dichloromethane;(4-methylphenyl)-[2-[[2-(4-methylphenyl)azanidylphenyl]diazenyl]phenyl]azanide;(4-methylphenyl)-[2-(pyridin-2-yldiazenyl)phenyl]azanide;rhenium

C45H39Cl2N8Re-3 — CID 139136016

IUPACdichloromethane;(4-methylphenyl)-[2-[[2-(4-methylphenyl)azanidylphenyl]diazenyl]phenyl]azanide;(4-methylphenyl)-[2-(pyridin-2-yldiazenyl)phenyl]azanide;rhenium
SMILESCc1ccc([N-]c2ccccc2/N=N/c2ccccc2[N-]c2ccc(C)cc2)cc1.Cc1ccc([N-]c2ccccc2/N=N/c2ccccn2)cc1.ClCCl.[Re]
InChIInChI=1S/C26H22N4.C18H15N4.CH2Cl2.Re/c1-19-11-15-21(16-12-19)27-23-7-3-5-9-25(23)29-30-26-10-6-4-8-24(26)28-22-17-13-20(2)14-18-22;1-14-9-11-15(12-10-14)20-16-6-2-3-7-17(16)21-22-18-8-4-5-13-19-18;2-1-3;/h3-18H,1-2H3;2-13H,1H3;1H2;/q-2;-1;;/b30-29+;22-21+;;
InChIKeyFVSVTBMQNAKOBF-GUNHQFTCSA-N
MW948.98 g/mol
LogP16.95
Rot. Bonds10

About dichloromethane;(4-methylphenyl)-[2-[[2-(4-methylphenyl)azanidylphenyl]diazenyl]phenyl]azanide;(4-methylphenyl)-[2-(pyridin-2-yldiazenyl)phenyl]azanide;rhenium

dichloromethane;(4-methylphenyl)-[2-[[2-(4-methylphenyl)azanidylphenyl]diazenyl]phenyl]azanide;(4-methylphenyl)-[2-(pyridin-2-yldiazenyl)phenyl]azanide;rhenium (PubChem CID 139136016) has the molecular formula C45H39Cl2N8Re-3 and a molecular weight of 948.98 g/mol. Its IUPAC name is dichloromethane;(4-methylphenyl)-[2-[[2-(4-methylphenyl)azanidylphenyl]diazenyl]phenyl]azanide;(4-methylphenyl)-[2-(pyridin-2-yldiazenyl)phenyl]azanide;rhenium.

Molecular Properties

Compound Namedichloromethane;(4-methylphenyl)-[2-[[2-(4-methylphenyl)azanidylphenyl]diazenyl]phenyl]azanide;(4-methylphenyl)-[2-(pyridin-2-yldiazenyl)phenyl]azanide;rhenium
PubChem CID139136016
Molecular FormulaC45H39Cl2N8Re-3
Molecular Weight948.98 g/mol
Exact Mass948.22
IUPAC Namedichloromethane;(4-methylphenyl)-[2-[[2-(4-methylphenyl)azanidylphenyl]diazenyl]phenyl]azanide;(4-methylphenyl)-[2-(pyridin-2-yldiazenyl)phenyl]azanide;rhenium
SMILESCc1ccc([N-]c2ccccc2/N=N/c2ccccc2[N-]c2ccc(C)cc2)cc1.Cc1ccc([N-]c2ccccc2/N=N/c2ccccn2)cc1.ClCCl.[Re]
InChIInChI=1S/C26H22N4.C18H15N4.CH2Cl2.Re/c1-19-11-15-21(16-12-19)27-23-7-3-5-9-25(23)29-30-26-10-6-4-8-24(26)28-22-17-13-20(2)14-18-22;1-14-9-11-15(12-10-14)20-16-6-2-3-7-17(16)21-22-18-8-4-5-13-19-18;2-1-3;/h3-18H,1-2H3;2-13H,1H3;1H2;/q-2;-1;;/b30-29+;22-21+;;
InChIKeyFVSVTBMQNAKOBF-GUNHQFTCSA-N
XLogP16.95
TPSA104.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500948.98
LogP ≤ 516.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dichloromethane;(4-methylphenyl)-[2-[[2-(4-methylphenyl)azanidylphenyl]diazenyl]phenyl]azanide;(4-methylphenyl)-[2-(pyridin-2-yldiazenyl)phenyl]azanide;rhenium?
The IUPAC name of dichloromethane;(4-methylphenyl)-[2-[[2-(4-methylphenyl)azanidylphenyl]diazenyl]phenyl]azanide;(4-methylphenyl)-[2-(pyridin-2-yldiazenyl)phenyl]azanide;rhenium (CID 139136016) is dichloromethane;(4-methylphenyl)-[2-[[2-(4-methylphenyl)azanidylphenyl]diazenyl]phenyl]azanide;(4-methylphenyl)-[2-(pyridin-2-yldiazenyl)phenyl]azanide;rhenium.
What is the SMILES notation for dichloromethane;(4-methylphenyl)-[2-[[2-(4-methylphenyl)azanidylphenyl]diazenyl]phenyl]azanide;(4-methylphenyl)-[2-(pyridin-2-yldiazenyl)phenyl]azanide;rhenium?
The canonical SMILES for dichloromethane;(4-methylphenyl)-[2-[[2-(4-methylphenyl)azanidylphenyl]diazenyl]phenyl]azanide;(4-methylphenyl)-[2-(pyridin-2-yldiazenyl)phenyl]azanide;rhenium is Cc1ccc([N-]c2ccccc2/N=N/c2ccccc2[N-]c2ccc(C)cc2)cc1.Cc1ccc([N-]c2ccccc2/N=N/c2ccccn2)cc1.ClCCl.[Re].
What is the InChIKey of dichloromethane;(4-methylphenyl)-[2-[[2-(4-methylphenyl)azanidylphenyl]diazenyl]phenyl]azanide;(4-methylphenyl)-[2-(pyridin-2-yldiazenyl)phenyl]azanide;rhenium?
The InChIKey is FVSVTBMQNAKOBF-GUNHQFTCSA-N. The full InChI is InChI=1S/C26H22N4.C18H15N4.CH2Cl2.Re/c1-19-11-15-21(16-12-19)27-23-7-3-5-9-25(23)29-30-26-10-6-4-8-24(26)28-22-17-13-20(2)14-18-22;1-14-9-11-15(12-10-14)20-16-6-2-3-7-17(16)21-22-18-8-4-5-13-19-18;2-1-3;/h3-18H,1-2H3;2-13H,1H3;1H2;/q-2;-1;;/b30-29+;22-21+;;.
What are the key properties of dichloromethane;(4-methylphenyl)-[2-[[2-(4-methylphenyl)azanidylphenyl]diazenyl]phenyl]azanide;(4-methylphenyl)-[2-(pyridin-2-yldiazenyl)phenyl]azanide;rhenium?
dichloromethane;(4-methylphenyl)-[2-[[2-(4-methylphenyl)azanidylphenyl]diazenyl]phenyl]azanide;(4-methylphenyl)-[2-(pyridin-2-yldiazenyl)phenyl]azanide;rhenium has a molecular weight of 948.98 g/mol, XLogP of 16.95, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dichloromethane;(4-methylphenyl)-[2-[[2-(4-methylphenyl)azanidylphenyl]diazenyl]phenyl]azanide;(4-methylphenyl)-[2-(pyridin-2-yldiazenyl)phenyl]azanide;rhenium is sourced from PubChem (CID 139136016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).