4-phenyl-3-[2-[4-phenyl-1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]propan-2-yl]-1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole;platinum(2+)

C35H24F6N4Pt — CID 155625060

IUPAC4-phenyl-3-[2-[4-phenyl-1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]propan-2-yl]-1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole;platinum(2+)
SMILESCC(C)(c1nn(-c2[c-]cc(C(F)(F)F)cc2)cc1-c1ccccc1)c1nn(-c2[c-]cc(C(F)(F)F)cc2)cc1-c1ccccc1.[Pt+2]
InChIInChI=1S/C35H24F6N4.Pt/c1-33(2,31-29(23-9-5-3-6-10-23)21-44(42-31)27-17-13-25(14-18-27)34(36,37)38)32-30(24-11-7-4-8-12-24)22-45(43-32)28-19-15-26(16-20-28)35(39,40)41;/h3-17,19,21-22H,1-2H3;/q-2;+2
InChIKeyWTMXVWUVRLMWSL-UHFFFAOYSA-N
MW809.67 g/mol
LogP9.35
Rot. Bonds6

About 4-phenyl-3-[2-[4-phenyl-1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]propan-2-yl]-1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole;platinum(2+)

4-phenyl-3-[2-[4-phenyl-1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]propan-2-yl]-1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole;platinum(2+) (PubChem CID 155625060) has the molecular formula C35H24F6N4Pt and a molecular weight of 809.67 g/mol. Its IUPAC name is 4-phenyl-3-[2-[4-phenyl-1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]propan-2-yl]-1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole;platinum(2+).

Molecular Properties

Compound Name4-phenyl-3-[2-[4-phenyl-1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]propan-2-yl]-1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole;platinum(2+)
PubChem CID155625060
Molecular FormulaC35H24F6N4Pt
Molecular Weight809.67 g/mol
Exact Mass809.16
IUPAC Name4-phenyl-3-[2-[4-phenyl-1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]propan-2-yl]-1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole;platinum(2+)
SMILESCC(C)(c1nn(-c2[c-]cc(C(F)(F)F)cc2)cc1-c1ccccc1)c1nn(-c2[c-]cc(C(F)(F)F)cc2)cc1-c1ccccc1.[Pt+2]
InChIInChI=1S/C35H24F6N4.Pt/c1-33(2,31-29(23-9-5-3-6-10-23)21-44(42-31)27-17-13-25(14-18-27)34(36,37)38)32-30(24-11-7-4-8-12-24)22-45(43-32)28-19-15-26(16-20-28)35(39,40)41;/h3-17,19,21-22H,1-2H3;/q-2;+2
InChIKeyWTMXVWUVRLMWSL-UHFFFAOYSA-N
XLogP9.35
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500809.67
LogP ≤ 59.35
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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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-3-[2-[4-phenyl-1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]propan-2-yl]-1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole;platinum(2+)?
The IUPAC name of 4-phenyl-3-[2-[4-phenyl-1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]propan-2-yl]-1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole;platinum(2+) (CID 155625060) is 4-phenyl-3-[2-[4-phenyl-1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]propan-2-yl]-1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole;platinum(2+).
What is the SMILES notation for 4-phenyl-3-[2-[4-phenyl-1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]propan-2-yl]-1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole;platinum(2+)?
The canonical SMILES for 4-phenyl-3-[2-[4-phenyl-1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]propan-2-yl]-1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole;platinum(2+) is CC(C)(c1nn(-c2[c-]cc(C(F)(F)F)cc2)cc1-c1ccccc1)c1nn(-c2[c-]cc(C(F)(F)F)cc2)cc1-c1ccccc1.[Pt+2].
What is the InChIKey of 4-phenyl-3-[2-[4-phenyl-1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]propan-2-yl]-1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole;platinum(2+)?
The InChIKey is WTMXVWUVRLMWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H24F6N4.Pt/c1-33(2,31-29(23-9-5-3-6-10-23)21-44(42-31)27-17-13-25(14-18-27)34(36,37)38)32-30(24-11-7-4-8-12-24)22-45(43-32)28-19-15-26(16-20-28)35(39,40)41;/h3-17,19,21-22H,1-2H3;/q-2;+2.
What are the key properties of 4-phenyl-3-[2-[4-phenyl-1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]propan-2-yl]-1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole;platinum(2+)?
4-phenyl-3-[2-[4-phenyl-1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]propan-2-yl]-1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole;platinum(2+) has a molecular weight of 809.67 g/mol, XLogP of 9.35, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-3-[2-[4-phenyl-1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]propan-2-yl]-1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole;platinum(2+) is sourced from PubChem (CID 155625060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).