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

C51H48N4O2OsP2+2 — CID 20705016

IUPAC2-[4-(1,3-dioxolan-2-ylmethyl)-2-pyridinyl]-4-methylpyridine;[(Z)-2-diphenylphosphaniumylethenyl]-diphenylphosphanium;osmium;2-pyridin-2-ylpyridine
SMILESC(=C\[PH+](c1ccccc1)c1ccccc1)\[PH+](c1ccccc1)c1ccccc1.Cc1ccnc(-c2cc(CC3OCCO3)ccn2)c1.[Os].c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C26H22P2.C15H16N2O2.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;1-11-2-4-16-13(8-11)14-9-12(3-5-17-14)10-15-18-6-7-19-15;1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h1-22H;2-5,8-9,15H,6-7,10H2,1H3;1-8H;/p+2/b22-21-;;;
InChIKeyKBHGIPSMAMOLFB-FAIYXUOWSA-P
MW1001.15 g/mol
LogP9.70
Rot. Bonds10

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

2-[4-(1,3-dioxolan-2-ylmethyl)-2-pyridinyl]-4-methylpyridine;[(Z)-2-diphenylphosphaniumylethenyl]-diphenylphosphanium;osmium;2-pyridin-2-ylpyridine (PubChem CID 20705016) has the molecular formula C51H48N4O2OsP2+2 and a molecular weight of 1001.15 g/mol. Its IUPAC name is 2-[4-(1,3-dioxolan-2-ylmethyl)-2-pyridinyl]-4-methylpyridine;[(Z)-2-diphenylphosphaniumylethenyl]-diphenylphosphanium;osmium;2-pyridin-2-ylpyridine.

Molecular Properties

Compound Name2-[4-(1,3-dioxolan-2-ylmethyl)-2-pyridinyl]-4-methylpyridine;[(Z)-2-diphenylphosphaniumylethenyl]-diphenylphosphanium;osmium;2-pyridin-2-ylpyridine
PubChem CID20705016
Molecular FormulaC51H48N4O2OsP2+2
Molecular Weight1001.15 g/mol
Exact Mass1002.29
IUPAC Name2-[4-(1,3-dioxolan-2-ylmethyl)-2-pyridinyl]-4-methylpyridine;[(Z)-2-diphenylphosphaniumylethenyl]-diphenylphosphanium;osmium;2-pyridin-2-ylpyridine
SMILESC(=C\[PH+](c1ccccc1)c1ccccc1)\[PH+](c1ccccc1)c1ccccc1.Cc1ccnc(-c2cc(CC3OCCO3)ccn2)c1.[Os].c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C26H22P2.C15H16N2O2.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;1-11-2-4-16-13(8-11)14-9-12(3-5-17-14)10-15-18-6-7-19-15;1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h1-22H;2-5,8-9,15H,6-7,10H2,1H3;1-8H;/p+2/b22-21-;;;
InChIKeyKBHGIPSMAMOLFB-FAIYXUOWSA-P
XLogP9.70
TPSA70.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001001.15
LogP ≤ 59.70
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-(1,3-dioxolan-2-ylmethyl)-2-pyridinyl]-4-methylpyridine;[(Z)-2-diphenylphosphaniumylethenyl]-diphenylphosphanium;osmium;2-pyridin-2-ylpyridine?
The IUPAC name of 2-[4-(1,3-dioxolan-2-ylmethyl)-2-pyridinyl]-4-methylpyridine;[(Z)-2-diphenylphosphaniumylethenyl]-diphenylphosphanium;osmium;2-pyridin-2-ylpyridine (CID 20705016) is 2-[4-(1,3-dioxolan-2-ylmethyl)-2-pyridinyl]-4-methylpyridine;[(Z)-2-diphenylphosphaniumylethenyl]-diphenylphosphanium;osmium;2-pyridin-2-ylpyridine.
What is the SMILES notation for 2-[4-(1,3-dioxolan-2-ylmethyl)-2-pyridinyl]-4-methylpyridine;[(Z)-2-diphenylphosphaniumylethenyl]-diphenylphosphanium;osmium;2-pyridin-2-ylpyridine?
The canonical SMILES for 2-[4-(1,3-dioxolan-2-ylmethyl)-2-pyridinyl]-4-methylpyridine;[(Z)-2-diphenylphosphaniumylethenyl]-diphenylphosphanium;osmium;2-pyridin-2-ylpyridine is C(=C\[PH+](c1ccccc1)c1ccccc1)\[PH+](c1ccccc1)c1ccccc1.Cc1ccnc(-c2cc(CC3OCCO3)ccn2)c1.[Os].c1ccc(-c2ccccn2)nc1.
What is the InChIKey of 2-[4-(1,3-dioxolan-2-ylmethyl)-2-pyridinyl]-4-methylpyridine;[(Z)-2-diphenylphosphaniumylethenyl]-diphenylphosphanium;osmium;2-pyridin-2-ylpyridine?
The InChIKey is KBHGIPSMAMOLFB-FAIYXUOWSA-P. The full InChI is InChI=1S/C26H22P2.C15H16N2O2.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;1-11-2-4-16-13(8-11)14-9-12(3-5-17-14)10-15-18-6-7-19-15;1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h1-22H;2-5,8-9,15H,6-7,10H2,1H3;1-8H;/p+2/b22-21-;;;.
What are the key properties of 2-[4-(1,3-dioxolan-2-ylmethyl)-2-pyridinyl]-4-methylpyridine;[(Z)-2-diphenylphosphaniumylethenyl]-diphenylphosphanium;osmium;2-pyridin-2-ylpyridine?
2-[4-(1,3-dioxolan-2-ylmethyl)-2-pyridinyl]-4-methylpyridine;[(Z)-2-diphenylphosphaniumylethenyl]-diphenylphosphanium;osmium;2-pyridin-2-ylpyridine has a molecular weight of 1001.15 g/mol, XLogP of 9.70, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-dioxolan-2-ylmethyl)-2-pyridinyl]-4-methylpyridine;[(Z)-2-diphenylphosphaniumylethenyl]-diphenylphosphanium;osmium;2-pyridin-2-ylpyridine is sourced from PubChem (CID 20705016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).