bis(2-pyrrol-1-id-2-ylpyrrol-1-ide);zirconium(4+)

C16H12N4Zr — CID 58249968

IUPACbis(2-pyrrol-1-id-2-ylpyrrol-1-ide);zirconium(4+)
SMILES[Zr+4].c1c[n-]c(-c2ccc[n-]2)c1.c1c[n-]c(-c2ccc[n-]2)c1
InChIInChI=1S/2C8H6N2.Zr/c2*1-3-7(9-5-1)8-4-2-6-10-8;/h2*1-6H;/q2*-2;+4
InChIKeyMPRJBRFINAXICE-UHFFFAOYSA-N
MW351.52 g/mol
LogP2.53
Rot. Bonds2

About bis(2-pyrrol-1-id-2-ylpyrrol-1-ide);zirconium(4+)

bis(2-pyrrol-1-id-2-ylpyrrol-1-ide);zirconium(4+) (PubChem CID 58249968) has the molecular formula C16H12N4Zr and a molecular weight of 351.52 g/mol. Its IUPAC name is bis(2-pyrrol-1-id-2-ylpyrrol-1-ide);zirconium(4+).

Molecular Properties

Compound Namebis(2-pyrrol-1-id-2-ylpyrrol-1-ide);zirconium(4+)
PubChem CID58249968
Molecular FormulaC16H12N4Zr
Molecular Weight351.52 g/mol
Exact Mass350.01
IUPAC Namebis(2-pyrrol-1-id-2-ylpyrrol-1-ide);zirconium(4+)
SMILES[Zr+4].c1c[n-]c(-c2ccc[n-]2)c1.c1c[n-]c(-c2ccc[n-]2)c1
InChIInChI=1S/2C8H6N2.Zr/c2*1-3-7(9-5-1)8-4-2-6-10-8;/h2*1-6H;/q2*-2;+4
InChIKeyMPRJBRFINAXICE-UHFFFAOYSA-N
XLogP2.53
TPSA56.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.52
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-[1-(dimethylamino)-5-[1-(dimethylamino)pyrrol-2-yl]pyrrol-2-yl]-5-[1-(dimethylamino)pyrrol-2-yl]-N,N-dimethylpyrrol-1-amine
CID 101375652
2-[1-(dimethylamino)-5-[1-(dimethylamino)-5-[1-(dimethylamino)pyrrol-2-yl]pyrrol-2-yl]pyrrol-2-yl]-5-[1-(dimethylamino)pyrrol-2-yl]-N,N-dimethylpyrrol-1-amine
CID 122393616
2-[1-(dimethylamino)-5-[1-(dimethylamino)-5-[1-(dimethylamino)-5-[1-(dimethylamino)pyrrol-2-yl]pyrrol-2-yl]pyrrol-2-yl]pyrrol-2-yl]-5-[1-(dimethylamino)pyrrol-2-yl]-N,N-dimethylpyrrol-1-amine
CID 122393617
benzene;bis(N-methyl-1-pyrrol-1-id-2-yl-N-(pyrrol-1-id-2-ylmethyl)methanamine);zirconium(4+)
CID 139063490
[1,2-Bis(1H-pyrrol-2-ylmethyleneamino)ethane-kappa^4^N]iron(II)
CID 139070385
Ti(2-iminoimidazolinide)(tpa)
CID 139130009
Hf(dpma)2.CH2Cl2
CID 139133386
[di(pyrrolyl-alpha-methyl)methylamine]Bis(dimethylamido)titanium(IV)
CID 139133593
bis(dimethylazanide);N,N'-dimethyl-N,N'-bis(pyrrol-1-id-2-ylmethyl)ethane-1,2-diamine;zirconium(4+)
CID 139151044
N,N'-dimethyl-N,N'-bis(pyrrol-1-id-2-ylmethyl)ethane-1,2-diamine;phenylazanide;zirconium(4+)
CID 139151045
Trisilver;tris(2-(5-pyridin-2-ylpyrrol-1-id-2-yl)pyridine)
CID 139163297
tetrazinc;hexakis(2-(3,4-dihydro-2H-pyrrol-5-yl)pyrrol-1-ide);oxygen(2-)
CID 139180871

Frequently Asked Questions

What is the IUPAC name of bis(2-pyrrol-1-id-2-ylpyrrol-1-ide);zirconium(4+)?
The IUPAC name of bis(2-pyrrol-1-id-2-ylpyrrol-1-ide);zirconium(4+) (CID 58249968) is bis(2-pyrrol-1-id-2-ylpyrrol-1-ide);zirconium(4+).
What is the SMILES notation for bis(2-pyrrol-1-id-2-ylpyrrol-1-ide);zirconium(4+)?
The canonical SMILES for bis(2-pyrrol-1-id-2-ylpyrrol-1-ide);zirconium(4+) is [Zr+4].c1c[n-]c(-c2ccc[n-]2)c1.c1c[n-]c(-c2ccc[n-]2)c1.
What is the InChIKey of bis(2-pyrrol-1-id-2-ylpyrrol-1-ide);zirconium(4+)?
The InChIKey is MPRJBRFINAXICE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H6N2.Zr/c2*1-3-7(9-5-1)8-4-2-6-10-8;/h2*1-6H;/q2*-2;+4.
What are the key properties of bis(2-pyrrol-1-id-2-ylpyrrol-1-ide);zirconium(4+)?
bis(2-pyrrol-1-id-2-ylpyrrol-1-ide);zirconium(4+) has a molecular weight of 351.52 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-pyrrol-1-id-2-ylpyrrol-1-ide);zirconium(4+) is sourced from PubChem (CID 58249968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).