N-diphenylphosphanyl-N-diphenylphosphinothioylmethanamine

C25H23NP2S — CID 23415829

IUPACN-diphenylphosphanyl-N-diphenylphosphinothioylmethanamine
SMILESCN(P(c1ccccc1)c1ccccc1)P(=S)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H23NP2S/c1-26(27(22-14-6-2-7-15-22)23-16-8-3-9-17-23)28(29,24-18-10-4-11-19-24)25-20-12-5-13-21-25/h2-21H,1H3
InChIKeyUOEGQOQOYBFSNN-UHFFFAOYSA-N
MW431.48 g/mol
LogP5.01
Rot. Bonds6

About N-diphenylphosphanyl-N-diphenylphosphinothioylmethanamine

N-diphenylphosphanyl-N-diphenylphosphinothioylmethanamine (PubChem CID 23415829) has the molecular formula C25H23NP2S and a molecular weight of 431.48 g/mol. Its IUPAC name is N-diphenylphosphanyl-N-diphenylphosphinothioylmethanamine.

Molecular Properties

Compound NameN-diphenylphosphanyl-N-diphenylphosphinothioylmethanamine
PubChem CID23415829
Molecular FormulaC25H23NP2S
Molecular Weight431.48 g/mol
Exact Mass431.10
IUPAC NameN-diphenylphosphanyl-N-diphenylphosphinothioylmethanamine
SMILESCN(P(c1ccccc1)c1ccccc1)P(=S)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H23NP2S/c1-26(27(22-14-6-2-7-15-22)23-16-8-3-9-17-23)28(29,24-18-10-4-11-19-24)25-20-12-5-13-21-25/h2-21H,1H3
InChIKeyUOEGQOQOYBFSNN-UHFFFAOYSA-N
XLogP5.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.48
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[dimethylphosphinothioyl(diphenylphosphanyl)methyl]-diphenyl-sulfanylidene-λ5-phosphane
CID 23414367
oxido-diphenyl-sulfanylidene-λ5-phosphane
CID 3382215
[(1R,2R,3R,4R)-2,3-bis(diphenylphosphanyl)-4-diphenylphosphinothioylcyclobutyl]-diphenyl-sulfanylidene-λ5-phosphane
CID 139155278
dimethyl-phenyl-sulfanylidene-λ5-phosphane;ethane
CID 91466135
[[dimethylalumanyl(diphenylphosphanyl)amino]-phenylphosphanyl]benzene
CID 16695591
bis(dimethylamino)-diphenylphosphinothioyliminophosphanium
CID 23418356
1-N,1-N,4-N,4-N-tetrakis(diphenylphosphanyl)benzene-1,4-diamine
CID 11423026
methyl-phenyl-sulfanyl-sulfanylidene-lambda5-phosphane
CID 586594
bromo-diphenyl-sulfanylidene-λ5-phosphane
CID 23415811
Diphenylselenothiophosphinic acid
CID 11243432
(1S)-N,N-bis(diphenylphosphanyl)-1-phenylethanamine
CID 11225572
2-N,2-N,6-N,6-N-tetrakis(diphenylphosphinothioyl)pyridine-2,6-diamine
CID 12061654

Frequently Asked Questions

What is the IUPAC name of N-diphenylphosphanyl-N-diphenylphosphinothioylmethanamine?
The IUPAC name of N-diphenylphosphanyl-N-diphenylphosphinothioylmethanamine (CID 23415829) is N-diphenylphosphanyl-N-diphenylphosphinothioylmethanamine.
What is the SMILES notation for N-diphenylphosphanyl-N-diphenylphosphinothioylmethanamine?
The canonical SMILES for N-diphenylphosphanyl-N-diphenylphosphinothioylmethanamine is CN(P(c1ccccc1)c1ccccc1)P(=S)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-diphenylphosphanyl-N-diphenylphosphinothioylmethanamine?
The InChIKey is UOEGQOQOYBFSNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NP2S/c1-26(27(22-14-6-2-7-15-22)23-16-8-3-9-17-23)28(29,24-18-10-4-11-19-24)25-20-12-5-13-21-25/h2-21H,1H3.
What are the key properties of N-diphenylphosphanyl-N-diphenylphosphinothioylmethanamine?
N-diphenylphosphanyl-N-diphenylphosphinothioylmethanamine has a molecular weight of 431.48 g/mol, XLogP of 5.01, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-diphenylphosphanyl-N-diphenylphosphinothioylmethanamine is sourced from PubChem (CID 23415829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).