourced from PubChem (CID 160582467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).