europium(3+);1,14,34,35,36,37,38-heptazaheptacyclo[12.12.7.13,7.18,12.116,20.121,25.128,32]octatriaconta-3(38),4,6,8,10,12(37),16(36),17,19,21,23,25(35),28(34),29,31-pentadecaene-5,10,18,23-tetracarboxylic acid

C35H27EuN7O8+3 — CID 10191003

IUPACeuropium(3+);1,14,34,35,36,37,38-heptazaheptacyclo[12.12.7.13,7.18,12.116,20.121,25.128,32]octatriaconta-3(38),4,6,8,10,12(37),16(36),17,19,21,23,25(35),28(34),29,31-pentadecaene-5,10,18,23-tetracarboxylic acid
SMILESO=C(O)c1cc2nc(c1)-c1cc(C(=O)O)cc(n1)CN1Cc3cccc(n3)CN(C2)Cc2cc(C(=O)O)cc(n2)-c2cc(C(=O)O)cc(n2)C1.[Eu+3]
InChIInChI=1S/C35H27N7O8.Eu/c43-32(44)18-4-24-14-41-12-22-2-1-3-23(36-22)13-42(16-26-6-20(34(47)48)10-30(39-26)28(8-18)37-24)17-27-7-21(35(49)50)11-31(40-27)29-9-19(33(45)46)5-25(15-41)38-29;/h1-11H,12-17H2,(H,43,44)(H,45,46)(H,47,48)(H,49,50);/q;+3
InChIKeyBOTIAWRIMANULX-UHFFFAOYSA-N
MW825.61 g/mol
LogP3.82
Rot. Bonds4

About europium(3+);1,14,34,35,36,37,38-heptazaheptacyclo[12.12.7.13,7.18,12.116,20.121,25.128,32]octatriaconta-3(38),4,6,8,10,12(37),16(36),17,19,21,23,25(35),28(34),29,31-pentadecaene-5,10,18,23-tetracarboxylic acid

europium(3+);1,14,34,35,36,37,38-heptazaheptacyclo[12.12.7.13,7.18,12.116,20.121,25.128,32]octatriaconta-3(38),4,6,8,10,12(37),16(36),17,19,21,23,25(35),28(34),29,31-pentadecaene-5,10,18,23-tetracarboxylic acid (PubChem CID 10191003) has the molecular formula C35H27EuN7O8+3 and a molecular weight of 825.61 g/mol. Its IUPAC name is europium(3+);1,14,34,35,36,37,38-heptazaheptacyclo[12.12.7.13,7.18,12.116,20.121,25.128,32]octatriaconta-3(38),4,6,8,10,12(37),16(36),17,19,21,23,25(35),28(34),29,31-pentadecaene-5,10,18,23-tetracarboxylic acid.

Molecular Properties

Compound Nameeuropium(3+);1,14,34,35,36,37,38-heptazaheptacyclo[12.12.7.13,7.18,12.116,20.121,25.128,32]octatriaconta-3(38),4,6,8,10,12(37),16(36),17,19,21,23,25(35),28(34),29,31-pentadecaene-5,10,18,23-tetracarboxylic acid
PubChem CID10191003
Molecular FormulaC35H27EuN7O8+3
Molecular Weight825.61 g/mol
Exact Mass826.11
IUPAC Nameeuropium(3+);1,14,34,35,36,37,38-heptazaheptacyclo[12.12.7.13,7.18,12.116,20.121,25.128,32]octatriaconta-3(38),4,6,8,10,12(37),16(36),17,19,21,23,25(35),28(34),29,31-pentadecaene-5,10,18,23-tetracarboxylic acid
SMILESO=C(O)c1cc2nc(c1)-c1cc(C(=O)O)cc(n1)CN1Cc3cccc(n3)CN(C2)Cc2cc(C(=O)O)cc(n2)-c2cc(C(=O)O)cc(n2)C1.[Eu+3]
InChIInChI=1S/C35H27N7O8.Eu/c43-32(44)18-4-24-14-41-12-22-2-1-3-23(36-22)13-42(16-26-6-20(34(47)48)10-30(39-26)28(8-18)37-24)17-27-7-21(35(49)50)11-31(40-27)29-9-19(33(45)46)5-25(15-41)38-29;/h1-11H,12-17H2,(H,43,44)(H,45,46)(H,47,48)(H,49,50);/q;+3
InChIKeyBOTIAWRIMANULX-UHFFFAOYSA-N
XLogP3.82
TPSA220.13 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500825.61
LogP ≤ 53.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze europium(3+);1,14,34,35,36,37,38-heptazaheptacyclo[12.12.7.13,7.18,12.116,20.121,25.128,32]octatriaconta-3(38),4,6,8,10,12(37),16(36),17,19,21,23,25(35),28(34),29,31-pentadecaene-5,10,18,23-tetracarboxylic acid with MolForge

