dodecakis(benzotriazol-1-yloxy-bis(dimethylamino)phosphanium);hexakis(fluoro-dioxido-oxo-λ5-phosphane)

C120H204F6N60O30P18 — CID 19037436

IUPACdodecakis(benzotriazol-1-yloxy-bis(dimethylamino)phosphanium);hexakis(fluoro-dioxido-oxo-λ5-phosphane)
SMILESCN(C)[PH+](On1nnc2ccccc21)N(C)C.CN(C)[PH+](On1nnc2ccccc21)N(C)C.CN(C)[PH+](On1nnc2ccccc21)N(C)C.CN(C)[PH+](On1nnc2ccccc21)N(C)C.CN(C)[PH+](On1nnc2ccccc21)N(C)C.CN(C)[PH+](On1nnc2ccccc21)N(C)C.CN(C)[PH+](On1nnc2ccccc21)N(C)C.CN(C)[PH+](On1nnc2ccccc21)N(C)C.CN(C)[PH+](On1nnc2ccccc21)N(C)C.CN(C)[PH+](On1nnc2ccccc21)N(C)C.CN(C)[PH+](On1nnc2ccccc21)N(C)C.CN(C)[PH+](On1nnc2ccccc21)N(C)C.O=P([O-])([O-])F.O=P([O-])([O-])F.O=P([O-])([O-])F.O=P([O-])([O-])F.O=P([O-])([O-])F.O=P([O-])([O-])F
InChIInChI=1S/12C10H16N5OP.6FH2O3P/c12*1-13(2)17(14(3)4)16-15-10-8-6-5-7-9(10)11-12-15;6*1-5(2,3)4/h12*5-8H,1-4H3;6*(H2,2,3,4)
InChIKeyRQVDOUTTYIYECD-UHFFFAOYSA-N
MW3638.86 g/mol
LogP4.02
Rot. Bonds48

About dodecakis(benzotriazol-1-yloxy-bis(dimethylamino)phosphanium);hexakis(fluoro-dioxido-oxo-λ5-phosphane)

dodecakis(benzotriazol-1-yloxy-bis(dimethylamino)phosphanium);hexakis(fluoro-dioxido-oxo-λ5-phosphane) (PubChem CID 19037436) has the molecular formula C120H204F6N60O30P18 and a molecular weight of 3638.86 g/mol. Its IUPAC name is dodecakis(benzotriazol-1-yloxy-bis(dimethylamino)phosphanium);hexakis(fluoro-dioxido-oxo-λ5-phosphane).

Molecular Properties

Compound Namedodecakis(benzotriazol-1-yloxy-bis(dimethylamino)phosphanium);hexakis(fluoro-dioxido-oxo-λ5-phosphane)
PubChem CID19037436
Molecular FormulaC120H204F6N60O30P18
Molecular Weight3638.86 g/mol
Exact Mass3637.15
IUPAC Namedodecakis(benzotriazol-1-yloxy-bis(dimethylamino)phosphanium);hexakis(fluoro-dioxido-oxo-λ5-phosphane)
SMILESCN(C)[PH+](On1nnc2ccccc21)N(C)C.CN(C)[PH+](On1nnc2ccccc21)N(C)C.CN(C)[PH+](On1nnc2ccccc21)N(C)C.CN(C)[PH+](On1nnc2ccccc21)N(C)C.CN(C)[PH+](On1nnc2ccccc21)N(C)C.CN(C)[PH+](On1nnc2ccccc21)N(C)C.CN(C)[PH+](On1nnc2ccccc21)N(C)C.CN(C)[PH+](On1nnc2ccccc21)N(C)C.CN(C)[PH+](On1nnc2ccccc21)N(C)C.CN(C)[PH+](On1nnc2ccccc21)N(C)C.CN(C)[PH+](On1nnc2ccccc21)N(C)C.CN(C)[PH+](On1nnc2ccccc21)N(C)C.O=P([O-])([O-])F.O=P([O-])([O-])F.O=P([O-])([O-])F.O=P([O-])([O-])F.O=P([O-])([O-])F.O=P([O-])([O-])F
InChIInChI=1S/12C10H16N5OP.6FH2O3P/c12*1-13(2)17(14(3)4)16-15-10-8-6-5-7-9(10)11-12-15;6*1-5(2,3)4/h12*5-8H,1-4H3;6*(H2,2,3,4)
InChIKeyRQVDOUTTYIYECD-UHFFFAOYSA-N
XLogP4.02
TPSA936.18 Ų
H-Bond Donors
H-Bond Acceptors90
Rotatable Bonds48
Heavy Atoms234
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003638.86
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1090

Computed Properties (RDKit)

