2-pyridin-2-ylethyl-bis(2,4,6-trimethylphenyl)phosphane

C25H30NP — CID 139101300

IUPAC2-pyridin-2-ylethyl-bis(2,4,6-trimethylphenyl)phosphane
SMILESCc1cc(C)c(P(CCc2ccccn2)c2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C25H30NP/c1-17-13-19(3)24(20(4)14-17)27(12-10-23-9-7-8-11-26-23)25-21(5)15-18(2)16-22(25)6/h7-9,11,13-16H,10,12H2,1-6H3
InChIKeyPVZCELRDLJWSNA-UHFFFAOYSA-N
MW375.50 g/mol
LogP5.61
Rot. Bonds5

About 2-pyridin-2-ylethyl-bis(2,4,6-trimethylphenyl)phosphane

2-pyridin-2-ylethyl-bis(2,4,6-trimethylphenyl)phosphane (PubChem CID 139101300) has the molecular formula C25H30NP and a molecular weight of 375.50 g/mol. Its IUPAC name is 2-pyridin-2-ylethyl-bis(2,4,6-trimethylphenyl)phosphane.

Molecular Properties

Compound Name2-pyridin-2-ylethyl-bis(2,4,6-trimethylphenyl)phosphane
PubChem CID139101300
Molecular FormulaC25H30NP
Molecular Weight375.50 g/mol
Exact Mass375.21
IUPAC Name2-pyridin-2-ylethyl-bis(2,4,6-trimethylphenyl)phosphane
SMILESCc1cc(C)c(P(CCc2ccccn2)c2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C25H30NP/c1-17-13-19(3)24(20(4)14-17)27(12-10-23-9-7-8-11-26-23)25-21(5)15-18(2)16-22(25)6/h7-9,11,13-16H,10,12H2,1-6H3
InChIKeyPVZCELRDLJWSNA-UHFFFAOYSA-N
XLogP5.61
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.50
LogP ≤ 55.61
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

3-pyridin-2-yl-N-(2,4,6-trimethylphenyl)propanamide
CID 47468107
2-[4-(2,6-dichloro-4-methylphenyl)butyl]pyridine
CID 143930714
1-N',2-N'-bis(2-pyridin-2-ylethyl)-1-N,2-N-bis(2,4,6-trimethylphenyl)ethanediimidamide
CID 101116594
2-pyridin-2-ylethyl-bis(trimethylsilyloxy)phosphane
CID 15316140
2,5-dimethyl-N-(2-pyridin-2-ylethyl)aniline
CID 60720537
4,6-dimethyl-1-(2-pyridin-2-ylethyl)indole-2,3-dione
CID 61357169
1-(2-fluoro-4,6-dimethylphenyl)-N-methyl-3-pyridin-2-ylpropan-1-amine
CID 106883930
2-ethylpyridine;sulfane
CID 67363352
2-(14-pyridin-2-yltetradecyl)pyridine
CID 10594187
2,4,6-trimethyl-N,N-bis(pyridin-2-ylmethyl)benzenesulfonamide
CID 102189250
2-[2-[3-(2,4,6-trimethylphenyl)imidazol-1-ium-1-yl]ethyl]pyridine;iodide;hydrate
CID 139099427
[1-(2-methoxy-4,6-dimethylphenyl)-3-pyridin-2-ylpropyl]hydrazine
CID 106682947

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-ylethyl-bis(2,4,6-trimethylphenyl)phosphane?
The IUPAC name of 2-pyridin-2-ylethyl-bis(2,4,6-trimethylphenyl)phosphane (CID 139101300) is 2-pyridin-2-ylethyl-bis(2,4,6-trimethylphenyl)phosphane.
What is the SMILES notation for 2-pyridin-2-ylethyl-bis(2,4,6-trimethylphenyl)phosphane?
The canonical SMILES for 2-pyridin-2-ylethyl-bis(2,4,6-trimethylphenyl)phosphane is Cc1cc(C)c(P(CCc2ccccn2)c2c(C)cc(C)cc2C)c(C)c1.
What is the InChIKey of 2-pyridin-2-ylethyl-bis(2,4,6-trimethylphenyl)phosphane?
The InChIKey is PVZCELRDLJWSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30NP/c1-17-13-19(3)24(20(4)14-17)27(12-10-23-9-7-8-11-26-23)25-21(5)15-18(2)16-22(25)6/h7-9,11,13-16H,10,12H2,1-6H3.
What are the key properties of 2-pyridin-2-ylethyl-bis(2,4,6-trimethylphenyl)phosphane?
2-pyridin-2-ylethyl-bis(2,4,6-trimethylphenyl)phosphane has a molecular weight of 375.50 g/mol, XLogP of 5.61, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-ylethyl-bis(2,4,6-trimethylphenyl)phosphane is sourced from PubChem (CID 139101300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).