chloro-triphenyl-(pyridin-4-ylmethyl)-λ5-phosphane

C24H21ClNP — CID 12582536

IUPACchloro-triphenyl-(pyridin-4-ylmethyl)-λ5-phosphane
SMILESClP(Cc1ccncc1)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H21ClNP/c25-27(22-10-4-1-5-11-22,23-12-6-2-7-13-23,24-14-8-3-9-15-24)20-21-16-18-26-19-17-21/h1-19H,20H2
InChIKeyXGGCSPIDBPLVBG-UHFFFAOYSA-N
MW389.87 g/mol
LogP5.27
Rot. Bonds5

About chloro-triphenyl-(pyridin-4-ylmethyl)-λ5-phosphane

chloro-triphenyl-(pyridin-4-ylmethyl)-λ5-phosphane (PubChem CID 12582536) has the molecular formula C24H21ClNP and a molecular weight of 389.87 g/mol. Its IUPAC name is chloro-triphenyl-(pyridin-4-ylmethyl)-λ5-phosphane.

Molecular Properties

Compound Namechloro-triphenyl-(pyridin-4-ylmethyl)-λ5-phosphane
PubChem CID12582536
Molecular FormulaC24H21ClNP
Molecular Weight389.87 g/mol
Exact Mass389.11
IUPAC Namechloro-triphenyl-(pyridin-4-ylmethyl)-λ5-phosphane
SMILESClP(Cc1ccncc1)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H21ClNP/c25-27(22-10-4-1-5-11-22,23-12-6-2-7-13-23,24-14-8-3-9-15-24)20-21-16-18-26-19-17-21/h1-19H,20H2
InChIKeyXGGCSPIDBPLVBG-UHFFFAOYSA-N
XLogP5.27
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.87
LogP ≤ 55.27
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

4-[[chloro(triphenyl)-lambda5-phosphanyl]methyl]benzonitrile
CID 13447714
chloro-ethyl-triphenyl-λ5-phosphane
CID 12903040
4-[4-[[chloro(triphenyl)-lambda5-phosphanyl]methyl]phenyl]-2-methylbutanenitrile
CID 14995199
chloro-[(6-methoxynaphthalen-2-yl)methyl]-triphenyl-λ5-phosphane
CID 139877593
(3-but-3-enylphenyl)methyl-chloro-triphenyl-λ5-phosphane
CID 140777358
chloro-[(1-methylpyrazol-3-yl)methyl]-triphenyl-lambda5-phosphane
CID 12845051
4-(4-phenylbutyl)pyridine;hydrochloride
CID 117066828
4-(6-phenylhexyl)pyridine;hydrochloride
CID 117067698
4-[(2-phenylimidazol-1-yl)methyl]pyridine
CID 67150298
butane;ethane;4-propylpyridine;pyridine
CID 143414684
pyridine;titanium
CID 87570870
4-(2-pyridin-4-ylethyl)pyridine;dihydrochloride
CID 131859960

Frequently Asked Questions

What is the IUPAC name of chloro-triphenyl-(pyridin-4-ylmethyl)-λ5-phosphane?
The IUPAC name of chloro-triphenyl-(pyridin-4-ylmethyl)-λ5-phosphane (CID 12582536) is chloro-triphenyl-(pyridin-4-ylmethyl)-λ5-phosphane.
What is the SMILES notation for chloro-triphenyl-(pyridin-4-ylmethyl)-λ5-phosphane?
The canonical SMILES for chloro-triphenyl-(pyridin-4-ylmethyl)-λ5-phosphane is ClP(Cc1ccncc1)(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of chloro-triphenyl-(pyridin-4-ylmethyl)-λ5-phosphane?
The InChIKey is XGGCSPIDBPLVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClNP/c25-27(22-10-4-1-5-11-22,23-12-6-2-7-13-23,24-14-8-3-9-15-24)20-21-16-18-26-19-17-21/h1-19H,20H2.
What are the key properties of chloro-triphenyl-(pyridin-4-ylmethyl)-λ5-phosphane?
chloro-triphenyl-(pyridin-4-ylmethyl)-λ5-phosphane has a molecular weight of 389.87 g/mol, XLogP of 5.27, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-triphenyl-(pyridin-4-ylmethyl)-λ5-phosphane is sourced from PubChem (CID 12582536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).