tris(dimethylamino)-(2-triphenylphosphaniumyldiphosphiran-1-yl)phosphanium

C25H35N3P4+2 — CID 16699979

IUPACtris(dimethylamino)-(2-triphenylphosphaniumyldiphosphiran-1-yl)phosphanium
SMILESCN(C)[P+](N(C)C)(N(C)C)P1CP1[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H35N3P4/c1-26(2)32(27(3)4,28(5)6)30-22-29(30)31(23-16-10-7-11-17-23,24-18-12-8-13-19-24)25-20-14-9-15-21-25/h7-21H,22H2,1-6H3/q+2
InChIKeyMSDLVCYRFNRZRJ-UHFFFAOYSA-N
MW501.47 g/mol
LogP6.11
Rot. Bonds8

About tris(dimethylamino)-(2-triphenylphosphaniumyldiphosphiran-1-yl)phosphanium

tris(dimethylamino)-(2-triphenylphosphaniumyldiphosphiran-1-yl)phosphanium (PubChem CID 16699979) has the molecular formula C25H35N3P4+2 and a molecular weight of 501.47 g/mol. Its IUPAC name is tris(dimethylamino)-(2-triphenylphosphaniumyldiphosphiran-1-yl)phosphanium.

Molecular Properties

Compound Nametris(dimethylamino)-(2-triphenylphosphaniumyldiphosphiran-1-yl)phosphanium
PubChem CID16699979
Molecular FormulaC25H35N3P4+2
Molecular Weight501.47 g/mol
Exact Mass501.18
IUPAC Nametris(dimethylamino)-(2-triphenylphosphaniumyldiphosphiran-1-yl)phosphanium
SMILESCN(C)[P+](N(C)C)(N(C)C)P1CP1[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H35N3P4/c1-26(2)32(27(3)4,28(5)6)30-22-29(30)31(23-16-10-7-11-17-23,24-18-12-8-13-19-24)25-20-14-9-15-21-25/h7-21H,22H2,1-6H3/q+2
InChIKeyMSDLVCYRFNRZRJ-UHFFFAOYSA-N
XLogP6.11
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.47
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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triphenyl-(4-triphenylphosphaniumylcyclohex-2-en-1-yl)phosphanium
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(N-methylanilino)-triphenylphosphanium
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(2S,3S)-2,3-dimethyl-1-phenylphosphirane
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triphenyl-[phenyl-[phenyl(triphenylphosphaniumyl)phosphanyl]phosphanyl]phosphanium
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phenol;propan-2-ylphosphane
CID 142173645
[(E)-2-(dimethylamino)ethenyl]-triphenylphosphanium
CID 11079101
N,N-dimethylmethanamine;2-hydroxybenzoic acid
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triphenyl-(4-triphenylphosphaniumylcyclohex-2-en-1-yl)phosphanium dibromide
CID 11147088

Frequently Asked Questions

What is the IUPAC name of tris(dimethylamino)-(2-triphenylphosphaniumyldiphosphiran-1-yl)phosphanium?
The IUPAC name of tris(dimethylamino)-(2-triphenylphosphaniumyldiphosphiran-1-yl)phosphanium (CID 16699979) is tris(dimethylamino)-(2-triphenylphosphaniumyldiphosphiran-1-yl)phosphanium.
What is the SMILES notation for tris(dimethylamino)-(2-triphenylphosphaniumyldiphosphiran-1-yl)phosphanium?
The canonical SMILES for tris(dimethylamino)-(2-triphenylphosphaniumyldiphosphiran-1-yl)phosphanium is CN(C)[P+](N(C)C)(N(C)C)P1CP1[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of tris(dimethylamino)-(2-triphenylphosphaniumyldiphosphiran-1-yl)phosphanium?
The InChIKey is MSDLVCYRFNRZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3P4/c1-26(2)32(27(3)4,28(5)6)30-22-29(30)31(23-16-10-7-11-17-23,24-18-12-8-13-19-24)25-20-14-9-15-21-25/h7-21H,22H2,1-6H3/q+2.
What are the key properties of tris(dimethylamino)-(2-triphenylphosphaniumyldiphosphiran-1-yl)phosphanium?
tris(dimethylamino)-(2-triphenylphosphaniumyldiphosphiran-1-yl)phosphanium has a molecular weight of 501.47 g/mol, XLogP of 6.11, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(dimethylamino)-(2-triphenylphosphaniumyldiphosphiran-1-yl)phosphanium is sourced from PubChem (CID 16699979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).