6-[[4,7-bis[[6-carboxylato-4-(2,4,6-trimethoxyphenyl)-2-pyridinyl]methyl]-1,4,7-triazonan-1-yl]methyl]-4-(2,4,6-trimethoxyphenyl)pyridine-2-carboxylate;dysprosium(3+)

C54H57DyN6O15 — CID 172715985

IUPAC6-[[4,7-bis[[6-carboxylato-4-(2,4,6-trimethoxyphenyl)-2-pyridinyl]methyl]-1,4,7-triazonan-1-yl]methyl]-4-(2,4,6-trimethoxyphenyl)pyridine-2-carboxylate;dysprosium(3+)
SMILESCOc1cc(OC)c(-c2cc(CN3CCN(Cc4cc(-c5c(OC)cc(OC)cc5OC)cc(C(=O)[O-])n4)CCN(Cc4cc(-c5c(OC)cc(OC)cc5OC)cc(C(=O)[O-])n4)CC3)nc(C(=O)[O-])c2)c(OC)c1.[Dy+3]
InChIInChI=1S/C54H60N6O15.Dy/c1-67-37-22-43(70-4)49(44(23-37)71-5)31-16-34(55-40(19-31)52(61)62)28-58-10-12-59(29-35-17-32(20-41(56-35)53(63)64)50-45(72-6)24-38(68-2)25-46(50)73-7)14-15-60(13-11-58)30-36-18-33(21-42(57-36)54(65)66)51-47(74-8)26-39(69-3)27-48(51)75-9;/h16-27H,10-15,28-30H2,1-9H3,(H,61,62)(H,63,64)(H,65,66);/q;+3/p-3
InChIKeyFWFJOTIVFIOHSA-UHFFFAOYSA-K
MW1192.58 g/mol
LogP2.86
Rot. Bonds21

About 6-[[4,7-bis[[6-carboxylato-4-(2,4,6-trimethoxyphenyl)-2-pyridinyl]methyl]-1,4,7-triazonan-1-yl]methyl]-4-(2,4,6-trimethoxyphenyl)pyridine-2-carboxylate;dysprosium(3+)

6-[[4,7-bis[[6-carboxylato-4-(2,4,6-trimethoxyphenyl)-2-pyridinyl]methyl]-1,4,7-triazonan-1-yl]methyl]-4-(2,4,6-trimethoxyphenyl)pyridine-2-carboxylate;dysprosium(3+) (PubChem CID 172715985) has the molecular formula C54H57DyN6O15 and a molecular weight of 1192.58 g/mol. Its IUPAC name is 6-[[4,7-bis[[6-carboxylato-4-(2,4,6-trimethoxyphenyl)-2-pyridinyl]methyl]-1,4,7-triazonan-1-yl]methyl]-4-(2,4,6-trimethoxyphenyl)pyridine-2-carboxylate;dysprosium(3+).

Molecular Properties

Compound Name6-[[4,7-bis[[6-carboxylato-4-(2,4,6-trimethoxyphenyl)-2-pyridinyl]methyl]-1,4,7-triazonan-1-yl]methyl]-4-(2,4,6-trimethoxyphenyl)pyridine-2-carboxylate;dysprosium(3+)
PubChem CID172715985
Molecular FormulaC54H57DyN6O15
Molecular Weight1192.58 g/mol
Exact Mass1193.32
IUPAC Name6-[[4,7-bis[[6-carboxylato-4-(2,4,6-trimethoxyphenyl)-2-pyridinyl]methyl]-1,4,7-triazonan-1-yl]methyl]-4-(2,4,6-trimethoxyphenyl)pyridine-2-carboxylate;dysprosium(3+)
SMILESCOc1cc(OC)c(-c2cc(CN3CCN(Cc4cc(-c5c(OC)cc(OC)cc5OC)cc(C(=O)[O-])n4)CCN(Cc4cc(-c5c(OC)cc(OC)cc5OC)cc(C(=O)[O-])n4)CC3)nc(C(=O)[O-])c2)c(OC)c1.[Dy+3]
InChIInChI=1S/C54H60N6O15.Dy/c1-67-37-22-43(70-4)49(44(23-37)71-5)31-16-34(55-40(19-31)52(61)62)28-58-10-12-59(29-35-17-32(20-41(56-35)53(63)64)50-45(72-6)24-38(68-2)25-46(50)73-7)14-15-60(13-11-58)30-36-18-33(21-42(57-36)54(65)66)51-47(74-8)26-39(69-3)27-48(51)75-9;/h16-27H,10-15,28-30H2,1-9H3,(H,61,62)(H,63,64)(H,65,66);/q;+3/p-3
InChIKeyFWFJOTIVFIOHSA-UHFFFAOYSA-K
XLogP2.86
TPSA251.85 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds21
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001192.58
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Analyze 6-[[4,7-bis[[6-carboxylato-4-(2,4,6-trimethoxyphenyl)-2-pyridinyl]methyl]-1,4,7-triazonan-1-yl]methyl]-4-(2,4,6-trimethoxyphenyl)pyridine-2-carboxylate;dysprosium(3+) with MolForge

