chromium(3+);tetrakis([tris(4-methylphenoxy)-λ5-phosphanylidene]oxidanium)

C84H88CrO16P4+7 — CID 11980274

IUPACchromium(3+);tetrakis([tris(4-methylphenoxy)-λ5-phosphanylidene]oxidanium)
SMILES[Cr+3].[H][O+]=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1.[H][O+]=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1.[H][O+]=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1.[H][O+]=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1
InChIInChI=1S/4C21H21O4P.Cr/c4*1-16-4-10-19(11-5-16)23-26(22,24-20-12-6-17(2)7-13-20)25-21-14-8-18(3)9-15-21;/h4*4-15H,1-3H3;/q;;;;+3/p+4
InChIKeyYOAFXXHJNGZOHX-UHFFFAOYSA-R
MW1529.50 g/mol
LogP24.79
Rot. Bonds24

About chromium(3+);tetrakis([tris(4-methylphenoxy)-λ5-phosphanylidene]oxidanium)

chromium(3+);tetrakis([tris(4-methylphenoxy)-λ5-phosphanylidene]oxidanium) (PubChem CID 11980274) has the molecular formula C84H88CrO16P4+7 and a molecular weight of 1529.50 g/mol. Its IUPAC name is chromium(3+);tetrakis([tris(4-methylphenoxy)-λ5-phosphanylidene]oxidanium).

Molecular Properties

Compound Namechromium(3+);tetrakis([tris(4-methylphenoxy)-λ5-phosphanylidene]oxidanium)
PubChem CID11980274
Molecular FormulaC84H88CrO16P4+7
Molecular Weight1529.50 g/mol
Exact Mass1528.44
IUPAC Namechromium(3+);tetrakis([tris(4-methylphenoxy)-λ5-phosphanylidene]oxidanium)
SMILES[Cr+3].[H][O+]=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1.[H][O+]=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1.[H][O+]=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1.[H][O+]=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1
InChIInChI=1S/4C21H21O4P.Cr/c4*1-16-4-10-19(11-5-16)23-26(22,24-20-12-6-17(2)7-13-20)25-21-14-8-18(3)9-15-21;/h4*4-15H,1-3H3;/q;;;;+3/p+4
InChIKeyYOAFXXHJNGZOHX-UHFFFAOYSA-R
XLogP24.79
TPSA196.36 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds24
Heavy Atoms105
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001529.50
LogP ≤ 524.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chromium(3+);tetrakis([tris(4-methylphenoxy)-λ5-phosphanylidene]oxidanium)?
The IUPAC name of chromium(3+);tetrakis([tris(4-methylphenoxy)-λ5-phosphanylidene]oxidanium) (CID 11980274) is chromium(3+);tetrakis([tris(4-methylphenoxy)-λ5-phosphanylidene]oxidanium).
What is the SMILES notation for chromium(3+);tetrakis([tris(4-methylphenoxy)-λ5-phosphanylidene]oxidanium)?
The canonical SMILES for chromium(3+);tetrakis([tris(4-methylphenoxy)-λ5-phosphanylidene]oxidanium) is [Cr+3].[H][O+]=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1.[H][O+]=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1.[H][O+]=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1.[H][O+]=P(Oc1ccc(C)cc1)(Oc1ccc(C)cc1)Oc1ccc(C)cc1.
What is the InChIKey of chromium(3+);tetrakis([tris(4-methylphenoxy)-λ5-phosphanylidene]oxidanium)?
The InChIKey is YOAFXXHJNGZOHX-UHFFFAOYSA-R. The full InChI is InChI=1S/4C21H21O4P.Cr/c4*1-16-4-10-19(11-5-16)23-26(22,24-20-12-6-17(2)7-13-20)25-21-14-8-18(3)9-15-21;/h4*4-15H,1-3H3;/q;;;;+3/p+4.
What are the key properties of chromium(3+);tetrakis([tris(4-methylphenoxy)-λ5-phosphanylidene]oxidanium)?
chromium(3+);tetrakis([tris(4-methylphenoxy)-λ5-phosphanylidene]oxidanium) has a molecular weight of 1529.50 g/mol, XLogP of 24.79, 24 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for chromium(3+);tetrakis([tris(4-methylphenoxy)-λ5-phosphanylidene]oxidanium) is sourced from PubChem (CID 11980274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).