hydroxy-(hydroxy(dioxo)chromio)oxy-dioxochromium;imino(triphenyl)-λ5-phosphane

C18H18Cr2NO7P — CID 54602752

IUPAChydroxy-(hydroxy(dioxo)chromio)oxy-dioxochromium;imino(triphenyl)-λ5-phosphane
SMILESO=[Cr](=O)(O)O[Cr](=O)(=O)O.[H]N=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H16NP.2Cr.2H2O.5O/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;;;;;;;/h1-15,19H;;;2*1H2;;;;;/q;2*+1;;;;;;;/p-2
InChIKeyMYBRUKBJRCOJMB-UHFFFAOYSA-L
MW495.31 g/mol
LogP2.08
Rot. Bonds5

About hydroxy-(hydroxy(dioxo)chromio)oxy-dioxochromium;imino(triphenyl)-λ5-phosphane

hydroxy-(hydroxy(dioxo)chromio)oxy-dioxochromium;imino(triphenyl)-λ5-phosphane (PubChem CID 54602752) has the molecular formula C18H18Cr2NO7P and a molecular weight of 495.31 g/mol. Its IUPAC name is hydroxy-(hydroxy(dioxo)chromio)oxy-dioxochromium;imino(triphenyl)-λ5-phosphane.

Molecular Properties

Compound Namehydroxy-(hydroxy(dioxo)chromio)oxy-dioxochromium;imino(triphenyl)-λ5-phosphane
PubChem CID54602752
Molecular FormulaC18H18Cr2NO7P
Molecular Weight495.31 g/mol
Exact Mass494.96
IUPAC Namehydroxy-(hydroxy(dioxo)chromio)oxy-dioxochromium;imino(triphenyl)-λ5-phosphane
SMILESO=[Cr](=O)(O)O[Cr](=O)(=O)O.[H]N=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H16NP.2Cr.2H2O.5O/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;;;;;;;/h1-15,19H;;;2*1H2;;;;;/q;2*+1;;;;;;;/p-2
InChIKeyMYBRUKBJRCOJMB-UHFFFAOYSA-L
XLogP2.08
TPSA141.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.31
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hydroxy-(hydroxy(dioxo)chromio)oxy-dioxochromium;imino(triphenyl)-λ5-phosphane?
The IUPAC name of hydroxy-(hydroxy(dioxo)chromio)oxy-dioxochromium;imino(triphenyl)-λ5-phosphane (CID 54602752) is hydroxy-(hydroxy(dioxo)chromio)oxy-dioxochromium;imino(triphenyl)-λ5-phosphane.
What is the SMILES notation for hydroxy-(hydroxy(dioxo)chromio)oxy-dioxochromium;imino(triphenyl)-λ5-phosphane?
The canonical SMILES for hydroxy-(hydroxy(dioxo)chromio)oxy-dioxochromium;imino(triphenyl)-λ5-phosphane is O=[Cr](=O)(O)O[Cr](=O)(=O)O.[H]N=P(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of hydroxy-(hydroxy(dioxo)chromio)oxy-dioxochromium;imino(triphenyl)-λ5-phosphane?
The InChIKey is MYBRUKBJRCOJMB-UHFFFAOYSA-L. The full InChI is InChI=1S/C18H16NP.2Cr.2H2O.5O/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;;;;;;;/h1-15,19H;;;2*1H2;;;;;/q;2*+1;;;;;;;/p-2.
What are the key properties of hydroxy-(hydroxy(dioxo)chromio)oxy-dioxochromium;imino(triphenyl)-λ5-phosphane?
hydroxy-(hydroxy(dioxo)chromio)oxy-dioxochromium;imino(triphenyl)-λ5-phosphane has a molecular weight of 495.31 g/mol, XLogP of 2.08, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-(hydroxy(dioxo)chromio)oxy-dioxochromium;imino(triphenyl)-λ5-phosphane is sourced from PubChem (CID 54602752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).