2-(benzo[d][1,3,2]benzodioxaphosphepin-6-ium-6-ylmethyl)-6-phenylpyridine;osmium(1+)

C24H18NO2OsP+ — CID 140807958

IUPAC2-(benzo[d][1,3,2]benzodioxaphosphepin-6-ium-6-ylmethyl)-6-phenylpyridine;osmium(1+)
SMILES[Os+].[c-]1ccccc1-c1cccc(C[PH+]2Oc3ccccc3-c3ccccc3O2)n1
InChIInChI=1S/C24H17NO2P.Os/c1-2-9-18(10-3-1)22-14-8-11-19(25-22)17-28-26-23-15-6-4-12-20(23)21-13-5-7-16-24(21)27-28;/h1-9,11-16H,17H2;/q-1;+1/p+1
InChIKeyBPFAVCKHOXKJAM-UHFFFAOYSA-O
MW573.62 g/mol
LogP6.23
Rot. Bonds3

About 2-(benzo[d][1,3,2]benzodioxaphosphepin-6-ium-6-ylmethyl)-6-phenylpyridine;osmium(1+)

2-(benzo[d][1,3,2]benzodioxaphosphepin-6-ium-6-ylmethyl)-6-phenylpyridine;osmium(1+) (PubChem CID 140807958) has the molecular formula C24H18NO2OsP+ and a molecular weight of 573.62 g/mol. Its IUPAC name is 2-(benzo[d][1,3,2]benzodioxaphosphepin-6-ium-6-ylmethyl)-6-phenylpyridine;osmium(1+).

Molecular Properties

Compound Name2-(benzo[d][1,3,2]benzodioxaphosphepin-6-ium-6-ylmethyl)-6-phenylpyridine;osmium(1+)
PubChem CID140807958
Molecular FormulaC24H18NO2OsP+
Molecular Weight573.62 g/mol
Exact Mass575.07
IUPAC Name2-(benzo[d][1,3,2]benzodioxaphosphepin-6-ium-6-ylmethyl)-6-phenylpyridine;osmium(1+)
SMILES[Os+].[c-]1ccccc1-c1cccc(C[PH+]2Oc3ccccc3-c3ccccc3O2)n1
InChIInChI=1S/C24H17NO2P.Os/c1-2-9-18(10-3-1)22-14-8-11-19(25-22)17-28-26-23-15-6-4-12-20(23)21-13-5-7-16-24(21)27-28;/h1-9,11-16H,17H2;/q-1;+1/p+1
InChIKeyBPFAVCKHOXKJAM-UHFFFAOYSA-O
XLogP6.23
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.62
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(benzo[d][1,3,2]benzodioxaphosphepin-6-ium-6-ylmethyl)-6-phenylpyridine;osmium(1+) with MolForge

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Related Compounds

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CID 153499161
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CID 153499114
CID 153499114
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CID 140652480
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bromonickel;2-phenyl-6-pyridin-2-ylpyridine
CID 153499013
6-diphenylphosphanylhexyl(diphenyl)phosphane;bis(2,6-di(phenyl)pyridine);bis(gold(3+))
CID 25131993
2-[2,2-bis(4-naphthalen-1-ylnaphthalen-1-yl)-1-(6-phenyl-2-pyridinyl)ethenyl]-6-phenylpyridine;platinum(2+)
CID 155620139
2-phenyl-6-[phenyl-(6-phenyl-2-pyridinyl)methyl]pyridine;platinum(2+)
CID 59434494
iridium;tris(2-phenylpyridine)
CID 23386734
CID 59340238
CID 59340238

Frequently Asked Questions

What is the IUPAC name of 2-(benzo[d][1,3,2]benzodioxaphosphepin-6-ium-6-ylmethyl)-6-phenylpyridine;osmium(1+)?
The IUPAC name of 2-(benzo[d][1,3,2]benzodioxaphosphepin-6-ium-6-ylmethyl)-6-phenylpyridine;osmium(1+) (CID 140807958) is 2-(benzo[d][1,3,2]benzodioxaphosphepin-6-ium-6-ylmethyl)-6-phenylpyridine;osmium(1+).
What is the SMILES notation for 2-(benzo[d][1,3,2]benzodioxaphosphepin-6-ium-6-ylmethyl)-6-phenylpyridine;osmium(1+)?
The canonical SMILES for 2-(benzo[d][1,3,2]benzodioxaphosphepin-6-ium-6-ylmethyl)-6-phenylpyridine;osmium(1+) is [Os+].[c-]1ccccc1-c1cccc(C[PH+]2Oc3ccccc3-c3ccccc3O2)n1.
What is the InChIKey of 2-(benzo[d][1,3,2]benzodioxaphosphepin-6-ium-6-ylmethyl)-6-phenylpyridine;osmium(1+)?
The InChIKey is BPFAVCKHOXKJAM-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H17NO2P.Os/c1-2-9-18(10-3-1)22-14-8-11-19(25-22)17-28-26-23-15-6-4-12-20(23)21-13-5-7-16-24(21)27-28;/h1-9,11-16H,17H2;/q-1;+1/p+1.
What are the key properties of 2-(benzo[d][1,3,2]benzodioxaphosphepin-6-ium-6-ylmethyl)-6-phenylpyridine;osmium(1+)?
2-(benzo[d][1,3,2]benzodioxaphosphepin-6-ium-6-ylmethyl)-6-phenylpyridine;osmium(1+) has a molecular weight of 573.62 g/mol, XLogP of 6.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzo[d][1,3,2]benzodioxaphosphepin-6-ium-6-ylmethyl)-6-phenylpyridine;osmium(1+) is sourced from PubChem (CID 140807958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).