2-(3-nitrobenzene-6-id-1-yl)-6-[3-(pyridin-2-ylmethyl)benzene-2-id-1-yl]pyridine;platinum(2+)

C23H15N3O2Pt — CID 58004285

IUPAC2-(3-nitrobenzene-6-id-1-yl)-6-[3-(pyridin-2-ylmethyl)benzene-2-id-1-yl]pyridine;platinum(2+)
SMILESO=[N+]([O-])c1cc[c-]c(-c2cccc(-c3[c-]c(Cc4ccccn4)ccc3)n2)c1.[Pt+2]
InChIInChI=1S/C23H15N3O2.Pt/c27-26(28)21-10-4-8-19(16-21)23-12-5-11-22(25-23)18-7-3-6-17(14-18)15-20-9-1-2-13-24-20;/h1-7,9-13,16H,15H2;/q-2;+2
InChIKeyAKZMGCFSSAQSQV-UHFFFAOYSA-N
MW560.47 g/mol
LogP4.91
Rot. Bonds5

About 2-(3-nitrobenzene-6-id-1-yl)-6-[3-(pyridin-2-ylmethyl)benzene-2-id-1-yl]pyridine;platinum(2+)

2-(3-nitrobenzene-6-id-1-yl)-6-[3-(pyridin-2-ylmethyl)benzene-2-id-1-yl]pyridine;platinum(2+) (PubChem CID 58004285) has the molecular formula C23H15N3O2Pt and a molecular weight of 560.47 g/mol. Its IUPAC name is 2-(3-nitrobenzene-6-id-1-yl)-6-[3-(pyridin-2-ylmethyl)benzene-2-id-1-yl]pyridine;platinum(2+).

Molecular Properties

Compound Name2-(3-nitrobenzene-6-id-1-yl)-6-[3-(pyridin-2-ylmethyl)benzene-2-id-1-yl]pyridine;platinum(2+)
PubChem CID58004285
Molecular FormulaC23H15N3O2Pt
Molecular Weight560.47 g/mol
Exact Mass560.08
IUPAC Name2-(3-nitrobenzene-6-id-1-yl)-6-[3-(pyridin-2-ylmethyl)benzene-2-id-1-yl]pyridine;platinum(2+)
SMILESO=[N+]([O-])c1cc[c-]c(-c2cccc(-c3[c-]c(Cc4ccccn4)ccc3)n2)c1.[Pt+2]
InChIInChI=1S/C23H15N3O2.Pt/c27-26(28)21-10-4-8-19(16-21)23-12-5-11-22(25-23)18-7-3-6-17(14-18)15-20-9-1-2-13-24-20;/h1-7,9-13,16H,15H2;/q-2;+2
InChIKeyAKZMGCFSSAQSQV-UHFFFAOYSA-N
XLogP4.91
TPSA68.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500560.47
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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2-[(5-chloro-2-nitrophenyl)methyl]pyridine
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2-[(3-nitrophenyl)methoxy]pyridine
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osmium(1+);(3-pyridin-2-ylbenzene-4-id-1-yl)methanamine;bis(2-pyridin-2-ylpyridine)
CID 176846109
2-chloro-5-nitro-N-(pyridin-2-ylmethyl)aniline
CID 43718883
2,6-dichloro-4-nitro-N-(pyridin-2-ylmethyl)aniline
CID 104916973
bromonickel;2-phenyl-6-pyridin-2-ylpyridine
CID 153499013
2-chloro-4-nitro-N-(2-pyridin-2-ylethyl)aniline
CID 9282895
2,4-dinitro-N-(pyridin-2-ylmethyl)aniline
CID 3442927
2-(3-phenylbenzene-2-id-1-yl)-6-pyridin-2-ylsulfanylpyridine;platinum(2+)
CID 58871037

Frequently Asked Questions

What is the IUPAC name of 2-(3-nitrobenzene-6-id-1-yl)-6-[3-(pyridin-2-ylmethyl)benzene-2-id-1-yl]pyridine;platinum(2+)?
The IUPAC name of 2-(3-nitrobenzene-6-id-1-yl)-6-[3-(pyridin-2-ylmethyl)benzene-2-id-1-yl]pyridine;platinum(2+) (CID 58004285) is 2-(3-nitrobenzene-6-id-1-yl)-6-[3-(pyridin-2-ylmethyl)benzene-2-id-1-yl]pyridine;platinum(2+).
What is the SMILES notation for 2-(3-nitrobenzene-6-id-1-yl)-6-[3-(pyridin-2-ylmethyl)benzene-2-id-1-yl]pyridine;platinum(2+)?
The canonical SMILES for 2-(3-nitrobenzene-6-id-1-yl)-6-[3-(pyridin-2-ylmethyl)benzene-2-id-1-yl]pyridine;platinum(2+) is O=[N+]([O-])c1cc[c-]c(-c2cccc(-c3[c-]c(Cc4ccccn4)ccc3)n2)c1.[Pt+2].
What is the InChIKey of 2-(3-nitrobenzene-6-id-1-yl)-6-[3-(pyridin-2-ylmethyl)benzene-2-id-1-yl]pyridine;platinum(2+)?
The InChIKey is AKZMGCFSSAQSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15N3O2.Pt/c27-26(28)21-10-4-8-19(16-21)23-12-5-11-22(25-23)18-7-3-6-17(14-18)15-20-9-1-2-13-24-20;/h1-7,9-13,16H,15H2;/q-2;+2.
What are the key properties of 2-(3-nitrobenzene-6-id-1-yl)-6-[3-(pyridin-2-ylmethyl)benzene-2-id-1-yl]pyridine;platinum(2+)?
2-(3-nitrobenzene-6-id-1-yl)-6-[3-(pyridin-2-ylmethyl)benzene-2-id-1-yl]pyridine;platinum(2+) has a molecular weight of 560.47 g/mol, XLogP of 4.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-nitrobenzene-6-id-1-yl)-6-[3-(pyridin-2-ylmethyl)benzene-2-id-1-yl]pyridine;platinum(2+) is sourced from PubChem (CID 58004285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).