N-tert-butyl-3-pyrazol-1-yl-N-(3-pyrazol-1-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;platinum(2+)

C22H21N5Pt — CID 58704299

IUPACN-tert-butyl-3-pyrazol-1-yl-N-(3-pyrazol-1-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;platinum(2+)
SMILESCC(C)(C)N(c1[c-]c(-n2cccn2)ccc1)c1[c-]c(-n2cccn2)ccc1.[Pt+2]
InChIInChI=1S/C22H21N5.Pt/c1-22(2,3)27(20-10-4-8-18(16-20)25-14-6-12-23-25)21-11-5-9-19(17-21)26-15-7-13-24-26;/h4-15H,1-3H3;/q-2;+2
InChIKeyVOXSCNZEJFPXHG-UHFFFAOYSA-N
MW550.52 g/mol
LogP4.59
Rot. Bonds4

About N-tert-butyl-3-pyrazol-1-yl-N-(3-pyrazol-1-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;platinum(2+)

N-tert-butyl-3-pyrazol-1-yl-N-(3-pyrazol-1-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;platinum(2+) (PubChem CID 58704299) has the molecular formula C22H21N5Pt and a molecular weight of 550.52 g/mol. Its IUPAC name is N-tert-butyl-3-pyrazol-1-yl-N-(3-pyrazol-1-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;platinum(2+).

Molecular Properties

Compound NameN-tert-butyl-3-pyrazol-1-yl-N-(3-pyrazol-1-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;platinum(2+)
PubChem CID58704299
Molecular FormulaC22H21N5Pt
Molecular Weight550.52 g/mol
Exact Mass550.14
IUPAC NameN-tert-butyl-3-pyrazol-1-yl-N-(3-pyrazol-1-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;platinum(2+)
SMILESCC(C)(C)N(c1[c-]c(-n2cccn2)ccc1)c1[c-]c(-n2cccn2)ccc1.[Pt+2]
InChIInChI=1S/C22H21N5.Pt/c1-22(2,3)27(20-10-4-8-18(16-20)25-14-6-12-23-25)21-11-5-9-19(17-21)26-15-7-13-24-26;/h4-15H,1-3H3;/q-2;+2
InChIKeyVOXSCNZEJFPXHG-UHFFFAOYSA-N
XLogP4.59
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500550.52
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 N-tert-butyl-3-pyrazol-1-yl-N-(3-pyrazol-1-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;platinum(2+)?
The IUPAC name of N-tert-butyl-3-pyrazol-1-yl-N-(3-pyrazol-1-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;platinum(2+) (CID 58704299) is N-tert-butyl-3-pyrazol-1-yl-N-(3-pyrazol-1-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;platinum(2+).
What is the SMILES notation for N-tert-butyl-3-pyrazol-1-yl-N-(3-pyrazol-1-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;platinum(2+)?
The canonical SMILES for N-tert-butyl-3-pyrazol-1-yl-N-(3-pyrazol-1-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;platinum(2+) is CC(C)(C)N(c1[c-]c(-n2cccn2)ccc1)c1[c-]c(-n2cccn2)ccc1.[Pt+2].
What is the InChIKey of N-tert-butyl-3-pyrazol-1-yl-N-(3-pyrazol-1-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;platinum(2+)?
The InChIKey is VOXSCNZEJFPXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5.Pt/c1-22(2,3)27(20-10-4-8-18(16-20)25-14-6-12-23-25)21-11-5-9-19(17-21)26-15-7-13-24-26;/h4-15H,1-3H3;/q-2;+2.
What are the key properties of N-tert-butyl-3-pyrazol-1-yl-N-(3-pyrazol-1-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;platinum(2+)?
N-tert-butyl-3-pyrazol-1-yl-N-(3-pyrazol-1-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;platinum(2+) has a molecular weight of 550.52 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-pyrazol-1-yl-N-(3-pyrazol-1-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;platinum(2+) is sourced from PubChem (CID 58704299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).