tris(2-(2,5-dimethylpyrrol-1-yl)ethyl-phenylazanide);neodymium(3+)

C42H51N6Nd — CID 139109032

IUPACtris(2-(2,5-dimethylpyrrol-1-yl)ethyl-phenylazanide);neodymium(3+)
SMILESCc1ccc(C)n1CC[N-]c1ccccc1.Cc1ccc(C)n1CC[N-]c1ccccc1.Cc1ccc(C)n1CC[N-]c1ccccc1.[Nd+3]
InChIInChI=1S/3C14H17N2.Nd/c3*1-12-8-9-13(2)16(12)11-10-15-14-6-4-3-5-7-14;/h3*3-9H,10-11H2,1-2H3;/q3*-1;+3
InChIKeyPJYWOLZMSCWQJH-UHFFFAOYSA-N
MW784.15 g/mol
LogP11.43
Rot. Bonds12

About tris(2-(2,5-dimethylpyrrol-1-yl)ethyl-phenylazanide);neodymium(3+)

tris(2-(2,5-dimethylpyrrol-1-yl)ethyl-phenylazanide);neodymium(3+) (PubChem CID 139109032) has the molecular formula C42H51N6Nd and a molecular weight of 784.15 g/mol. Its IUPAC name is tris(2-(2,5-dimethylpyrrol-1-yl)ethyl-phenylazanide);neodymium(3+).

Molecular Properties

Compound Nametris(2-(2,5-dimethylpyrrol-1-yl)ethyl-phenylazanide);neodymium(3+)
PubChem CID139109032
Molecular FormulaC42H51N6Nd
Molecular Weight784.15 g/mol
Exact Mass781.33
IUPAC Nametris(2-(2,5-dimethylpyrrol-1-yl)ethyl-phenylazanide);neodymium(3+)
SMILESCc1ccc(C)n1CC[N-]c1ccccc1.Cc1ccc(C)n1CC[N-]c1ccccc1.Cc1ccc(C)n1CC[N-]c1ccccc1.[Nd+3]
InChIInChI=1S/3C14H17N2.Nd/c3*1-12-8-9-13(2)16(12)11-10-15-14-6-4-3-5-7-14;/h3*3-9H,10-11H2,1-2H3;/q3*-1;+3
InChIKeyPJYWOLZMSCWQJH-UHFFFAOYSA-N
XLogP11.43
TPSA57.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500784.15
LogP ≤ 511.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[1-(4-Fluorophenyl)-5-[(4-phenylpiperazin-1-yl)methyl]pyrrol-2-yl]methyl]-4-phenylpiperazine
CID 155930434
2-(2,5-dimethylpyrrol-1-yl)-N,N-bis[2-(2,5-dimethylpyrrol-1-yl)ethyl]ethanamine
CID 3808400
di(N-methyl-4-pyridyl)porphyrin
CID 129844761
(2Z)-3-ethyl-2-[(2E,4E)-5-(3-ethyl-1,3-benzoselenazol-3-ium-2-yl)penta-2,4-dienylidene]-1,3-benzoselenazole
CID 23350320
Vlklgquyuwvlkl-uhfffaoysa-
CID 6912024
1-Methyl-2,5-bis(pyrrolidin-1-ylmethyl)pyrrole
CID 11694460
1-Phenyl-2-(1-phenylpyrrol-2-yl)pyrrole
CID 102012740
Dihexyldeuteroporphyrin
CID 129701645
5,10,15-Triphenyloctaethylporphyrin
CID 129781526
1-[4-Bis[4-(2,5-dimethylpyrrol-1-yl)phenyl]phosphorylphenyl]-2,5-dimethylpyrrole
CID 134973585
bis(N-tert-butyl-1-pyrrol-1-id-2-ylmethanimine);2-(2,5-dimethylpyrrol-1-yl)ethyl-phenylazanide;neodymium(3+)
CID 139109035
Phenyl-(1,2,5-trimethylpyrrol-3-yl)diazene
CID 168353267

Frequently Asked Questions

What is the IUPAC name of tris(2-(2,5-dimethylpyrrol-1-yl)ethyl-phenylazanide);neodymium(3+)?
The IUPAC name of tris(2-(2,5-dimethylpyrrol-1-yl)ethyl-phenylazanide);neodymium(3+) (CID 139109032) is tris(2-(2,5-dimethylpyrrol-1-yl)ethyl-phenylazanide);neodymium(3+).
What is the SMILES notation for tris(2-(2,5-dimethylpyrrol-1-yl)ethyl-phenylazanide);neodymium(3+)?
The canonical SMILES for tris(2-(2,5-dimethylpyrrol-1-yl)ethyl-phenylazanide);neodymium(3+) is Cc1ccc(C)n1CC[N-]c1ccccc1.Cc1ccc(C)n1CC[N-]c1ccccc1.Cc1ccc(C)n1CC[N-]c1ccccc1.[Nd+3].
What is the InChIKey of tris(2-(2,5-dimethylpyrrol-1-yl)ethyl-phenylazanide);neodymium(3+)?
The InChIKey is PJYWOLZMSCWQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/3C14H17N2.Nd/c3*1-12-8-9-13(2)16(12)11-10-15-14-6-4-3-5-7-14;/h3*3-9H,10-11H2,1-2H3;/q3*-1;+3.
What are the key properties of tris(2-(2,5-dimethylpyrrol-1-yl)ethyl-phenylazanide);neodymium(3+)?
tris(2-(2,5-dimethylpyrrol-1-yl)ethyl-phenylazanide);neodymium(3+) has a molecular weight of 784.15 g/mol, XLogP of 11.43, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-(2,5-dimethylpyrrol-1-yl)ethyl-phenylazanide);neodymium(3+) is sourced from PubChem (CID 139109032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).