chromium(3+);bis(phenyl-[2-(pyridin-2-yldiazenyl)phenyl]azanide);perchlorate

C34H26ClCrN8O4 — CID 139133163

IUPACchromium(3+);bis(phenyl-[2-(pyridin-2-yldiazenyl)phenyl]azanide);perchlorate
SMILES[Cr+3].[O-][Cl+3]([O-])([O-])[O-].c1ccc([N-]c2ccccc2/N=N/c2ccccn2)cc1.c1ccc([N-]c2ccccc2/N=N\c2ccccn2)cc1
InChIInChI=1S/2C17H13N4.ClHO4.Cr/c2*1-2-8-14(9-3-1)19-15-10-4-5-11-16(15)20-21-17-12-6-7-13-18-17;2-1(3,4)5;/h2*1-13H;(H,2,3,4,5);/q2*-1;;+3/p-1/b21-20+;21-20-;;
InChIKeyORGLRKQLZUYDLV-FNOBAQQXSA-M
MW698.08 g/mol
LogP6.91
Rot. Bonds8

About chromium(3+);bis(phenyl-[2-(pyridin-2-yldiazenyl)phenyl]azanide);perchlorate

chromium(3+);bis(phenyl-[2-(pyridin-2-yldiazenyl)phenyl]azanide);perchlorate (PubChem CID 139133163) has the molecular formula C34H26ClCrN8O4 and a molecular weight of 698.08 g/mol. Its IUPAC name is chromium(3+);bis(phenyl-[2-(pyridin-2-yldiazenyl)phenyl]azanide);perchlorate.

Molecular Properties

Compound Namechromium(3+);bis(phenyl-[2-(pyridin-2-yldiazenyl)phenyl]azanide);perchlorate
PubChem CID139133163
Molecular FormulaC34H26ClCrN8O4
Molecular Weight698.08 g/mol
Exact Mass697.12
IUPAC Namechromium(3+);bis(phenyl-[2-(pyridin-2-yldiazenyl)phenyl]azanide);perchlorate
SMILES[Cr+3].[O-][Cl+3]([O-])([O-])[O-].c1ccc([N-]c2ccccc2/N=N/c2ccccn2)cc1.c1ccc([N-]c2ccccc2/N=N\c2ccccn2)cc1
InChIInChI=1S/2C17H13N4.ClHO4.Cr/c2*1-2-8-14(9-3-1)19-15-10-4-5-11-16(15)20-21-17-12-6-7-13-18-17;2-1(3,4)5;/h2*1-13H;(H,2,3,4,5);/q2*-1;;+3/p-1/b21-20+;21-20-;;
InChIKeyORGLRKQLZUYDLV-FNOBAQQXSA-M
XLogP6.91
TPSA195.66 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500698.08
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of chromium(3+);bis(phenyl-[2-(pyridin-2-yldiazenyl)phenyl]azanide);perchlorate?
The IUPAC name of chromium(3+);bis(phenyl-[2-(pyridin-2-yldiazenyl)phenyl]azanide);perchlorate (CID 139133163) is chromium(3+);bis(phenyl-[2-(pyridin-2-yldiazenyl)phenyl]azanide);perchlorate.
What is the SMILES notation for chromium(3+);bis(phenyl-[2-(pyridin-2-yldiazenyl)phenyl]azanide);perchlorate?
The canonical SMILES for chromium(3+);bis(phenyl-[2-(pyridin-2-yldiazenyl)phenyl]azanide);perchlorate is [Cr+3].[O-][Cl+3]([O-])([O-])[O-].c1ccc([N-]c2ccccc2/N=N/c2ccccn2)cc1.c1ccc([N-]c2ccccc2/N=N\c2ccccn2)cc1.
What is the InChIKey of chromium(3+);bis(phenyl-[2-(pyridin-2-yldiazenyl)phenyl]azanide);perchlorate?
The InChIKey is ORGLRKQLZUYDLV-FNOBAQQXSA-M. The full InChI is InChI=1S/2C17H13N4.ClHO4.Cr/c2*1-2-8-14(9-3-1)19-15-10-4-5-11-16(15)20-21-17-12-6-7-13-18-17;2-1(3,4)5;/h2*1-13H;(H,2,3,4,5);/q2*-1;;+3/p-1/b21-20+;21-20-;;.
What are the key properties of chromium(3+);bis(phenyl-[2-(pyridin-2-yldiazenyl)phenyl]azanide);perchlorate?
chromium(3+);bis(phenyl-[2-(pyridin-2-yldiazenyl)phenyl]azanide);perchlorate has a molecular weight of 698.08 g/mol, XLogP of 6.91, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for chromium(3+);bis(phenyl-[2-(pyridin-2-yldiazenyl)phenyl]azanide);perchlorate is sourced from PubChem (CID 139133163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).