2-[2-[4-methyl-2,6-bis(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;platinum(2+);2-[2-[2,4,6-tris(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine

C40H21F15N2Pt — CID 58401657

IUPAC2-[2-[4-methyl-2,6-bis(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;platinum(2+);2-[2-[2,4,6-tris(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine
SMILESCc1cc(C(F)(F)F)c(-c2ccc[c-]c2-c2ccccn2)c(C(F)(F)F)c1.FC(F)(F)c1cc(C(F)(F)F)c(-c2ccc[c-]c2-c2ccccn2)c(C(F)(F)F)c1.[Pt+2]
InChIInChI=1S/C20H9F9N.C20H12F6N.Pt/c21-18(22,23)11-9-14(19(24,25)26)17(15(10-11)20(27,28)29)13-6-2-1-5-12(13)16-7-3-4-8-30-16;1-12-10-15(19(21,22)23)18(16(11-12)20(24,25)26)14-7-3-2-6-13(14)17-8-4-5-9-27-17;/h1-4,6-10H;2-5,7-11H,1H3;/q2*-1;+2
InChIKeyJYAZGXQHXJPQDQ-UHFFFAOYSA-N
MW1009.67 g/mol
LogP13.83
Rot. Bonds4

About 2-[2-[4-methyl-2,6-bis(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;platinum(2+);2-[2-[2,4,6-tris(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine

2-[2-[4-methyl-2,6-bis(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;platinum(2+);2-[2-[2,4,6-tris(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine (PubChem CID 58401657) has the molecular formula C40H21F15N2Pt and a molecular weight of 1009.67 g/mol. Its IUPAC name is 2-[2-[4-methyl-2,6-bis(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;platinum(2+);2-[2-[2,4,6-tris(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine.

Molecular Properties

Compound Name2-[2-[4-methyl-2,6-bis(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;platinum(2+);2-[2-[2,4,6-tris(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine
PubChem CID58401657
Molecular FormulaC40H21F15N2Pt
Molecular Weight1009.67 g/mol
Exact Mass1009.11
IUPAC Name2-[2-[4-methyl-2,6-bis(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;platinum(2+);2-[2-[2,4,6-tris(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine
SMILESCc1cc(C(F)(F)F)c(-c2ccc[c-]c2-c2ccccn2)c(C(F)(F)F)c1.FC(F)(F)c1cc(C(F)(F)F)c(-c2ccc[c-]c2-c2ccccn2)c(C(F)(F)F)c1.[Pt+2]
InChIInChI=1S/C20H9F9N.C20H12F6N.Pt/c21-18(22,23)11-9-14(19(24,25)26)17(15(10-11)20(27,28)29)13-6-2-1-5-12(13)16-7-3-4-8-30-16;1-12-10-15(19(21,22)23)18(16(11-12)20(24,25)26)14-7-3-2-6-13(14)17-8-4-5-9-27-17;/h1-4,6-10H;2-5,7-11H,1H3;/q2*-1;+2
InChIKeyJYAZGXQHXJPQDQ-UHFFFAOYSA-N
XLogP13.83
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001009.67
LogP ≤ 513.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[2-[4-methyl-2,6-bis(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;platinum(2+);2-[2-[2,4,6-tris(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-methyl-2,6-bis(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;platinum(2+);2-[2-[2,4,6-tris(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine?
The IUPAC name of 2-[2-[4-methyl-2,6-bis(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;platinum(2+);2-[2-[2,4,6-tris(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine (CID 58401657) is 2-[2-[4-methyl-2,6-bis(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;platinum(2+);2-[2-[2,4,6-tris(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine.
What is the SMILES notation for 2-[2-[4-methyl-2,6-bis(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;platinum(2+);2-[2-[2,4,6-tris(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine?
The canonical SMILES for 2-[2-[4-methyl-2,6-bis(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;platinum(2+);2-[2-[2,4,6-tris(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine is Cc1cc(C(F)(F)F)c(-c2ccc[c-]c2-c2ccccn2)c(C(F)(F)F)c1.FC(F)(F)c1cc(C(F)(F)F)c(-c2ccc[c-]c2-c2ccccn2)c(C(F)(F)F)c1.[Pt+2].
What is the InChIKey of 2-[2-[4-methyl-2,6-bis(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;platinum(2+);2-[2-[2,4,6-tris(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine?
The InChIKey is JYAZGXQHXJPQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H9F9N.C20H12F6N.Pt/c21-18(22,23)11-9-14(19(24,25)26)17(15(10-11)20(27,28)29)13-6-2-1-5-12(13)16-7-3-4-8-30-16;1-12-10-15(19(21,22)23)18(16(11-12)20(24,25)26)14-7-3-2-6-13(14)17-8-4-5-9-27-17;/h1-4,6-10H;2-5,7-11H,1H3;/q2*-1;+2.
What are the key properties of 2-[2-[4-methyl-2,6-bis(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;platinum(2+);2-[2-[2,4,6-tris(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine?
2-[2-[4-methyl-2,6-bis(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;platinum(2+);2-[2-[2,4,6-tris(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine has a molecular weight of 1009.67 g/mol, XLogP of 13.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-methyl-2,6-bis(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;platinum(2+);2-[2-[2,4,6-tris(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine is sourced from PubChem (CID 58401657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).