4-[2,6-di(propan-2-yl)phenyl]-1-[3-(trifluoromethyl)pyrazol-1-id-5-yl]isoquinoline;4-[2,6-di(propan-2-yl)phenyl]-1-[5-(trifluoromethyl)pyrazol-1-id-3-yl]isoquinoline;platinum(2+)

C50H46F6N6Pt — CID 139165520

IUPAC4-[2,6-di(propan-2-yl)phenyl]-1-[3-(trifluoromethyl)pyrazol-1-id-5-yl]isoquinoline;4-[2,6-di(propan-2-yl)phenyl]-1-[5-(trifluoromethyl)pyrazol-1-id-3-yl]isoquinoline;platinum(2+)
SMILESCC(C)c1cccc(C(C)C)c1-c1cnc(-c2cc(C(F)(F)F)[n-]n2)c2ccccc12.CC(C)c1cccc(C(C)C)c1-c1cnc(-c2cc(C(F)(F)F)n[n-]2)c2ccccc12.[Pt+2]
InChIInChI=1S/2C25H23F3N3.Pt/c2*1-14(2)16-10-7-11-17(15(3)4)23(16)20-13-29-24(19-9-6-5-8-18(19)20)21-12-22(31-30-21)25(26,27)28;/h2*5-15H,1-4H3;/q2*-1;+2
InChIKeyCYPMGSSODYGCLH-UHFFFAOYSA-N
MW1040.03 g/mol
LogP14.37
Rot. Bonds8

About 4-[2,6-di(propan-2-yl)phenyl]-1-[3-(trifluoromethyl)pyrazol-1-id-5-yl]isoquinoline;4-[2,6-di(propan-2-yl)phenyl]-1-[5-(trifluoromethyl)pyrazol-1-id-3-yl]isoquinoline;platinum(2+)

4-[2,6-di(propan-2-yl)phenyl]-1-[3-(trifluoromethyl)pyrazol-1-id-5-yl]isoquinoline;4-[2,6-di(propan-2-yl)phenyl]-1-[5-(trifluoromethyl)pyrazol-1-id-3-yl]isoquinoline;platinum(2+) (PubChem CID 139165520) has the molecular formula C50H46F6N6Pt and a molecular weight of 1040.03 g/mol. Its IUPAC name is 4-[2,6-di(propan-2-yl)phenyl]-1-[3-(trifluoromethyl)pyrazol-1-id-5-yl]isoquinoline;4-[2,6-di(propan-2-yl)phenyl]-1-[5-(trifluoromethyl)pyrazol-1-id-3-yl]isoquinoline;platinum(2+).

Molecular Properties

Compound Name4-[2,6-di(propan-2-yl)phenyl]-1-[3-(trifluoromethyl)pyrazol-1-id-5-yl]isoquinoline;4-[2,6-di(propan-2-yl)phenyl]-1-[5-(trifluoromethyl)pyrazol-1-id-3-yl]isoquinoline;platinum(2+)
PubChem CID139165520
Molecular FormulaC50H46F6N6Pt
Molecular Weight1040.03 g/mol
Exact Mass1039.33
IUPAC Name4-[2,6-di(propan-2-yl)phenyl]-1-[3-(trifluoromethyl)pyrazol-1-id-5-yl]isoquinoline;4-[2,6-di(propan-2-yl)phenyl]-1-[5-(trifluoromethyl)pyrazol-1-id-3-yl]isoquinoline;platinum(2+)
SMILESCC(C)c1cccc(C(C)C)c1-c1cnc(-c2cc(C(F)(F)F)[n-]n2)c2ccccc12.CC(C)c1cccc(C(C)C)c1-c1cnc(-c2cc(C(F)(F)F)n[n-]2)c2ccccc12.[Pt+2]
InChIInChI=1S/2C25H23F3N3.Pt/c2*1-14(2)16-10-7-11-17(15(3)4)23(16)20-13-29-24(19-9-6-5-8-18(19)20)21-12-22(31-30-21)25(26,27)28;/h2*5-15H,1-4H3;/q2*-1;+2
InChIKeyCYPMGSSODYGCLH-UHFFFAOYSA-N
XLogP14.37
TPSA79.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001040.03
LogP ≤ 514.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[2,6-di(propan-2-yl)phenyl]-1-[3-(trifluoromethyl)pyrazol-1-id-5-yl]isoquinoline;4-[2,6-di(propan-2-yl)phenyl]-1-[5-(trifluoromethyl)pyrazol-1-id-3-yl]isoquinoline;platinum(2+) with MolForge

