2-[4-[2-(1,3-dioxolan-2-yl)ethyl]-2-pyridinyl]-4-methylpyridine;[(Z)-2-diphenylphosphaniumylethenyl]-diphenylphosphanium;osmium;2-pyridin-2-ylpyridine

C52H50N4O2OsP2+2 — CID 20811301

IUPAC2-[4-[2-(1,3-dioxolan-2-yl)ethyl]-2-pyridinyl]-4-methylpyridine;[(Z)-2-diphenylphosphaniumylethenyl]-diphenylphosphanium;osmium;2-pyridin-2-ylpyridine
SMILESC(=C\[PH+](c1ccccc1)c1ccccc1)\[PH+](c1ccccc1)c1ccccc1.Cc1ccnc(-c2cc(CCC3OCCO3)ccn2)c1.[Os].c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C26H22P2.C16H18N2O2.C10H8N2.Os/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;1-12-4-6-17-14(10-12)15-11-13(5-7-18-15)2-3-16-19-8-9-20-16;1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h1-22H;4-7,10-11,16H,2-3,8-9H2,1H3;1-8H;/p+2/b22-21-;;;
InChIKeyJLRKVKJVLJAHCS-FAIYXUOWSA-P
MW1015.18 g/mol
LogP10.09
Rot. Bonds11

About 2-[4-[2-(1,3-dioxolan-2-yl)ethyl]-2-pyridinyl]-4-methylpyridine;[(Z)-2-diphenylphosphaniumylethenyl]-diphenylphosphanium;osmium;2-pyridin-2-ylpyridine

2-[4-[2-(1,3-dioxolan-2-yl)ethyl]-2-pyridinyl]-4-methylpyridine;[(Z)-2-diphenylphosphaniumylethenyl]-diphenylphosphanium;osmium;2-pyridin-2-ylpyridine (PubChem CID 20811301) has the molecular formula C52H50N4O2OsP2+2 and a molecular weight of 1015.18 g/mol. Its IUPAC name is 2-[4-[2-(1,3-dioxolan-2-yl)ethyl]-2-pyridinyl]-4-methylpyridine;[(Z)-2-diphenylphosphaniumylethenyl]-diphenylphosphanium;osmium;2-pyridin-2-ylpyridine.

Molecular Properties

Compound Name2-[4-[2-(1,3-dioxolan-2-yl)ethyl]-2-pyridinyl]-4-methylpyridine;[(Z)-2-diphenylphosphaniumylethenyl]-diphenylphosphanium;osmium;2-pyridin-2-ylpyridine
PubChem CID20811301
Molecular FormulaC52H50N4O2OsP2+2
Molecular Weight1015.18 g/mol
Exact Mass1016.30
IUPAC Name2-[4-[2-(1,3-dioxolan-2-yl)ethyl]-2-pyridinyl]-4-methylpyridine;[(Z)-2-diphenylphosphaniumylethenyl]-diphenylphosphanium;osmium;2-pyridin-2-ylpyridine
SMILESC(=C\[PH+](c1ccccc1)c1ccccc1)\[PH+](c1ccccc1)c1ccccc1.Cc1ccnc(-c2cc(CCC3OCCO3)ccn2)c1.[Os].c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C26H22P2.C16H18N2O2.C10H8N2.Os/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;1-12-4-6-17-14(10-12)15-11-13(5-7-18-15)2-3-16-19-8-9-20-16;1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h1-22H;4-7,10-11,16H,2-3,8-9H2,1H3;1-8H;/p+2/b22-21-;;;
InChIKeyJLRKVKJVLJAHCS-FAIYXUOWSA-P
XLogP10.09
TPSA70.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001015.18
LogP ≤ 510.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(1,3-dioxolan-2-yl)ethyl]-2-pyridinyl]-4-methylpyridine;[(Z)-2-diphenylphosphaniumylethenyl]-diphenylphosphanium;osmium;2-pyridin-2-ylpyridine?
The IUPAC name of 2-[4-[2-(1,3-dioxolan-2-yl)ethyl]-2-pyridinyl]-4-methylpyridine;[(Z)-2-diphenylphosphaniumylethenyl]-diphenylphosphanium;osmium;2-pyridin-2-ylpyridine (CID 20811301) is 2-[4-[2-(1,3-dioxolan-2-yl)ethyl]-2-pyridinyl]-4-methylpyridine;[(Z)-2-diphenylphosphaniumylethenyl]-diphenylphosphanium;osmium;2-pyridin-2-ylpyridine.
What is the SMILES notation for 2-[4-[2-(1,3-dioxolan-2-yl)ethyl]-2-pyridinyl]-4-methylpyridine;[(Z)-2-diphenylphosphaniumylethenyl]-diphenylphosphanium;osmium;2-pyridin-2-ylpyridine?
The canonical SMILES for 2-[4-[2-(1,3-dioxolan-2-yl)ethyl]-2-pyridinyl]-4-methylpyridine;[(Z)-2-diphenylphosphaniumylethenyl]-diphenylphosphanium;osmium;2-pyridin-2-ylpyridine is C(=C\[PH+](c1ccccc1)c1ccccc1)\[PH+](c1ccccc1)c1ccccc1.Cc1ccnc(-c2cc(CCC3OCCO3)ccn2)c1.[Os].c1ccc(-c2ccccn2)nc1.
What is the InChIKey of 2-[4-[2-(1,3-dioxolan-2-yl)ethyl]-2-pyridinyl]-4-methylpyridine;[(Z)-2-diphenylphosphaniumylethenyl]-diphenylphosphanium;osmium;2-pyridin-2-ylpyridine?
The InChIKey is JLRKVKJVLJAHCS-FAIYXUOWSA-P. The full InChI is InChI=1S/C26H22P2.C16H18N2O2.C10H8N2.Os/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;1-12-4-6-17-14(10-12)15-11-13(5-7-18-15)2-3-16-19-8-9-20-16;1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h1-22H;4-7,10-11,16H,2-3,8-9H2,1H3;1-8H;/p+2/b22-21-;;;.
What are the key properties of 2-[4-[2-(1,3-dioxolan-2-yl)ethyl]-2-pyridinyl]-4-methylpyridine;[(Z)-2-diphenylphosphaniumylethenyl]-diphenylphosphanium;osmium;2-pyridin-2-ylpyridine?
2-[4-[2-(1,3-dioxolan-2-yl)ethyl]-2-pyridinyl]-4-methylpyridine;[(Z)-2-diphenylphosphaniumylethenyl]-diphenylphosphanium;osmium;2-pyridin-2-ylpyridine has a molecular weight of 1015.18 g/mol, XLogP of 10.09, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(1,3-dioxolan-2-yl)ethyl]-2-pyridinyl]-4-methylpyridine;[(Z)-2-diphenylphosphaniumylethenyl]-diphenylphosphanium;osmium;2-pyridin-2-ylpyridine is sourced from PubChem (CID 20811301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).