1-[6-(1-diphenylphosphanylethyl)-2-pyridinyl]ethyl-diphenylphosphane;ethane

C35H37NP2 — CID 159086200

IUPAC1-[6-(1-diphenylphosphanylethyl)-2-pyridinyl]ethyl-diphenylphosphane;ethane
SMILESCC.CC(c1cccc(C(C)P(c2ccccc2)c2ccccc2)n1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H31NP2.C2H6/c1-26(35(28-16-7-3-8-17-28)29-18-9-4-10-19-29)32-24-15-25-33(34-32)27(2)36(30-20-11-5-12-21-30)31-22-13-6-14-23-31;1-2/h3-27H,1-2H3;1-2H3
InChIKeyKBLYZHRYYLHWPU-UHFFFAOYSA-N
MW533.64 g/mol
LogP8.50
Rot. Bonds8

About 1-[6-(1-diphenylphosphanylethyl)-2-pyridinyl]ethyl-diphenylphosphane;ethane

1-[6-(1-diphenylphosphanylethyl)-2-pyridinyl]ethyl-diphenylphosphane;ethane (PubChem CID 159086200) has the molecular formula C35H37NP2 and a molecular weight of 533.64 g/mol. Its IUPAC name is 1-[6-(1-diphenylphosphanylethyl)-2-pyridinyl]ethyl-diphenylphosphane;ethane.

Molecular Properties

Compound Name1-[6-(1-diphenylphosphanylethyl)-2-pyridinyl]ethyl-diphenylphosphane;ethane
PubChem CID159086200
Molecular FormulaC35H37NP2
Molecular Weight533.64 g/mol
Exact Mass533.24
IUPAC Name1-[6-(1-diphenylphosphanylethyl)-2-pyridinyl]ethyl-diphenylphosphane;ethane
SMILESCC.CC(c1cccc(C(C)P(c2ccccc2)c2ccccc2)n1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H31NP2.C2H6/c1-26(35(28-16-7-3-8-17-28)29-18-9-4-10-19-29)32-24-15-25-33(34-32)27(2)36(30-20-11-5-12-21-30)31-22-13-6-14-23-31;1-2/h3-27H,1-2H3;1-2H3
InChIKeyKBLYZHRYYLHWPU-UHFFFAOYSA-N
XLogP8.50
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.64
LogP ≤ 58.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[6-(1-diphenylphosphanylethyl)-2-pyridinyl]ethyl-diphenylphosphane;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1S)-1-[3-[(1S)-1-diphenylphosphanylethyl]phenyl]ethyl]-diphenylphosphane
CID 46216943
[(2R,3R)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane
CID 2724948
1-(2,3-dimethylphenyl)ethyl-diphenylphosphane
CID 174399183
3-(1-diphenylphosphanylethyl)aniline
CID 151885183
[diphenylphosphanyl(pyridin-2-yl)methyl]-diphenylphosphane
CID 15398914
dichloronickel;[(2R)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane
CID 88642037
dichlorocobalt;[(2S,3S)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane
CID 11364946
2-diphenylphosphanylpropanoic acid
CID 14902743
bis([(2S,4S)-4-diphenylphosphanylpentan-2-yl]-diphenylphosphane);bis(iridium);tetraiodide
CID 11446268
(5-diphenylphosphanyl-3,4-diphenylhexan-2-yl)-diphenylphosphane
CID 23403284
2-diphenylphosphanylethane-1,1,2-triol
CID 174746690
[(1S)-1-[2-[(1S)-1-diphenylphosphanylethyl]cyclopenta-1,3-dien-1-yl]ethyl]-diphenylphosphane
CID 101070950

Frequently Asked Questions

What is the IUPAC name of 1-[6-(1-diphenylphosphanylethyl)-2-pyridinyl]ethyl-diphenylphosphane;ethane?
The IUPAC name of 1-[6-(1-diphenylphosphanylethyl)-2-pyridinyl]ethyl-diphenylphosphane;ethane (CID 159086200) is 1-[6-(1-diphenylphosphanylethyl)-2-pyridinyl]ethyl-diphenylphosphane;ethane.
What is the SMILES notation for 1-[6-(1-diphenylphosphanylethyl)-2-pyridinyl]ethyl-diphenylphosphane;ethane?
The canonical SMILES for 1-[6-(1-diphenylphosphanylethyl)-2-pyridinyl]ethyl-diphenylphosphane;ethane is CC.CC(c1cccc(C(C)P(c2ccccc2)c2ccccc2)n1)P(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-[6-(1-diphenylphosphanylethyl)-2-pyridinyl]ethyl-diphenylphosphane;ethane?
The InChIKey is KBLYZHRYYLHWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31NP2.C2H6/c1-26(35(28-16-7-3-8-17-28)29-18-9-4-10-19-29)32-24-15-25-33(34-32)27(2)36(30-20-11-5-12-21-30)31-22-13-6-14-23-31;1-2/h3-27H,1-2H3;1-2H3.
What are the key properties of 1-[6-(1-diphenylphosphanylethyl)-2-pyridinyl]ethyl-diphenylphosphane;ethane?
1-[6-(1-diphenylphosphanylethyl)-2-pyridinyl]ethyl-diphenylphosphane;ethane has a molecular weight of 533.64 g/mol, XLogP of 8.50, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(1-diphenylphosphanylethyl)-2-pyridinyl]ethyl-diphenylphosphane;ethane is sourced from PubChem (CID 159086200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).