2-N,2-N,6-N,6-N-tetrakis(diphenylphosphinothioyl)pyridine-2,6-diamine

C53H43N3P4S4 — CID 12061654

IUPAC2-N,2-N,6-N,6-N-tetrakis(diphenylphosphinothioyl)pyridine-2,6-diamine
SMILESS=P(c1ccccc1)(c1ccccc1)N(c1cccc(N(P(=S)(c2ccccc2)c2ccccc2)P(=S)(c2ccccc2)c2ccccc2)n1)P(=S)(c1ccccc1)c1ccccc1
InChIInChI=1S/C53H43N3P4S4/c61-57(44-26-9-1-10-27-44,45-28-11-2-12-29-45)55(58(62,46-30-13-3-14-31-46)47-32-15-4-16-33-47)52-42-25-43-53(54-52)56(59(63,48-34-17-5-18-35-48)49-36-19-6-20-37-49)60(64,50-38-21-7-22-39-50)51-40-23-8-24-41-51/h1-43H
InChIKeySLDUXKNNTWYZRC-UHFFFAOYSA-N
MW974.11 g/mol
LogP10.88
Rot. Bonds14

About 2-N,2-N,6-N,6-N-tetrakis(diphenylphosphinothioyl)pyridine-2,6-diamine

2-N,2-N,6-N,6-N-tetrakis(diphenylphosphinothioyl)pyridine-2,6-diamine (PubChem CID 12061654) has the molecular formula C53H43N3P4S4 and a molecular weight of 974.11 g/mol. Its IUPAC name is 2-N,2-N,6-N,6-N-tetrakis(diphenylphosphinothioyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name2-N,2-N,6-N,6-N-tetrakis(diphenylphosphinothioyl)pyridine-2,6-diamine
PubChem CID12061654
Molecular FormulaC53H43N3P4S4
Molecular Weight974.11 g/mol
Exact Mass973.13
IUPAC Name2-N,2-N,6-N,6-N-tetrakis(diphenylphosphinothioyl)pyridine-2,6-diamine
SMILESS=P(c1ccccc1)(c1ccccc1)N(c1cccc(N(P(=S)(c2ccccc2)c2ccccc2)P(=S)(c2ccccc2)c2ccccc2)n1)P(=S)(c1ccccc1)c1ccccc1
InChIInChI=1S/C53H43N3P4S4/c61-57(44-26-9-1-10-27-44,45-28-11-2-12-29-45)55(58(62,46-30-13-3-14-31-46)47-32-15-4-16-33-47)52-42-25-43-53(54-52)56(59(63,48-34-17-5-18-35-48)49-36-19-6-20-37-49)60(64,50-38-21-7-22-39-50)51-40-23-8-24-41-51/h1-43H
InChIKeySLDUXKNNTWYZRC-UHFFFAOYSA-N
XLogP10.88
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500974.11
LogP ≤ 510.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

bromo-diphenyl-sulfanylidene-λ5-phosphane
CID 23415811
Diphenylselenothiophosphinic acid
CID 11243432
oxido-diphenyl-sulfanylidene-λ5-phosphane
CID 3382215
4-N-(6-diphenylphosphoryl-2-pyridinyl)-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 58518338
dimethyl-phenyl-sulfanylidene-λ5-phosphane;ethane
CID 91466135
hydroxy-diphenyl-sulfanylidene-λ5-phosphane;hydrochloride
CID 172809471
[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-diphenyl-sulfanylidene-λ5-phosphane
CID 140901933
N-diphenylphosphanyl-N-diphenylphosphinothioylmethanamine
CID 23415829
bis(dimethylamino)-diphenylphosphinothioyliminophosphanium
CID 23418356
N-diphenylphosphinothioyl-N-[diphenyl(trimethylsilylimino)-λ5-phosphanyl]propan-1-amine
CID 15910225
methyl-phenyl-sulfanyl-sulfanylidene-lambda5-phosphane
CID 586594
2,6-bis(diphenylphosphoryl)pyridine;hydrate
CID 139170088

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,6-N,6-N-tetrakis(diphenylphosphinothioyl)pyridine-2,6-diamine?
The IUPAC name of 2-N,2-N,6-N,6-N-tetrakis(diphenylphosphinothioyl)pyridine-2,6-diamine (CID 12061654) is 2-N,2-N,6-N,6-N-tetrakis(diphenylphosphinothioyl)pyridine-2,6-diamine.
What is the SMILES notation for 2-N,2-N,6-N,6-N-tetrakis(diphenylphosphinothioyl)pyridine-2,6-diamine?
The canonical SMILES for 2-N,2-N,6-N,6-N-tetrakis(diphenylphosphinothioyl)pyridine-2,6-diamine is S=P(c1ccccc1)(c1ccccc1)N(c1cccc(N(P(=S)(c2ccccc2)c2ccccc2)P(=S)(c2ccccc2)c2ccccc2)n1)P(=S)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-N,2-N,6-N,6-N-tetrakis(diphenylphosphinothioyl)pyridine-2,6-diamine?
The InChIKey is SLDUXKNNTWYZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H43N3P4S4/c61-57(44-26-9-1-10-27-44,45-28-11-2-12-29-45)55(58(62,46-30-13-3-14-31-46)47-32-15-4-16-33-47)52-42-25-43-53(54-52)56(59(63,48-34-17-5-18-35-48)49-36-19-6-20-37-49)60(64,50-38-21-7-22-39-50)51-40-23-8-24-41-51/h1-43H.
What are the key properties of 2-N,2-N,6-N,6-N-tetrakis(diphenylphosphinothioyl)pyridine-2,6-diamine?
2-N,2-N,6-N,6-N-tetrakis(diphenylphosphinothioyl)pyridine-2,6-diamine has a molecular weight of 974.11 g/mol, XLogP of 10.88, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,6-N,6-N-tetrakis(diphenylphosphinothioyl)pyridine-2,6-diamine is sourced from PubChem (CID 12061654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).