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Related Compounds

methyl 6-[[4-[[6-methoxycarbonyl-4-[2-(4-methoxyphenyl)ethynyl]-2-pyridinyl]methyl]-7-[[6-methoxycarbonyl-4-(4-methoxyphenyl)-2-pyridinyl]methyl]-1,4,7-triazonan-1-yl]methyl]-4-[2-(4-methoxyphenyl)ethynyl]pyridine-2-carboxylate
CID 89395015
6-[[4-[[6-carboxy-4-(4-carboxylato-5-methylfuran-2-yl)-2-pyridinyl]methyl]-7-[[6-carboxy-4-(4-carboxy-5-methylfuran-2-yl)-2-pyridinyl]methyl]-1,4,7-triazonan-1-yl]methyl]-4-(4-carboxylato-5-methylfuran-2-yl)pyridine-2-carboxylate;europium(3+)
CID 172806601
ditert-butyl 7-[[4-[2,6-dimethoxy-4-[2-oxo-2-[2-[4-(trifluoromethoxymethylideneamino)phenyl]ethylamino]ethoxy]phenyl]-6-methoxycarbonyl-2-pyridinyl]methyl]-1,4,7-triazonane-1,4-dicarboxylate
CID 59760231
[6-[[4,7-bis[[6-[hydroxy(methyl)phosphoryl]-4-[2-(2,4,6-trimethoxyphenyl)ethynyl]-2-pyridinyl]methyl]-1,4,7-triazonan-1-yl]methyl]-4-[2-(2,4,6-trimethoxyphenyl)ethynyl]-2-pyridinyl]-methylphosphinic acid
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N-(2,4-dimethoxyphenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
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1-[4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]ethanone
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Frequently Asked Questions

What is the IUPAC name of 6-[[4,7-bis[[6-carboxylato-4-(2,4,6-trimethoxyphenyl)-2-pyridinyl]methyl]-1,4,7-triazonan-1-yl]methyl]-4-(2,4,6-trimethoxyphenyl)pyridine-2-carboxylate;dysprosium(3+)?
The IUPAC name of 6-[[4,7-bis[[6-carboxylato-4-(2,4,6-trimethoxyphenyl)-2-pyridinyl]methyl]-1,4,7-triazonan-1-yl]methyl]-4-(2,4,6-trimethoxyphenyl)pyridine-2-carboxylate;dysprosium(3+) (CID 172715985) is 6-[[4,7-bis[[6-carboxylato-4-(2,4,6-trimethoxyphenyl)-2-pyridinyl]methyl]-1,4,7-triazonan-1-yl]methyl]-4-(2,4,6-trimethoxyphenyl)pyridine-2-carboxylate;dysprosium(3+).
What is the SMILES notation for 6-[[4,7-bis[[6-carboxylato-4-(2,4,6-trimethoxyphenyl)-2-pyridinyl]methyl]-1,4,7-triazonan-1-yl]methyl]-4-(2,4,6-trimethoxyphenyl)pyridine-2-carboxylate;dysprosium(3+)?
The canonical SMILES for 6-[[4,7-bis[[6-carboxylato-4-(2,4,6-trimethoxyphenyl)-2-pyridinyl]methyl]-1,4,7-triazonan-1-yl]methyl]-4-(2,4,6-trimethoxyphenyl)pyridine-2-carboxylate;dysprosium(3+) is COc1cc(OC)c(-c2cc(CN3CCN(Cc4cc(-c5c(OC)cc(OC)cc5OC)cc(C(=O)[O-])n4)CCN(Cc4cc(-c5c(OC)cc(OC)cc5OC)cc(C(=O)[O-])n4)CC3)nc(C(=O)[O-])c2)c(OC)c1.[Dy+3].
What is the InChIKey of 6-[[4,7-bis[[6-carboxylato-4-(2,4,6-trimethoxyphenyl)-2-pyridinyl]methyl]-1,4,7-triazonan-1-yl]methyl]-4-(2,4,6-trimethoxyphenyl)pyridine-2-carboxylate;dysprosium(3+)?
The InChIKey is FWFJOTIVFIOHSA-UHFFFAOYSA-K. The full InChI is InChI=1S/C54H60N6O15.Dy/c1-67-37-22-43(70-4)49(44(23-37)71-5)31-16-34(55-40(19-31)52(61)62)28-58-10-12-59(29-35-17-32(20-41(56-35)53(63)64)50-45(72-6)24-38(68-2)25-46(50)73-7)14-15-60(13-11-58)30-36-18-33(21-42(57-36)54(65)66)51-47(74-8)26-39(69-3)27-48(51)75-9;/h16-27H,10-15,28-30H2,1-9H3,(H,61,62)(H,63,64)(H,65,66);/q;+3/p-3.
What are the key properties of 6-[[4,7-bis[[6-carboxylato-4-(2,4,6-trimethoxyphenyl)-2-pyridinyl]methyl]-1,4,7-triazonan-1-yl]methyl]-4-(2,4,6-trimethoxyphenyl)pyridine-2-carboxylate;dysprosium(3+)?
6-[[4,7-bis[[6-carboxylato-4-(2,4,6-trimethoxyphenyl)-2-pyridinyl]methyl]-1,4,7-triazonan-1-yl]methyl]-4-(2,4,6-trimethoxyphenyl)pyridine-2-carboxylate;dysprosium(3+) has a molecular weight of 1192.58 g/mol, XLogP of 2.86, 21 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4,7-bis[[6-carboxylato-4-(2,4,6-trimethoxyphenyl)-2-pyridinyl]methyl]-1,4,7-triazonan-1-yl]methyl]-4-(2,4,6-trimethoxyphenyl)pyridine-2-carboxylate;dysprosium(3+) is sourced from PubChem (CID 172715985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).