aluminum;N,N-bis(diphenylphosphanyl)propan-2-amine;carbon monoxide;chromium;tetrakis(1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-olate)

C47H27AlCrF36NO8P2- — CID 16658255

IUPACaluminum;N,N-bis(diphenylphosphanyl)propan-2-amine;carbon monoxide;chromium;tetrakis(1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-olate)
SMILESCC(C)N(P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1.[Al+3].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr].[O-]C(C(F)(F)F)(C(F)(F)F)C(F)(F)F.[O-]C(C(F)(F)F)(C(F)(F)F)C(F)(F)F.[O-]C(C(F)(F)F)(C(F)(F)F)C(F)(F)F.[O-]C(C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C27H27NP2.4C4F9O.4CO.Al.Cr/c1-23(2)28(29(24-15-7-3-8-16-24)25-17-9-4-10-18-25)30(26-19-11-5-12-20-26)27-21-13-6-14-22-27;4*5-2(6,7)1(14,3(8,9)10)4(11,12)13;4*1-2;;/h3-23H,1-2H3;;;;;;;;;;/q;4*-1;;;;;+3;
InChIKeyPYOSVFYPXGTWTG-UHFFFAOYSA-N
MW1558.59 g/mol
LogP12.35
Rot. Bonds7

About aluminum;N,N-bis(diphenylphosphanyl)propan-2-amine;carbon monoxide;chromium;tetrakis(1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-olate)

aluminum;N,N-bis(diphenylphosphanyl)propan-2-amine;carbon monoxide;chromium;tetrakis(1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-olate) (PubChem CID 16658255) has the molecular formula C47H27AlCrF36NO8P2- and a molecular weight of 1558.59 g/mol. Its IUPAC name is aluminum;N,N-bis(diphenylphosphanyl)propan-2-amine;carbon monoxide;chromium;tetrakis(1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-olate).

Molecular Properties

Compound Namealuminum;N,N-bis(diphenylphosphanyl)propan-2-amine;carbon monoxide;chromium;tetrakis(1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-olate)
PubChem CID16658255
Molecular FormulaC47H27AlCrF36NO8P2-
Molecular Weight1558.59 g/mol
Exact Mass1557.99
IUPAC Namealuminum;N,N-bis(diphenylphosphanyl)propan-2-amine;carbon monoxide;chromium;tetrakis(1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-olate)
SMILESCC(C)N(P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1.[Al+3].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr].[O-]C(C(F)(F)F)(C(F)(F)F)C(F)(F)F.[O-]C(C(F)(F)F)(C(F)(F)F)C(F)(F)F.[O-]C(C(F)(F)F)(C(F)(F)F)C(F)(F)F.[O-]C(C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C27H27NP2.4C4F9O.4CO.Al.Cr/c1-23(2)28(29(24-15-7-3-8-16-24)25-17-9-4-10-18-25)30(26-19-11-5-12-20-26)27-21-13-6-14-22-27;4*5-2(6,7)1(14,3(8,9)10)4(11,12)13;4*1-2;;/h3-23H,1-2H3;;;;;;;;;;/q;4*-1;;;;;+3;
InChIKeyPYOSVFYPXGTWTG-UHFFFAOYSA-N
XLogP12.35
TPSA175.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms96
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001558.59
LogP ≤ 512.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'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 aluminum;N,N-bis(diphenylphosphanyl)propan-2-amine;carbon monoxide;chromium;tetrakis(1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-olate)?
The IUPAC name of aluminum;N,N-bis(diphenylphosphanyl)propan-2-amine;carbon monoxide;chromium;tetrakis(1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-olate) (CID 16658255) is aluminum;N,N-bis(diphenylphosphanyl)propan-2-amine;carbon monoxide;chromium;tetrakis(1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-olate).
What is the SMILES notation for aluminum;N,N-bis(diphenylphosphanyl)propan-2-amine;carbon monoxide;chromium;tetrakis(1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-olate)?
The canonical SMILES for aluminum;N,N-bis(diphenylphosphanyl)propan-2-amine;carbon monoxide;chromium;tetrakis(1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-olate) is CC(C)N(P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1.[Al+3].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr].[O-]C(C(F)(F)F)(C(F)(F)F)C(F)(F)F.[O-]C(C(F)(F)F)(C(F)(F)F)C(F)(F)F.[O-]C(C(F)(F)F)(C(F)(F)F)C(F)(F)F.[O-]C(C(F)(F)F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of aluminum;N,N-bis(diphenylphosphanyl)propan-2-amine;carbon monoxide;chromium;tetrakis(1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-olate)?
The InChIKey is PYOSVFYPXGTWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27NP2.4C4F9O.4CO.Al.Cr/c1-23(2)28(29(24-15-7-3-8-16-24)25-17-9-4-10-18-25)30(26-19-11-5-12-20-26)27-21-13-6-14-22-27;4*5-2(6,7)1(14,3(8,9)10)4(11,12)13;4*1-2;;/h3-23H,1-2H3;;;;;;;;;;/q;4*-1;;;;;+3;.
What are the key properties of aluminum;N,N-bis(diphenylphosphanyl)propan-2-amine;carbon monoxide;chromium;tetrakis(1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-olate)?
aluminum;N,N-bis(diphenylphosphanyl)propan-2-amine;carbon monoxide;chromium;tetrakis(1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-olate) has a molecular weight of 1558.59 g/mol, XLogP of 12.35, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum;N,N-bis(diphenylphosphanyl)propan-2-amine;carbon monoxide;chromium;tetrakis(1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-olate) is sourced from PubChem (CID 16658255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).