chromium(2+);tris(nitric acid);2,5,15,18-tetrazapentacyclo[17.7.1.16,10.023,27.014,28]octacosa-1(26),2,4,6,8,10(28),11,13,15,17,19,21,23(27),24-tetradecaene

C24H19CrN7O9+2 — CID 46700882

IUPACchromium(2+);tris(nitric acid);2,5,15,18-tetrazapentacyclo[17.7.1.16,10.023,27.014,28]octacosa-1(26),2,4,6,8,10(28),11,13,15,17,19,21,23(27),24-tetradecaene
SMILESO=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O.[Cr+2].c1cc2cccc3nccnc4cccc5cccc(nccnc(c1)c23)c54
InChIInChI=1S/C24H16N4.Cr.3HNO3/c1-5-17-6-2-10-20-23(17)19(9-1)25-13-14-27-21-11-3-7-18-8-4-12-22(24(18)21)28-16-15-26-20;;3*2-1(3)4/h1-16H;;3*(H,2,3,4)/q;+2;;;/b25-13-,26-15-,27-14-,28-16-;;;;
InChIKeyDFORREYEWJOQMA-UISSQKCMSA-N
MW601.45 g/mol
LogP4.52
Rot. Bonds

About chromium(2+);tris(nitric acid);2,5,15,18-tetrazapentacyclo[17.7.1.16,10.023,27.014,28]octacosa-1(26),2,4,6,8,10(28),11,13,15,17,19,21,23(27),24-tetradecaene

chromium(2+);tris(nitric acid);2,5,15,18-tetrazapentacyclo[17.7.1.16,10.023,27.014,28]octacosa-1(26),2,4,6,8,10(28),11,13,15,17,19,21,23(27),24-tetradecaene (PubChem CID 46700882) has the molecular formula C24H19CrN7O9+2 and a molecular weight of 601.45 g/mol. Its IUPAC name is chromium(2+);tris(nitric acid);2,5,15,18-tetrazapentacyclo[17.7.1.16,10.023,27.014,28]octacosa-1(26),2,4,6,8,10(28),11,13,15,17,19,21,23(27),24-tetradecaene.

Molecular Properties

Compound Namechromium(2+);tris(nitric acid);2,5,15,18-tetrazapentacyclo[17.7.1.16,10.023,27.014,28]octacosa-1(26),2,4,6,8,10(28),11,13,15,17,19,21,23(27),24-tetradecaene
PubChem CID46700882
Molecular FormulaC24H19CrN7O9+2
Molecular Weight601.45 g/mol
Exact Mass601.06
IUPAC Namechromium(2+);tris(nitric acid);2,5,15,18-tetrazapentacyclo[17.7.1.16,10.023,27.014,28]octacosa-1(26),2,4,6,8,10(28),11,13,15,17,19,21,23(27),24-tetradecaene
SMILESO=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O.[Cr+2].c1cc2cccc3nccnc4cccc5cccc(nccnc(c1)c23)c54
InChIInChI=1S/C24H16N4.Cr.3HNO3/c1-5-17-6-2-10-20-23(17)19(9-1)25-13-14-27-21-11-3-7-18-8-4-12-22(24(18)21)28-16-15-26-20;;3*2-1(3)4/h1-16H;;3*(H,2,3,4)/q;+2;;;/b25-13-,26-15-,27-14-,28-16-;;;;
InChIKeyDFORREYEWJOQMA-UISSQKCMSA-N
XLogP4.52
TPSA241.67 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500601.45
LogP ≤ 54.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze chromium(2+);tris(nitric acid);2,5,15,18-tetrazapentacyclo[17.7.1.16,10.023,27.014,28]octacosa-1(26),2,4,6,8,10(28),11,13,15,17,19,21,23(27),24-tetradecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of chromium(2+);tris(nitric acid);2,5,15,18-tetrazapentacyclo[17.7.1.16,10.023,27.014,28]octacosa-1(26),2,4,6,8,10(28),11,13,15,17,19,21,23(27),24-tetradecaene?
The IUPAC name of chromium(2+);tris(nitric acid);2,5,15,18-tetrazapentacyclo[17.7.1.16,10.023,27.014,28]octacosa-1(26),2,4,6,8,10(28),11,13,15,17,19,21,23(27),24-tetradecaene (CID 46700882) is chromium(2+);tris(nitric acid);2,5,15,18-tetrazapentacyclo[17.7.1.16,10.023,27.014,28]octacosa-1(26),2,4,6,8,10(28),11,13,15,17,19,21,23(27),24-tetradecaene.
What is the SMILES notation for chromium(2+);tris(nitric acid);2,5,15,18-tetrazapentacyclo[17.7.1.16,10.023,27.014,28]octacosa-1(26),2,4,6,8,10(28),11,13,15,17,19,21,23(27),24-tetradecaene?
The canonical SMILES for chromium(2+);tris(nitric acid);2,5,15,18-tetrazapentacyclo[17.7.1.16,10.023,27.014,28]octacosa-1(26),2,4,6,8,10(28),11,13,15,17,19,21,23(27),24-tetradecaene is O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O.[Cr+2].c1cc2cccc3nccnc4cccc5cccc(nccnc(c1)c23)c54.
What is the InChIKey of chromium(2+);tris(nitric acid);2,5,15,18-tetrazapentacyclo[17.7.1.16,10.023,27.014,28]octacosa-1(26),2,4,6,8,10(28),11,13,15,17,19,21,23(27),24-tetradecaene?
The InChIKey is DFORREYEWJOQMA-UISSQKCMSA-N. The full InChI is InChI=1S/C24H16N4.Cr.3HNO3/c1-5-17-6-2-10-20-23(17)19(9-1)25-13-14-27-21-11-3-7-18-8-4-12-22(24(18)21)28-16-15-26-20;;3*2-1(3)4/h1-16H;;3*(H,2,3,4)/q;+2;;;/b25-13-,26-15-,27-14-,28-16-;;;;.
What are the key properties of chromium(2+);tris(nitric acid);2,5,15,18-tetrazapentacyclo[17.7.1.16,10.023,27.014,28]octacosa-1(26),2,4,6,8,10(28),11,13,15,17,19,21,23(27),24-tetradecaene?
chromium(2+);tris(nitric acid);2,5,15,18-tetrazapentacyclo[17.7.1.16,10.023,27.014,28]octacosa-1(26),2,4,6,8,10(28),11,13,15,17,19,21,23(27),24-tetradecaene has a molecular weight of 601.45 g/mol, XLogP of 4.52, 0 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for chromium(2+);tris(nitric acid);2,5,15,18-tetrazapentacyclo[17.7.1.16,10.023,27.014,28]octacosa-1(26),2,4,6,8,10(28),11,13,15,17,19,21,23(27),24-tetradecaene is sourced from PubChem (CID 46700882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).