[3-diphenylphosphinothioyl-2-(2,6-diphenyl-4-pyridinyl)phenyl]-diphenyl-sulfanylidene-λ5-phosphane

C47H35NP2S2 — CID 137420118

IUPAC[3-diphenylphosphinothioyl-2-(2,6-diphenyl-4-pyridinyl)phenyl]-diphenyl-sulfanylidene-λ5-phosphane
SMILESS=P(c1ccccc1)(c1ccccc1)c1cccc(P(=S)(c2ccccc2)c2ccccc2)c1-c1cc(-c2ccccc2)nc(-c2ccccc2)c1
InChIInChI=1S/C47H35NP2S2/c51-49(39-24-11-3-12-25-39,40-26-13-4-14-27-40)45-32-19-33-46(50(52,41-28-15-5-16-29-41)42-30-17-6-18-31-42)47(45)38-34-43(36-20-7-1-8-21-36)48-44(35-38)37-22-9-2-10-23-37/h1-35H
InChIKeyRCUKUVSIOXWOEI-UHFFFAOYSA-N
MW739.89 g/mol
LogP9.59
Rot. Bonds9

About [3-diphenylphosphinothioyl-2-(2,6-diphenyl-4-pyridinyl)phenyl]-diphenyl-sulfanylidene-λ5-phosphane

[3-diphenylphosphinothioyl-2-(2,6-diphenyl-4-pyridinyl)phenyl]-diphenyl-sulfanylidene-λ5-phosphane (PubChem CID 137420118) has the molecular formula C47H35NP2S2 and a molecular weight of 739.89 g/mol. Its IUPAC name is [3-diphenylphosphinothioyl-2-(2,6-diphenyl-4-pyridinyl)phenyl]-diphenyl-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Name[3-diphenylphosphinothioyl-2-(2,6-diphenyl-4-pyridinyl)phenyl]-diphenyl-sulfanylidene-λ5-phosphane
PubChem CID137420118
Molecular FormulaC47H35NP2S2
Molecular Weight739.89 g/mol
Exact Mass739.17
IUPAC Name[3-diphenylphosphinothioyl-2-(2,6-diphenyl-4-pyridinyl)phenyl]-diphenyl-sulfanylidene-λ5-phosphane
SMILESS=P(c1ccccc1)(c1ccccc1)c1cccc(P(=S)(c2ccccc2)c2ccccc2)c1-c1cc(-c2ccccc2)nc(-c2ccccc2)c1
InChIInChI=1S/C47H35NP2S2/c51-49(39-24-11-3-12-25-39,40-26-13-4-14-27-40)45-32-19-33-46(50(52,41-28-15-5-16-29-41)42-30-17-6-18-31-42)47(45)38-34-43(36-20-7-1-8-21-36)48-44(35-38)37-22-9-2-10-23-37/h1-35H
InChIKeyRCUKUVSIOXWOEI-UHFFFAOYSA-N
XLogP9.59
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500739.89
LogP ≤ 59.59
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

bis(4-[4-[3-[4-[2,6-bis(4-phenylphenyl)-4-pyridinyl]phenyl]phenyl]phenyl]-2,6-bis(4-phenylphenyl)pyridine);2-[4-[4-[3-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-4,6-diphenylpyridine;4-[4-[4-[3-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-2,6-diphenylpyridine
CID 161135007
4-[3,5-bis(4-phenylphenyl)phenyl]-2,6-diphenylpyridine
CID 58943272
2,4-diphenyl-6-[4-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]pyridine
CID 58943632
2-[4-[3-(3,5-diphenylphenyl)-5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]-4,6-diphenylpyridine
CID 58943331
4-(2,6-dichlorophenyl)-2,6-diphenylpyridine
CID 139203314
4-[4-(2,6-diphenyl-4-pyridinyl)-2,3,5,6-tetramethylphenyl]-2,6-diphenylpyridine
CID 58692905
2,6-diphenyl-4-[3-(3-phenylphenyl)phenyl]pyridine
CID 58943255
2-phenyl-4,6-bis[3-phenyl-5-(4-phenylphenyl)phenyl]pyridine
CID 121311684
4-[3-(2,6-diphenyl-4-pyridinyl)-5-phenylphenyl]-2,6-diphenylpyridine
CID 59428704
4-[2,6-bis(diphenylphosphoryl)phenyl]-2-phenylpyridine
CID 137420028
2-[3-(3,5-diphenylphenyl)-5-(4,6-diphenyl-2-pyridinyl)phenyl]-4,6-diphenylpyridine
CID 154599724
2-(4-methylphenyl)-4-phenyl-6-(4-phenylphenyl)pyridine
CID 12582139

Frequently Asked Questions

What is the IUPAC name of [3-diphenylphosphinothioyl-2-(2,6-diphenyl-4-pyridinyl)phenyl]-diphenyl-sulfanylidene-λ5-phosphane?
The IUPAC name of [3-diphenylphosphinothioyl-2-(2,6-diphenyl-4-pyridinyl)phenyl]-diphenyl-sulfanylidene-λ5-phosphane (CID 137420118) is [3-diphenylphosphinothioyl-2-(2,6-diphenyl-4-pyridinyl)phenyl]-diphenyl-sulfanylidene-λ5-phosphane.
What is the SMILES notation for [3-diphenylphosphinothioyl-2-(2,6-diphenyl-4-pyridinyl)phenyl]-diphenyl-sulfanylidene-λ5-phosphane?
The canonical SMILES for [3-diphenylphosphinothioyl-2-(2,6-diphenyl-4-pyridinyl)phenyl]-diphenyl-sulfanylidene-λ5-phosphane is S=P(c1ccccc1)(c1ccccc1)c1cccc(P(=S)(c2ccccc2)c2ccccc2)c1-c1cc(-c2ccccc2)nc(-c2ccccc2)c1.
What is the InChIKey of [3-diphenylphosphinothioyl-2-(2,6-diphenyl-4-pyridinyl)phenyl]-diphenyl-sulfanylidene-λ5-phosphane?
The InChIKey is RCUKUVSIOXWOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H35NP2S2/c51-49(39-24-11-3-12-25-39,40-26-13-4-14-27-40)45-32-19-33-46(50(52,41-28-15-5-16-29-41)42-30-17-6-18-31-42)47(45)38-34-43(36-20-7-1-8-21-36)48-44(35-38)37-22-9-2-10-23-37/h1-35H.
What are the key properties of [3-diphenylphosphinothioyl-2-(2,6-diphenyl-4-pyridinyl)phenyl]-diphenyl-sulfanylidene-λ5-phosphane?
[3-diphenylphosphinothioyl-2-(2,6-diphenyl-4-pyridinyl)phenyl]-diphenyl-sulfanylidene-λ5-phosphane has a molecular weight of 739.89 g/mol, XLogP of 9.59, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-diphenylphosphinothioyl-2-(2,6-diphenyl-4-pyridinyl)phenyl]-diphenyl-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 137420118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).