1-(3-tert-butylbenzene-6-id-1-yl)-3-[diphenyl-(1-phenylpyrazol-3-yl)methyl]pyrazole;platinum(2+)

C35H30N4Pt — CID 59645944

IUPAC1-(3-tert-butylbenzene-6-id-1-yl)-3-[diphenyl-(1-phenylpyrazol-3-yl)methyl]pyrazole;platinum(2+)
SMILESCC(C)(C)c1cc[c-]c(-n2ccc(C(c3ccccc3)(c3ccccc3)c3ccn(-c4[c-]cccc4)n3)n2)c1.[Pt+2]
InChIInChI=1S/C35H30N4.Pt/c1-34(2,3)29-18-13-21-31(26-29)39-25-23-33(37-39)35(27-14-7-4-8-15-27,28-16-9-5-10-17-28)32-22-24-38(36-32)30-19-11-6-12-20-30;/h4-19,22-26H,1-3H3;/q-2;+2
InChIKeyRXHCZNBXHALVDF-UHFFFAOYSA-N
MW701.73 g/mol
LogP7.34
Rot. Bonds6

About 1-(3-tert-butylbenzene-6-id-1-yl)-3-[diphenyl-(1-phenylpyrazol-3-yl)methyl]pyrazole;platinum(2+)

1-(3-tert-butylbenzene-6-id-1-yl)-3-[diphenyl-(1-phenylpyrazol-3-yl)methyl]pyrazole;platinum(2+) (PubChem CID 59645944) has the molecular formula C35H30N4Pt and a molecular weight of 701.73 g/mol. Its IUPAC name is 1-(3-tert-butylbenzene-6-id-1-yl)-3-[diphenyl-(1-phenylpyrazol-3-yl)methyl]pyrazole;platinum(2+).

Molecular Properties

Compound Name1-(3-tert-butylbenzene-6-id-1-yl)-3-[diphenyl-(1-phenylpyrazol-3-yl)methyl]pyrazole;platinum(2+)
PubChem CID59645944
Molecular FormulaC35H30N4Pt
Molecular Weight701.73 g/mol
Exact Mass701.21
IUPAC Name1-(3-tert-butylbenzene-6-id-1-yl)-3-[diphenyl-(1-phenylpyrazol-3-yl)methyl]pyrazole;platinum(2+)
SMILESCC(C)(C)c1cc[c-]c(-n2ccc(C(c3ccccc3)(c3ccccc3)c3ccn(-c4[c-]cccc4)n3)n2)c1.[Pt+2]
InChIInChI=1S/C35H30N4.Pt/c1-34(2,3)29-18-13-21-31(26-29)39-25-23-33(37-39)35(27-14-7-4-8-15-27,28-16-9-5-10-17-28)32-22-24-38(36-32)30-19-11-6-12-20-30;/h4-19,22-26H,1-3H3;/q-2;+2
InChIKeyRXHCZNBXHALVDF-UHFFFAOYSA-N
XLogP7.34
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500701.73
LogP ≤ 57.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-3-[2-(4-methoxy-1-phenylpyrazol-3-yl)propan-2-yl]-1-phenylpyrazole;platinum(2+)
CID 58704728
iridium;1-phenylpyrazole-3-carbaldehyde
CID 155646485
5-tert-butyl-N-(5-tert-butyl-1-phenylpyrazol-3-yl)-N-phenyl-1-phenylpyrazol-3-amine;platinum(2+)
CID 59661053
[diphenyl(phenyl)methyl]benzene;ethane;yttrium
CID 159848686
5-methoxy-3-[2-(5-methoxy-1-phenylpyrazol-3-yl)propan-2-yl]-1-phenylpyrazole;platinum(2+)
CID 58704633
bis(4-methoxy-1-phenylpyrazol-3-yl)methanone;platinum(2+)
CID 58704875
3-(3,5-dimethylphenyl)-1-phenylpyrazole;iridium;2-phenylpyridine
CID 170539583
3-tert-butyl-2-phenylphenanthro[9,10-c]pyrazole;iridium
CID 21044959
bis(3,5-dimethyl-1-(3-phenylbenzene-6-id-1-yl)pyrazole);bis(3,5-dimethyl-1-phenylpyrazole);bis(1-(3-phenylbenzene-6-id-1-yl)pyrazole);1-[3-(4-phenylphenyl)benzene-6-id-1-yl]pyrazole;tris(1-phenylpyrazole);pentakis(rhodium(2+))
CID 157438201
1-(3-bromobenzene-6-id-1-yl)-3-methylpyrazole;iridium
CID 155646446
[diphenyl(phenyl)methyl]benzene;ethane;toluene;yttrium
CID 159358312
1-(3-phenylphenyl)-3-[2-[1-(3-phenylphenyl)pyrazol-3-yl]propan-2-yl]pyrazole
CID 59816887

Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butylbenzene-6-id-1-yl)-3-[diphenyl-(1-phenylpyrazol-3-yl)methyl]pyrazole;platinum(2+)?
The IUPAC name of 1-(3-tert-butylbenzene-6-id-1-yl)-3-[diphenyl-(1-phenylpyrazol-3-yl)methyl]pyrazole;platinum(2+) (CID 59645944) is 1-(3-tert-butylbenzene-6-id-1-yl)-3-[diphenyl-(1-phenylpyrazol-3-yl)methyl]pyrazole;platinum(2+).
What is the SMILES notation for 1-(3-tert-butylbenzene-6-id-1-yl)-3-[diphenyl-(1-phenylpyrazol-3-yl)methyl]pyrazole;platinum(2+)?
The canonical SMILES for 1-(3-tert-butylbenzene-6-id-1-yl)-3-[diphenyl-(1-phenylpyrazol-3-yl)methyl]pyrazole;platinum(2+) is CC(C)(C)c1cc[c-]c(-n2ccc(C(c3ccccc3)(c3ccccc3)c3ccn(-c4[c-]cccc4)n3)n2)c1.[Pt+2].
What is the InChIKey of 1-(3-tert-butylbenzene-6-id-1-yl)-3-[diphenyl-(1-phenylpyrazol-3-yl)methyl]pyrazole;platinum(2+)?
The InChIKey is RXHCZNBXHALVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H30N4.Pt/c1-34(2,3)29-18-13-21-31(26-29)39-25-23-33(37-39)35(27-14-7-4-8-15-27,28-16-9-5-10-17-28)32-22-24-38(36-32)30-19-11-6-12-20-30;/h4-19,22-26H,1-3H3;/q-2;+2.
What are the key properties of 1-(3-tert-butylbenzene-6-id-1-yl)-3-[diphenyl-(1-phenylpyrazol-3-yl)methyl]pyrazole;platinum(2+)?
1-(3-tert-butylbenzene-6-id-1-yl)-3-[diphenyl-(1-phenylpyrazol-3-yl)methyl]pyrazole;platinum(2+) has a molecular weight of 701.73 g/mol, XLogP of 7.34, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butylbenzene-6-id-1-yl)-3-[diphenyl-(1-phenylpyrazol-3-yl)methyl]pyrazole;platinum(2+) is sourced from PubChem (CID 59645944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).