3-phenyl-2-[2-[2-[2-(3-phenyl-2-pyridinyl)ethenyl]phenyl]ethenyl]pyridine;platinum(2+)

C32H22N2Pt — CID 58251369

IUPAC3-phenyl-2-[2-[2-[2-(3-phenyl-2-pyridinyl)ethenyl]phenyl]ethenyl]pyridine;platinum(2+)
SMILES[C-](=C/c1ncccc1-c1ccccc1)\c1ccccc1/[C-]=C/c1ncccc1-c1ccccc1.[Pt+2]
InChIInChI=1S/C32H22N2.Pt/c1-3-13-27(14-4-1)29-17-9-23-33-31(29)21-19-25-11-7-8-12-26(25)20-22-32-30(18-10-24-34-32)28-15-5-2-6-16-28;/h1-18,21-24H;/q-2;+2
InChIKeyNRMDTJGGWPRNGO-UHFFFAOYSA-N
MW629.62 g/mol
LogP7.54
Rot. Bonds6

About 3-phenyl-2-[2-[2-[2-(3-phenyl-2-pyridinyl)ethenyl]phenyl]ethenyl]pyridine;platinum(2+)

3-phenyl-2-[2-[2-[2-(3-phenyl-2-pyridinyl)ethenyl]phenyl]ethenyl]pyridine;platinum(2+) (PubChem CID 58251369) has the molecular formula C32H22N2Pt and a molecular weight of 629.62 g/mol. Its IUPAC name is 3-phenyl-2-[2-[2-[2-(3-phenyl-2-pyridinyl)ethenyl]phenyl]ethenyl]pyridine;platinum(2+).

Molecular Properties

Compound Name3-phenyl-2-[2-[2-[2-(3-phenyl-2-pyridinyl)ethenyl]phenyl]ethenyl]pyridine;platinum(2+)
PubChem CID58251369
Molecular FormulaC32H22N2Pt
Molecular Weight629.62 g/mol
Exact Mass629.14
IUPAC Name3-phenyl-2-[2-[2-[2-(3-phenyl-2-pyridinyl)ethenyl]phenyl]ethenyl]pyridine;platinum(2+)
SMILES[C-](=C/c1ncccc1-c1ccccc1)\c1ccccc1/[C-]=C/c1ncccc1-c1ccccc1.[Pt+2]
InChIInChI=1S/C32H22N2.Pt/c1-3-13-27(14-4-1)29-17-9-23-33-31(29)21-19-25-11-7-8-12-26(25)20-22-32-30(18-10-24-34-32)28-15-5-2-6-16-28;/h1-18,21-24H;/q-2;+2
InChIKeyNRMDTJGGWPRNGO-UHFFFAOYSA-N
XLogP7.54
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms35
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500629.62
LogP ≤ 57.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-[2-[2-[2-(3-phenyl-2-pyridinyl)ethenyl]phenyl]ethenyl]pyridine;platinum(2+)?
The IUPAC name of 3-phenyl-2-[2-[2-[2-(3-phenyl-2-pyridinyl)ethenyl]phenyl]ethenyl]pyridine;platinum(2+) (CID 58251369) is 3-phenyl-2-[2-[2-[2-(3-phenyl-2-pyridinyl)ethenyl]phenyl]ethenyl]pyridine;platinum(2+).
What is the SMILES notation for 3-phenyl-2-[2-[2-[2-(3-phenyl-2-pyridinyl)ethenyl]phenyl]ethenyl]pyridine;platinum(2+)?
The canonical SMILES for 3-phenyl-2-[2-[2-[2-(3-phenyl-2-pyridinyl)ethenyl]phenyl]ethenyl]pyridine;platinum(2+) is [C-](=C/c1ncccc1-c1ccccc1)\c1ccccc1/[C-]=C/c1ncccc1-c1ccccc1.[Pt+2].
What is the InChIKey of 3-phenyl-2-[2-[2-[2-(3-phenyl-2-pyridinyl)ethenyl]phenyl]ethenyl]pyridine;platinum(2+)?
The InChIKey is NRMDTJGGWPRNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22N2.Pt/c1-3-13-27(14-4-1)29-17-9-23-33-31(29)21-19-25-11-7-8-12-26(25)20-22-32-30(18-10-24-34-32)28-15-5-2-6-16-28;/h1-18,21-24H;/q-2;+2.
What are the key properties of 3-phenyl-2-[2-[2-[2-(3-phenyl-2-pyridinyl)ethenyl]phenyl]ethenyl]pyridine;platinum(2+)?
3-phenyl-2-[2-[2-[2-(3-phenyl-2-pyridinyl)ethenyl]phenyl]ethenyl]pyridine;platinum(2+) has a molecular weight of 629.62 g/mol, XLogP of 7.54, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-[2-[2-[2-(3-phenyl-2-pyridinyl)ethenyl]phenyl]ethenyl]pyridine;platinum(2+) is sourced from PubChem (CID 58251369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).