tetrakis(oxygen(2-));tris(phenyl(pyridin-2-yl)diazene);rhenium

C33H27N9O4Re2-8 — CID 139063461

IUPACtetrakis(oxygen(2-));tris(phenyl(pyridin-2-yl)diazene);rhenium
SMILES[O-2].[O-2].[O-2].[O-2].[Re].[Re].c1ccc(/N=N/c2ccccn2)cc1.c1ccc(/N=N/c2ccccn2)cc1.c1ccc(/N=N/c2ccccn2)cc1
InChIInChI=1S/3C11H9N3.4O.2Re/c3*1-2-6-10(7-3-1)13-14-11-8-4-5-9-12-11;;;;;;/h3*1-9H;;;;;;/q;;;4*-2;;/b3*14-13+;;;;;;
InChIKeyLPXALIZBFSWUDR-FWYZWLEWSA-N
MW986.05 g/mol
LogP10.01
Rot. Bonds6

About tetrakis(oxygen(2-));tris(phenyl(pyridin-2-yl)diazene);rhenium

tetrakis(oxygen(2-));tris(phenyl(pyridin-2-yl)diazene);rhenium (PubChem CID 139063461) has the molecular formula C33H27N9O4Re2-8 and a molecular weight of 986.05 g/mol. Its IUPAC name is tetrakis(oxygen(2-));tris(phenyl(pyridin-2-yl)diazene);rhenium.

Molecular Properties

Compound Nametetrakis(oxygen(2-));tris(phenyl(pyridin-2-yl)diazene);rhenium
PubChem CID139063461
Molecular FormulaC33H27N9O4Re2-8
Molecular Weight986.05 g/mol
Exact Mass987.13
IUPAC Nametetrakis(oxygen(2-));tris(phenyl(pyridin-2-yl)diazene);rhenium
SMILES[O-2].[O-2].[O-2].[O-2].[Re].[Re].c1ccc(/N=N/c2ccccn2)cc1.c1ccc(/N=N/c2ccccn2)cc1.c1ccc(/N=N/c2ccccn2)cc1
InChIInChI=1S/3C11H9N3.4O.2Re/c3*1-2-6-10(7-3-1)13-14-11-8-4-5-9-12-11;;;;;;/h3*1-9H;;;;;;/q;;;4*-2;;/b3*14-13+;;;;;;
InChIKeyLPXALIZBFSWUDR-FWYZWLEWSA-N
XLogP10.01
TPSA226.83 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500986.05
LogP ≤ 510.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tetrakis(oxygen(2-));tris(phenyl(pyridin-2-yl)diazene);rhenium?
The IUPAC name of tetrakis(oxygen(2-));tris(phenyl(pyridin-2-yl)diazene);rhenium (CID 139063461) is tetrakis(oxygen(2-));tris(phenyl(pyridin-2-yl)diazene);rhenium.
What is the SMILES notation for tetrakis(oxygen(2-));tris(phenyl(pyridin-2-yl)diazene);rhenium?
The canonical SMILES for tetrakis(oxygen(2-));tris(phenyl(pyridin-2-yl)diazene);rhenium is [O-2].[O-2].[O-2].[O-2].[Re].[Re].c1ccc(/N=N/c2ccccn2)cc1.c1ccc(/N=N/c2ccccn2)cc1.c1ccc(/N=N/c2ccccn2)cc1.
What is the InChIKey of tetrakis(oxygen(2-));tris(phenyl(pyridin-2-yl)diazene);rhenium?
The InChIKey is LPXALIZBFSWUDR-FWYZWLEWSA-N. The full InChI is InChI=1S/3C11H9N3.4O.2Re/c3*1-2-6-10(7-3-1)13-14-11-8-4-5-9-12-11;;;;;;/h3*1-9H;;;;;;/q;;;4*-2;;/b3*14-13+;;;;;;.
What are the key properties of tetrakis(oxygen(2-));tris(phenyl(pyridin-2-yl)diazene);rhenium?
tetrakis(oxygen(2-));tris(phenyl(pyridin-2-yl)diazene);rhenium has a molecular weight of 986.05 g/mol, XLogP of 10.01, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(oxygen(2-));tris(phenyl(pyridin-2-yl)diazene);rhenium is sourced from PubChem (CID 139063461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).