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

C53H52N4O2OsP2+2 — CID 20705018

IUPAC2-[4-[3-(1,3-dioxolan-2-yl)propyl]-2-pyridinyl]-4-methylpyridine;[(Z)-2-diphenylphosphaniumylethenyl]-diphenylphosphanium;osmium;2-pyridin-2-ylpyridine
SMILESC(=C\[PH+](c1ccccc1)c1ccccc1)\[PH+](c1ccccc1)c1ccccc1.Cc1ccnc(-c2cc(CCCC3OCCO3)ccn2)c1.[Os].c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C26H22P2.C17H20N2O2.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;1-13-5-7-18-15(11-13)16-12-14(6-8-19-16)3-2-4-17-20-9-10-21-17;1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h1-22H;5-8,11-12,17H,2-4,9-10H2,1H3;1-8H;/p+2/b22-21-;;;
InChIKeyUGKXADMBUGWAGC-FAIYXUOWSA-P
MW1029.20 g/mol
LogP10.48
Rot. Bonds12

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

2-[4-[3-(1,3-dioxolan-2-yl)propyl]-2-pyridinyl]-4-methylpyridine;[(Z)-2-diphenylphosphaniumylethenyl]-diphenylphosphanium;osmium;2-pyridin-2-ylpyridine (PubChem CID 20705018) has the molecular formula C53H52N4O2OsP2+2 and a molecular weight of 1029.20 g/mol. Its IUPAC name is 2-[4-[3-(1,3-dioxolan-2-yl)propyl]-2-pyridinyl]-4-methylpyridine;[(Z)-2-diphenylphosphaniumylethenyl]-diphenylphosphanium;osmium;2-pyridin-2-ylpyridine.

Molecular Properties

Compound Name2-[4-[3-(1,3-dioxolan-2-yl)propyl]-2-pyridinyl]-4-methylpyridine;[(Z)-2-diphenylphosphaniumylethenyl]-diphenylphosphanium;osmium;2-pyridin-2-ylpyridine
PubChem CID20705018
Molecular FormulaC53H52N4O2OsP2+2
Molecular Weight1029.20 g/mol
Exact Mass1030.32
IUPAC Name2-[4-[3-(1,3-dioxolan-2-yl)propyl]-2-pyridinyl]-4-methylpyridine;[(Z)-2-diphenylphosphaniumylethenyl]-diphenylphosphanium;osmium;2-pyridin-2-ylpyridine
SMILESC(=C\[PH+](c1ccccc1)c1ccccc1)\[PH+](c1ccccc1)c1ccccc1.Cc1ccnc(-c2cc(CCCC3OCCO3)ccn2)c1.[Os].c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C26H22P2.C17H20N2O2.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;1-13-5-7-18-15(11-13)16-12-14(6-8-19-16)3-2-4-17-20-9-10-21-17;1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h1-22H;5-8,11-12,17H,2-4,9-10H2,1H3;1-8H;/p+2/b22-21-;;;
InChIKeyUGKXADMBUGWAGC-FAIYXUOWSA-P
XLogP10.48
TPSA70.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001029.20
LogP ≤ 510.48
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-[3-(1,3-dioxolan-2-yl)propyl]-2-pyridinyl]-4-methylpyridine;[(Z)-2-diphenylphosphaniumylethenyl]-diphenylphosphanium;osmium;2-pyridin-2-ylpyridine?
The IUPAC name of 2-[4-[3-(1,3-dioxolan-2-yl)propyl]-2-pyridinyl]-4-methylpyridine;[(Z)-2-diphenylphosphaniumylethenyl]-diphenylphosphanium;osmium;2-pyridin-2-ylpyridine (CID 20705018) is 2-[4-[3-(1,3-dioxolan-2-yl)propyl]-2-pyridinyl]-4-methylpyridine;[(Z)-2-diphenylphosphaniumylethenyl]-diphenylphosphanium;osmium;2-pyridin-2-ylpyridine.
What is the SMILES notation for 2-[4-[3-(1,3-dioxolan-2-yl)propyl]-2-pyridinyl]-4-methylpyridine;[(Z)-2-diphenylphosphaniumylethenyl]-diphenylphosphanium;osmium;2-pyridin-2-ylpyridine?
The canonical SMILES for 2-[4-[3-(1,3-dioxolan-2-yl)propyl]-2-pyridinyl]-4-methylpyridine;[(Z)-2-diphenylphosphaniumylethenyl]-diphenylphosphanium;osmium;2-pyridin-2-ylpyridine is C(=C\[PH+](c1ccccc1)c1ccccc1)\[PH+](c1ccccc1)c1ccccc1.Cc1ccnc(-c2cc(CCCC3OCCO3)ccn2)c1.[Os].c1ccc(-c2ccccn2)nc1.
What is the InChIKey of 2-[4-[3-(1,3-dioxolan-2-yl)propyl]-2-pyridinyl]-4-methylpyridine;[(Z)-2-diphenylphosphaniumylethenyl]-diphenylphosphanium;osmium;2-pyridin-2-ylpyridine?
The InChIKey is UGKXADMBUGWAGC-FAIYXUOWSA-P. The full InChI is InChI=1S/C26H22P2.C17H20N2O2.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;1-13-5-7-18-15(11-13)16-12-14(6-8-19-16)3-2-4-17-20-9-10-21-17;1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h1-22H;5-8,11-12,17H,2-4,9-10H2,1H3;1-8H;/p+2/b22-21-;;;.
What are the key properties of 2-[4-[3-(1,3-dioxolan-2-yl)propyl]-2-pyridinyl]-4-methylpyridine;[(Z)-2-diphenylphosphaniumylethenyl]-diphenylphosphanium;osmium;2-pyridin-2-ylpyridine?
2-[4-[3-(1,3-dioxolan-2-yl)propyl]-2-pyridinyl]-4-methylpyridine;[(Z)-2-diphenylphosphaniumylethenyl]-diphenylphosphanium;osmium;2-pyridin-2-ylpyridine has a molecular weight of 1029.20 g/mol, XLogP of 10.48, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(1,3-dioxolan-2-yl)propyl]-2-pyridinyl]-4-methylpyridine;[(Z)-2-diphenylphosphaniumylethenyl]-diphenylphosphanium;osmium;2-pyridin-2-ylpyridine is sourced from PubChem (CID 20705018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).