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2,4-ditert-butyl-6-phenylazanidylphenolate;platinum(2+);2-pyridin-2-ylpyridine

C30H33N3OPt — CID 139133130

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2,4-ditert-butyl-6-phenylazanidylphenolate;platinum(2+);2-pyridin-2-ylpyridine
SMILESCC(C)(C)c1cc([N-]c2ccccc2)c([O-])c(C(C)(C)C)c1.[Pt+2].c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C20H26NO.C10H8N2.Pt/c1-19(2,3)14-12-16(20(4,5)6)18(22)17(13-14)21-15-10-8-7-9-11-15;1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h7-13,22H,1-6H3;1-8H;/q-1;;+2/p-1
InChIKeyYERKETXEHAMQAM-UHFFFAOYSA-M
MW646.69 g/mol
LogP7.83
Rot. Bonds3

About 2,4-ditert-butyl-6-phenylazanidylphenolate;platinum(2+);2-pyridin-2-ylpyridine

2,4-ditert-butyl-6-phenylazanidylphenolate;platinum(2+);2-pyridin-2-ylpyridine (PubChem CID 139133130) has the molecular formula C30H33N3OPt and a molecular weight of 646.69 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-phenylazanidylphenolate;platinum(2+);2-pyridin-2-ylpyridine.

Molecular Properties

Compound Name2,4-ditert-butyl-6-phenylazanidylphenolate;platinum(2+);2-pyridin-2-ylpyridine
PubChem CID139133130
Molecular FormulaC30H33N3OPt
Molecular Weight646.69 g/mol
Exact Mass646.23
IUPAC Name2,4-ditert-butyl-6-phenylazanidylphenolate;platinum(2+);2-pyridin-2-ylpyridine
SMILESCC(C)(C)c1cc([N-]c2ccccc2)c([O-])c(C(C)(C)C)c1.[Pt+2].c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C20H26NO.C10H8N2.Pt/c1-19(2,3)14-12-16(20(4,5)6)18(22)17(13-14)21-15-10-8-7-9-11-15;1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h7-13,22H,1-6H3;1-8H;/q-1;;+2/p-1
InChIKeyYERKETXEHAMQAM-UHFFFAOYSA-M
XLogP7.83
TPSA62.94 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500646.69
LogP ≤ 57.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-phenylazanidylphenolate;platinum(2+);2-pyridin-2-ylpyridine?
The IUPAC name of 2,4-ditert-butyl-6-phenylazanidylphenolate;platinum(2+);2-pyridin-2-ylpyridine (CID 139133130) is 2,4-ditert-butyl-6-phenylazanidylphenolate;platinum(2+);2-pyridin-2-ylpyridine.
What is the SMILES notation for 2,4-ditert-butyl-6-phenylazanidylphenolate;platinum(2+);2-pyridin-2-ylpyridine?
The canonical SMILES for 2,4-ditert-butyl-6-phenylazanidylphenolate;platinum(2+);2-pyridin-2-ylpyridine is CC(C)(C)c1cc([N-]c2ccccc2)c([O-])c(C(C)(C)C)c1.[Pt+2].c1ccc(-c2ccccn2)nc1.
What is the InChIKey of 2,4-ditert-butyl-6-phenylazanidylphenolate;platinum(2+);2-pyridin-2-ylpyridine?
The InChIKey is YERKETXEHAMQAM-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H26NO.C10H8N2.Pt/c1-19(2,3)14-12-16(20(4,5)6)18(22)17(13-14)21-15-10-8-7-9-11-15;1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h7-13,22H,1-6H3;1-8H;/q-1;;+2/p-1.
What are the key properties of 2,4-ditert-butyl-6-phenylazanidylphenolate;platinum(2+);2-pyridin-2-ylpyridine?
2,4-ditert-butyl-6-phenylazanidylphenolate;platinum(2+);2-pyridin-2-ylpyridine has a molecular weight of 646.69 g/mol, XLogP of 7.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-6-phenylazanidylphenolate;platinum(2+);2-pyridin-2-ylpyridine is sourced from PubChem (CID 139133130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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