2-phenyl-6-pyridin-2-ylpyridine;2-N-phenyl-6-pyridin-4-yl-1,3,5-triazine-2,4-diamine;platinum(2+)

C30H23N8Pt+ — CID 139253255

IUPAC2-phenyl-6-pyridin-2-ylpyridine;2-N-phenyl-6-pyridin-4-yl-1,3,5-triazine-2,4-diamine;platinum(2+)
SMILESNc1nc(Nc2ccccc2)nc(-c2ccncc2)n1.[Pt+2].[c-]1ccccc1-c1cccc(-c2ccccn2)n1
InChIInChI=1S/C16H11N2.C14H12N6.Pt/c1-2-7-13(8-3-1)14-10-6-11-16(18-14)15-9-4-5-12-17-15;15-13-18-12(10-6-8-16-9-7-10)19-14(20-13)17-11-4-2-1-3-5-11;/h1-7,9-12H;1-9H,(H3,15,17,18,19,20);/q-1;;+2
InChIKeyCZZIFUOWWUIDTA-UHFFFAOYSA-N
MW690.65 g/mol
LogP5.87
Rot. Bonds5

About 2-phenyl-6-pyridin-2-ylpyridine;2-N-phenyl-6-pyridin-4-yl-1,3,5-triazine-2,4-diamine;platinum(2+)

2-phenyl-6-pyridin-2-ylpyridine;2-N-phenyl-6-pyridin-4-yl-1,3,5-triazine-2,4-diamine;platinum(2+) (PubChem CID 139253255) has the molecular formula C30H23N8Pt+ and a molecular weight of 690.65 g/mol. Its IUPAC name is 2-phenyl-6-pyridin-2-ylpyridine;2-N-phenyl-6-pyridin-4-yl-1,3,5-triazine-2,4-diamine;platinum(2+).

Molecular Properties

Compound Name2-phenyl-6-pyridin-2-ylpyridine;2-N-phenyl-6-pyridin-4-yl-1,3,5-triazine-2,4-diamine;platinum(2+)
PubChem CID139253255
Molecular FormulaC30H23N8Pt+
Molecular Weight690.65 g/mol
Exact Mass690.17
IUPAC Name2-phenyl-6-pyridin-2-ylpyridine;2-N-phenyl-6-pyridin-4-yl-1,3,5-triazine-2,4-diamine;platinum(2+)
SMILESNc1nc(Nc2ccccc2)nc(-c2ccncc2)n1.[Pt+2].[c-]1ccccc1-c1cccc(-c2ccccn2)n1
InChIInChI=1S/C16H11N2.C14H12N6.Pt/c1-2-7-13(8-3-1)14-10-6-11-16(18-14)15-9-4-5-12-17-15;15-13-18-12(10-6-8-16-9-7-10)19-14(20-13)17-11-4-2-1-3-5-11;/h1-7,9-12H;1-9H,(H3,15,17,18,19,20);/q-1;;+2
InChIKeyCZZIFUOWWUIDTA-UHFFFAOYSA-N
XLogP5.87
TPSA115.39 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms39
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.65
LogP ≤ 55.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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 2-phenyl-6-pyridin-2-ylpyridine;2-N-phenyl-6-pyridin-4-yl-1,3,5-triazine-2,4-diamine;platinum(2+)?
The IUPAC name of 2-phenyl-6-pyridin-2-ylpyridine;2-N-phenyl-6-pyridin-4-yl-1,3,5-triazine-2,4-diamine;platinum(2+) (CID 139253255) is 2-phenyl-6-pyridin-2-ylpyridine;2-N-phenyl-6-pyridin-4-yl-1,3,5-triazine-2,4-diamine;platinum(2+).
What is the SMILES notation for 2-phenyl-6-pyridin-2-ylpyridine;2-N-phenyl-6-pyridin-4-yl-1,3,5-triazine-2,4-diamine;platinum(2+)?
The canonical SMILES for 2-phenyl-6-pyridin-2-ylpyridine;2-N-phenyl-6-pyridin-4-yl-1,3,5-triazine-2,4-diamine;platinum(2+) is Nc1nc(Nc2ccccc2)nc(-c2ccncc2)n1.[Pt+2].[c-]1ccccc1-c1cccc(-c2ccccn2)n1.
What is the InChIKey of 2-phenyl-6-pyridin-2-ylpyridine;2-N-phenyl-6-pyridin-4-yl-1,3,5-triazine-2,4-diamine;platinum(2+)?
The InChIKey is CZZIFUOWWUIDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N2.C14H12N6.Pt/c1-2-7-13(8-3-1)14-10-6-11-16(18-14)15-9-4-5-12-17-15;15-13-18-12(10-6-8-16-9-7-10)19-14(20-13)17-11-4-2-1-3-5-11;/h1-7,9-12H;1-9H,(H3,15,17,18,19,20);/q-1;;+2.
What are the key properties of 2-phenyl-6-pyridin-2-ylpyridine;2-N-phenyl-6-pyridin-4-yl-1,3,5-triazine-2,4-diamine;platinum(2+)?
2-phenyl-6-pyridin-2-ylpyridine;2-N-phenyl-6-pyridin-4-yl-1,3,5-triazine-2,4-diamine;platinum(2+) has a molecular weight of 690.65 g/mol, XLogP of 5.87, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-6-pyridin-2-ylpyridine;2-N-phenyl-6-pyridin-4-yl-1,3,5-triazine-2,4-diamine;platinum(2+) is sourced from PubChem (CID 139253255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).