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

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Related Compounds

benzotriazol-1-yloxy-bis(dimethylamino)phosphanium
CID 19790982
dodecakis(benzotriazol-1-yloxy(pyrrolidin-1-yl)phosphanium);hexakis(fluoro-dioxido-oxo-λ5-phosphane)
CID 22016374
1-(benzotriazol-1-yloxy)-1-fluoro-N,N,N',N'-tetramethylmethanediamine
CID 141407796
N-[benzotriazol-1-yloxy(fluoro)phosphanyl]-N-methylmethanamine
CID 159393127
benzotriazol-1-yloxy-tris(dimethylamino)phosphanium tetrafluoroborate
CID 140856559
1-[benzotriazol-1-yloxy(propyl)phosphoryl]oxybenzotriazole
CID 67697086
methane;1-methoxybenzotriazole
CID 161160564
tris(benzotriazol-1-yloxy(tripyrrolidin-1-yl)phosphanium);phosphate
CID 158267543
bis([benzotriazol-1-yloxy(dimethylamino)methylidene]-dimethylazanium);sulfate
CID 162236049
1-[benzotriazol-1-yloxy(prop-2-enyl)phosphoryl]oxybenzotriazole
CID 67879854
benzotriazol-1-yl benzotriazol-1-yloxycarbonyl carbonate
CID 10290998
1-(oxiran-2-ylmethoxy)benzotriazole
CID 10797780

Frequently Asked Questions

What is the IUPAC name of dodecakis(benzotriazol-1-yloxy-bis(dimethylamino)phosphanium);hexakis(fluoro-dioxido-oxo-λ5-phosphane)?
The IUPAC name of dodecakis(benzotriazol-1-yloxy-bis(dimethylamino)phosphanium);hexakis(fluoro-dioxido-oxo-λ5-phosphane) (CID 19037436) is dodecakis(benzotriazol-1-yloxy-bis(dimethylamino)phosphanium);hexakis(fluoro-dioxido-oxo-λ5-phosphane).
What is the SMILES notation for dodecakis(benzotriazol-1-yloxy-bis(dimethylamino)phosphanium);hexakis(fluoro-dioxido-oxo-λ5-phosphane)?
The canonical SMILES for dodecakis(benzotriazol-1-yloxy-bis(dimethylamino)phosphanium);hexakis(fluoro-dioxido-oxo-λ5-phosphane) is CN(C)[PH+](On1nnc2ccccc21)N(C)C.CN(C)[PH+](On1nnc2ccccc21)N(C)C.CN(C)[PH+](On1nnc2ccccc21)N(C)C.CN(C)[PH+](On1nnc2ccccc21)N(C)C.CN(C)[PH+](On1nnc2ccccc21)N(C)C.CN(C)[PH+](On1nnc2ccccc21)N(C)C.CN(C)[PH+](On1nnc2ccccc21)N(C)C.CN(C)[PH+](On1nnc2ccccc21)N(C)C.CN(C)[PH+](On1nnc2ccccc21)N(C)C.CN(C)[PH+](On1nnc2ccccc21)N(C)C.CN(C)[PH+](On1nnc2ccccc21)N(C)C.CN(C)[PH+](On1nnc2ccccc21)N(C)C.O=P([O-])([O-])F.O=P([O-])([O-])F.O=P([O-])([O-])F.O=P([O-])([O-])F.O=P([O-])([O-])F.O=P([O-])([O-])F.
What is the InChIKey of dodecakis(benzotriazol-1-yloxy-bis(dimethylamino)phosphanium);hexakis(fluoro-dioxido-oxo-λ5-phosphane)?
The InChIKey is RQVDOUTTYIYECD-UHFFFAOYSA-N. The full InChI is InChI=1S/12C10H16N5OP.6FH2O3P/c12*1-13(2)17(14(3)4)16-15-10-8-6-5-7-9(10)11-12-15;6*1-5(2,3)4/h12*5-8H,1-4H3;6*(H2,2,3,4).
What are the key properties of dodecakis(benzotriazol-1-yloxy-bis(dimethylamino)phosphanium);hexakis(fluoro-dioxido-oxo-λ5-phosphane)?
dodecakis(benzotriazol-1-yloxy-bis(dimethylamino)phosphanium);hexakis(fluoro-dioxido-oxo-λ5-phosphane) has a molecular weight of 3638.86 g/mol, XLogP of 4.02, 48 rotatable bonds, 0 hydrogen bond donors, and 90 hydrogen bond acceptors.
Where does this data come from?
All data for dodecakis(benzotriazol-1-yloxy-bis(dimethylamino)phosphanium);hexakis(fluoro-dioxido-oxo-λ5-phosphane) is sourced from PubChem (CID 19037436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).