bis(chromium(2+));bis(dichloromethane);tetrakis(dipyridin-2-ylazanide)

C42H36Cl4Cr2N12 — CID 139120522

IUPACbis(chromium(2+));bis(dichloromethane);tetrakis(dipyridin-2-ylazanide)
SMILESClCCl.ClCCl.[Cr+2].[Cr+2].c1ccc([N-]c2ccccn2)nc1.c1ccc([N-]c2ccccn2)nc1.c1ccc([N-]c2ccccn2)nc1.c1ccc([N-]c2ccccn2)nc1
InChIInChI=1S/4C10H8N3.2CH2Cl2.2Cr/c4*1-3-7-11-9(5-1)13-10-6-2-4-8-12-10;2*2-1-3;;/h4*1-8H;2*1H2;;/q4*-1;;;2*+2
InChIKeyFTYXAXIGMLHNHZ-UHFFFAOYSA-N
MW954.64 g/mol
LogP14.09
Rot. Bonds8

About bis(chromium(2+));bis(dichloromethane);tetrakis(dipyridin-2-ylazanide)

bis(chromium(2+));bis(dichloromethane);tetrakis(dipyridin-2-ylazanide) (PubChem CID 139120522) has the molecular formula C42H36Cl4Cr2N12 and a molecular weight of 954.64 g/mol. Its IUPAC name is bis(chromium(2+));bis(dichloromethane);tetrakis(dipyridin-2-ylazanide).

Molecular Properties

Compound Namebis(chromium(2+));bis(dichloromethane);tetrakis(dipyridin-2-ylazanide)
PubChem CID139120522
Molecular FormulaC42H36Cl4Cr2N12
Molecular Weight954.64 g/mol
Exact Mass952.08
IUPAC Namebis(chromium(2+));bis(dichloromethane);tetrakis(dipyridin-2-ylazanide)
SMILESClCCl.ClCCl.[Cr+2].[Cr+2].c1ccc([N-]c2ccccn2)nc1.c1ccc([N-]c2ccccn2)nc1.c1ccc([N-]c2ccccn2)nc1.c1ccc([N-]c2ccccn2)nc1
InChIInChI=1S/4C10H8N3.2CH2Cl2.2Cr/c4*1-3-7-11-9(5-1)13-10-6-2-4-8-12-10;2*2-1-3;;/h4*1-8H;2*1H2;;/q4*-1;;;2*+2
InChIKeyFTYXAXIGMLHNHZ-UHFFFAOYSA-N
XLogP14.09
TPSA159.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500954.64
LogP ≤ 514.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(chromium(2+));bis(dichloromethane);tetrakis(dipyridin-2-ylazanide)?
The IUPAC name of bis(chromium(2+));bis(dichloromethane);tetrakis(dipyridin-2-ylazanide) (CID 139120522) is bis(chromium(2+));bis(dichloromethane);tetrakis(dipyridin-2-ylazanide).
What is the SMILES notation for bis(chromium(2+));bis(dichloromethane);tetrakis(dipyridin-2-ylazanide)?
The canonical SMILES for bis(chromium(2+));bis(dichloromethane);tetrakis(dipyridin-2-ylazanide) is ClCCl.ClCCl.[Cr+2].[Cr+2].c1ccc([N-]c2ccccn2)nc1.c1ccc([N-]c2ccccn2)nc1.c1ccc([N-]c2ccccn2)nc1.c1ccc([N-]c2ccccn2)nc1.
What is the InChIKey of bis(chromium(2+));bis(dichloromethane);tetrakis(dipyridin-2-ylazanide)?
The InChIKey is FTYXAXIGMLHNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/4C10H8N3.2CH2Cl2.2Cr/c4*1-3-7-11-9(5-1)13-10-6-2-4-8-12-10;2*2-1-3;;/h4*1-8H;2*1H2;;/q4*-1;;;2*+2.
What are the key properties of bis(chromium(2+));bis(dichloromethane);tetrakis(dipyridin-2-ylazanide)?
bis(chromium(2+));bis(dichloromethane);tetrakis(dipyridin-2-ylazanide) has a molecular weight of 954.64 g/mol, XLogP of 14.09, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(chromium(2+));bis(dichloromethane);tetrakis(dipyridin-2-ylazanide) is sourced from PubChem (CID 139120522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).