5-tert-butyl-N-(5-tert-butyl-1-phenylpyrazol-3-yl)-N-phenyl-1-phenylpyrazol-3-amine;platinum(2+)

C32H33N5Pt — CID 59661053

IUPAC5-tert-butyl-N-(5-tert-butyl-1-phenylpyrazol-3-yl)-N-phenyl-1-phenylpyrazol-3-amine;platinum(2+)
SMILESCC(C)(C)c1cc(N(c2ccccc2)c2cc(C(C)(C)C)n(-c3[c-]cccc3)n2)nn1-c1[c-]cccc1.[Pt+2]
InChIInChI=1S/C32H33N5.Pt/c1-31(2,3)27-22-29(33-36(27)25-18-12-8-13-19-25)35(24-16-10-7-11-17-24)30-23-28(32(4,5)6)37(34-30)26-20-14-9-15-21-26;/h7-18,20,22-23H,1-6H3;/q-2;+2
InChIKeyJATALOFPRHUPSJ-UHFFFAOYSA-N
MW682.73 g/mol
LogP7.72
Rot. Bonds5

About 5-tert-butyl-N-(5-tert-butyl-1-phenylpyrazol-3-yl)-N-phenyl-1-phenylpyrazol-3-amine;platinum(2+)

5-tert-butyl-N-(5-tert-butyl-1-phenylpyrazol-3-yl)-N-phenyl-1-phenylpyrazol-3-amine;platinum(2+) (PubChem CID 59661053) has the molecular formula C32H33N5Pt and a molecular weight of 682.73 g/mol. Its IUPAC name is 5-tert-butyl-N-(5-tert-butyl-1-phenylpyrazol-3-yl)-N-phenyl-1-phenylpyrazol-3-amine;platinum(2+).

Molecular Properties

Compound Name5-tert-butyl-N-(5-tert-butyl-1-phenylpyrazol-3-yl)-N-phenyl-1-phenylpyrazol-3-amine;platinum(2+)
PubChem CID59661053
Molecular FormulaC32H33N5Pt
Molecular Weight682.73 g/mol
Exact Mass682.24
IUPAC Name5-tert-butyl-N-(5-tert-butyl-1-phenylpyrazol-3-yl)-N-phenyl-1-phenylpyrazol-3-amine;platinum(2+)
SMILESCC(C)(C)c1cc(N(c2ccccc2)c2cc(C(C)(C)C)n(-c3[c-]cccc3)n2)nn1-c1[c-]cccc1.[Pt+2]
InChIInChI=1S/C32H33N5.Pt/c1-31(2,3)27-22-29(33-36(27)25-18-12-8-13-19-25)35(24-16-10-7-11-17-24)30-23-28(32(4,5)6)37(34-30)26-20-14-9-15-21-26;/h7-18,20,22-23H,1-6H3;/q-2;+2
InChIKeyJATALOFPRHUPSJ-UHFFFAOYSA-N
XLogP7.72
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500682.73
LogP ≤ 57.72
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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Related Compounds

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6-N-tert-butyl-4-N-ethyl-4-N-phenylpyrimidine-4,6-diamine
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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-(5-tert-butyl-1-phenylpyrazol-3-yl)-N-phenyl-1-phenylpyrazol-3-amine;platinum(2+)?
The IUPAC name of 5-tert-butyl-N-(5-tert-butyl-1-phenylpyrazol-3-yl)-N-phenyl-1-phenylpyrazol-3-amine;platinum(2+) (CID 59661053) is 5-tert-butyl-N-(5-tert-butyl-1-phenylpyrazol-3-yl)-N-phenyl-1-phenylpyrazol-3-amine;platinum(2+).
What is the SMILES notation for 5-tert-butyl-N-(5-tert-butyl-1-phenylpyrazol-3-yl)-N-phenyl-1-phenylpyrazol-3-amine;platinum(2+)?
The canonical SMILES for 5-tert-butyl-N-(5-tert-butyl-1-phenylpyrazol-3-yl)-N-phenyl-1-phenylpyrazol-3-amine;platinum(2+) is CC(C)(C)c1cc(N(c2ccccc2)c2cc(C(C)(C)C)n(-c3[c-]cccc3)n2)nn1-c1[c-]cccc1.[Pt+2].
What is the InChIKey of 5-tert-butyl-N-(5-tert-butyl-1-phenylpyrazol-3-yl)-N-phenyl-1-phenylpyrazol-3-amine;platinum(2+)?
The InChIKey is JATALOFPRHUPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33N5.Pt/c1-31(2,3)27-22-29(33-36(27)25-18-12-8-13-19-25)35(24-16-10-7-11-17-24)30-23-28(32(4,5)6)37(34-30)26-20-14-9-15-21-26;/h7-18,20,22-23H,1-6H3;/q-2;+2.
What are the key properties of 5-tert-butyl-N-(5-tert-butyl-1-phenylpyrazol-3-yl)-N-phenyl-1-phenylpyrazol-3-amine;platinum(2+)?
5-tert-butyl-N-(5-tert-butyl-1-phenylpyrazol-3-yl)-N-phenyl-1-phenylpyrazol-3-amine;platinum(2+) has a molecular weight of 682.73 g/mol, XLogP of 7.72, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-(5-tert-butyl-1-phenylpyrazol-3-yl)-N-phenyl-1-phenylpyrazol-3-amine;platinum(2+) is sourced from PubChem (CID 59661053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).