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Related Compounds

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Bis(isothiocyanato)bis(2,2'-bipyridyl-4,4'-dicarboxylato)ruthenium(II)
CID 10985370
2-Pyridin-2-yl-6-pyridin-3-ylpyridine-4-carboxylic acid
CID 162665504
2-[6-(6-Fluoro-3-pyridinyl)-2-pyridinyl]pyridine-4-carboxylic acid
CID 168275402
2-(6-Pyridin-3-yl-2-pyridinyl)pyridine-4-carboxylic acid
CID 168282305
Ruthenium bis(bipyridine)dicarboxybipyridine
CID 3081541
3,5-Bis((bis(2-pyridylmethyl)amino)methyl)benzoic acid
CID 66690508
[2,2':6',2''-Terpyridine]-4,4',4''-tricarboxylic acid
CID 11233869
6,6'-Dimethyl(2,2'-bipyridine)-4,4'-dicarboxylic acid
CID 14975206
2,6-Bis(4-carboxyquinolin-2-yl)pyridine
CID 21813663

Frequently Asked Questions

What is the IUPAC name of europium(3+);1,14,34,35,36,37,38-heptazaheptacyclo[12.12.7.13,7.18,12.116,20.121,25.128,32]octatriaconta-3(38),4,6,8,10,12(37),16(36),17,19,21,23,25(35),28(34),29,31-pentadecaene-5,10,18,23-tetracarboxylic acid?
The IUPAC name of europium(3+);1,14,34,35,36,37,38-heptazaheptacyclo[12.12.7.13,7.18,12.116,20.121,25.128,32]octatriaconta-3(38),4,6,8,10,12(37),16(36),17,19,21,23,25(35),28(34),29,31-pentadecaene-5,10,18,23-tetracarboxylic acid (CID 10191003) is europium(3+);1,14,34,35,36,37,38-heptazaheptacyclo[12.12.7.13,7.18,12.116,20.121,25.128,32]octatriaconta-3(38),4,6,8,10,12(37),16(36),17,19,21,23,25(35),28(34),29,31-pentadecaene-5,10,18,23-tetracarboxylic acid.
What is the SMILES notation for europium(3+);1,14,34,35,36,37,38-heptazaheptacyclo[12.12.7.13,7.18,12.116,20.121,25.128,32]octatriaconta-3(38),4,6,8,10,12(37),16(36),17,19,21,23,25(35),28(34),29,31-pentadecaene-5,10,18,23-tetracarboxylic acid?
The canonical SMILES for europium(3+);1,14,34,35,36,37,38-heptazaheptacyclo[12.12.7.13,7.18,12.116,20.121,25.128,32]octatriaconta-3(38),4,6,8,10,12(37),16(36),17,19,21,23,25(35),28(34),29,31-pentadecaene-5,10,18,23-tetracarboxylic acid is O=C(O)c1cc2nc(c1)-c1cc(C(=O)O)cc(n1)CN1Cc3cccc(n3)CN(C2)Cc2cc(C(=O)O)cc(n2)-c2cc(C(=O)O)cc(n2)C1.[Eu+3].
What is the InChIKey of europium(3+);1,14,34,35,36,37,38-heptazaheptacyclo[12.12.7.13,7.18,12.116,20.121,25.128,32]octatriaconta-3(38),4,6,8,10,12(37),16(36),17,19,21,23,25(35),28(34),29,31-pentadecaene-5,10,18,23-tetracarboxylic acid?
The InChIKey is BOTIAWRIMANULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H27N7O8.Eu/c43-32(44)18-4-24-14-41-12-22-2-1-3-23(36-22)13-42(16-26-6-20(34(47)48)10-30(39-26)28(8-18)37-24)17-27-7-21(35(49)50)11-31(40-27)29-9-19(33(45)46)5-25(15-41)38-29;/h1-11H,12-17H2,(H,43,44)(H,45,46)(H,47,48)(H,49,50);/q;+3.
What are the key properties of europium(3+);1,14,34,35,36,37,38-heptazaheptacyclo[12.12.7.13,7.18,12.116,20.121,25.128,32]octatriaconta-3(38),4,6,8,10,12(37),16(36),17,19,21,23,25(35),28(34),29,31-pentadecaene-5,10,18,23-tetracarboxylic acid?
europium(3+);1,14,34,35,36,37,38-heptazaheptacyclo[12.12.7.13,7.18,12.116,20.121,25.128,32]octatriaconta-3(38),4,6,8,10,12(37),16(36),17,19,21,23,25(35),28(34),29,31-pentadecaene-5,10,18,23-tetracarboxylic acid has a molecular weight of 825.61 g/mol, XLogP of 3.82, 4 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for europium(3+);1,14,34,35,36,37,38-heptazaheptacyclo[12.12.7.13,7.18,12.116,20.121,25.128,32]octatriaconta-3(38),4,6,8,10,12(37),16(36),17,19,21,23,25(35),28(34),29,31-pentadecaene-5,10,18,23-tetracarboxylic acid is sourced from PubChem (CID 10191003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).