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Related Compounds

Bis(4-[2,6-di(propan-2-yl)phenyl]-2-[5-(trifluoromethyl)pyrazol-1-id-3-yl]pyridine);ethyl acetate;platinum(2+)
CID 168338734
Bis(5-[2,6-di(propan-2-yl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);platinum(2+)
CID 168338735
Bis(dichloromethane);platinum(2+);3-(trifluoromethyl)-5-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazol-1-ide;4-(2,4,6-trimethylphenyl)-2-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]pyridine
CID 168338993
Nickel(2+);bis(pentane);bis(quinolin-8-yl-[2-(trifluoromethyl)phenanthridin-4-yl]azanide)
CID 168341947
1-(2,4-Difluorobenzene-6-id-1-yl)pyrazole;iridium;4-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 57525991
Methyl(diphenyl)phosphanium;methylphosphane;osmium(2+);bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
CID 57604186
[4-[4-[2-(2,4-Difluorobenzene-6-id-1-yl)-4-pyridinyl]hexan-2-yl]phenyl]-diphenyl-(2-pyridin-3-ylphenyl)silane;iridium;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 57703338
Platinum(2+);7-(pyridin-2-ylmethyl)-2-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]indol-1-ide
CID 57806383
4-[6-[1-phenyl-1-(1-phenylpyrazol-3-yl)ethyl]-2-pyridinyl]-6-(trifluoromethyl)-3H-pyridin-3-ide;platinum(2+)
CID 57923666
2-(2,4-Difluorobenzene-6-id-1-yl)-5-(2-methylpropyl)pyridine;iridium;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 58162039
CID 58240034
CID 58240034
Bis(dimethyl(phenyl)phosphanium);2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 58240128

Frequently Asked Questions

What is the IUPAC name of 4-[2,6-di(propan-2-yl)phenyl]-1-[3-(trifluoromethyl)pyrazol-1-id-5-yl]isoquinoline;4-[2,6-di(propan-2-yl)phenyl]-1-[5-(trifluoromethyl)pyrazol-1-id-3-yl]isoquinoline;platinum(2+)?
The IUPAC name of 4-[2,6-di(propan-2-yl)phenyl]-1-[3-(trifluoromethyl)pyrazol-1-id-5-yl]isoquinoline;4-[2,6-di(propan-2-yl)phenyl]-1-[5-(trifluoromethyl)pyrazol-1-id-3-yl]isoquinoline;platinum(2+) (CID 139165520) is 4-[2,6-di(propan-2-yl)phenyl]-1-[3-(trifluoromethyl)pyrazol-1-id-5-yl]isoquinoline;4-[2,6-di(propan-2-yl)phenyl]-1-[5-(trifluoromethyl)pyrazol-1-id-3-yl]isoquinoline;platinum(2+).
What is the SMILES notation for 4-[2,6-di(propan-2-yl)phenyl]-1-[3-(trifluoromethyl)pyrazol-1-id-5-yl]isoquinoline;4-[2,6-di(propan-2-yl)phenyl]-1-[5-(trifluoromethyl)pyrazol-1-id-3-yl]isoquinoline;platinum(2+)?
The canonical SMILES for 4-[2,6-di(propan-2-yl)phenyl]-1-[3-(trifluoromethyl)pyrazol-1-id-5-yl]isoquinoline;4-[2,6-di(propan-2-yl)phenyl]-1-[5-(trifluoromethyl)pyrazol-1-id-3-yl]isoquinoline;platinum(2+) is CC(C)c1cccc(C(C)C)c1-c1cnc(-c2cc(C(F)(F)F)[n-]n2)c2ccccc12.CC(C)c1cccc(C(C)C)c1-c1cnc(-c2cc(C(F)(F)F)n[n-]2)c2ccccc12.[Pt+2].
What is the InChIKey of 4-[2,6-di(propan-2-yl)phenyl]-1-[3-(trifluoromethyl)pyrazol-1-id-5-yl]isoquinoline;4-[2,6-di(propan-2-yl)phenyl]-1-[5-(trifluoromethyl)pyrazol-1-id-3-yl]isoquinoline;platinum(2+)?
The InChIKey is CYPMGSSODYGCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H23F3N3.Pt/c2*1-14(2)16-10-7-11-17(15(3)4)23(16)20-13-29-24(19-9-6-5-8-18(19)20)21-12-22(31-30-21)25(26,27)28;/h2*5-15H,1-4H3;/q2*-1;+2.
What are the key properties of 4-[2,6-di(propan-2-yl)phenyl]-1-[3-(trifluoromethyl)pyrazol-1-id-5-yl]isoquinoline;4-[2,6-di(propan-2-yl)phenyl]-1-[5-(trifluoromethyl)pyrazol-1-id-3-yl]isoquinoline;platinum(2+)?
4-[2,6-di(propan-2-yl)phenyl]-1-[3-(trifluoromethyl)pyrazol-1-id-5-yl]isoquinoline;4-[2,6-di(propan-2-yl)phenyl]-1-[5-(trifluoromethyl)pyrazol-1-id-3-yl]isoquinoline;platinum(2+) has a molecular weight of 1040.03 g/mol, XLogP of 14.37, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,6-di(propan-2-yl)phenyl]-1-[3-(trifluoromethyl)pyrazol-1-id-5-yl]isoquinoline;4-[2,6-di(propan-2-yl)phenyl]-1-[5-(trifluoromethyl)pyrazol-1-id-3-yl]isoquinoline;platinum(2+) is sourced from PubChem (CID 139165520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).