2-[3-methyl-4-[2-methyl-6-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[4-[2-methyl-6-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzene-6-id-1-yl]pyridine;platinum(2+)

C40H27F9N2Pt — CID 58401567

IUPAC2-[3-methyl-4-[2-methyl-6-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[4-[2-methyl-6-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzene-6-id-1-yl]pyridine;platinum(2+)
SMILESCc1cc(-c2ccccn2)[c-]cc1-c1c(C)cccc1C(F)(F)F.Cc1cccc(C(F)(F)F)c1-c1c[c-]c(-c2ccccn2)cc1C(F)(F)F.[Pt+2]
InChIInChI=1S/C20H12F6N.C20H15F3N.Pt/c1-12-5-4-6-15(19(21,22)23)18(12)14-9-8-13(11-16(14)20(24,25)26)17-7-2-3-10-27-17;1-13-6-5-7-17(20(21,22)23)19(13)16-10-9-15(12-14(16)2)18-8-3-4-11-24-18;/h2-7,9-11H,1H3;3-8,10-12H,1-2H3;/q2*-1;+2
InChIKeyDCOGITQYHIMRTQ-UHFFFAOYSA-N
MW901.73 g/mol
LogP12.41
Rot. Bonds4

About 2-[3-methyl-4-[2-methyl-6-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[4-[2-methyl-6-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzene-6-id-1-yl]pyridine;platinum(2+)

2-[3-methyl-4-[2-methyl-6-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[4-[2-methyl-6-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzene-6-id-1-yl]pyridine;platinum(2+) (PubChem CID 58401567) has the molecular formula C40H27F9N2Pt and a molecular weight of 901.73 g/mol. Its IUPAC name is 2-[3-methyl-4-[2-methyl-6-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[4-[2-methyl-6-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzene-6-id-1-yl]pyridine;platinum(2+).

Molecular Properties

Compound Name2-[3-methyl-4-[2-methyl-6-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[4-[2-methyl-6-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzene-6-id-1-yl]pyridine;platinum(2+)
PubChem CID58401567
Molecular FormulaC40H27F9N2Pt
Molecular Weight901.73 g/mol
Exact Mass901.17
IUPAC Name2-[3-methyl-4-[2-methyl-6-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[4-[2-methyl-6-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzene-6-id-1-yl]pyridine;platinum(2+)
SMILESCc1cc(-c2ccccn2)[c-]cc1-c1c(C)cccc1C(F)(F)F.Cc1cccc(C(F)(F)F)c1-c1c[c-]c(-c2ccccn2)cc1C(F)(F)F.[Pt+2]
InChIInChI=1S/C20H12F6N.C20H15F3N.Pt/c1-12-5-4-6-15(19(21,22)23)18(12)14-9-8-13(11-16(14)20(24,25)26)17-7-2-3-10-27-17;1-13-6-5-7-17(20(21,22)23)19(13)16-10-9-15(12-14(16)2)18-8-3-4-11-24-18;/h2-7,9-11H,1H3;3-8,10-12H,1-2H3;/q2*-1;+2
InChIKeyDCOGITQYHIMRTQ-UHFFFAOYSA-N
XLogP12.41
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500901.73
LogP ≤ 512.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[3-methyl-4-[2-methyl-6-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[4-[2-methyl-6-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzene-6-id-1-yl]pyridine;platinum(2+) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Phenyl-5-[(5-phenyl-3-pyridinyl)methyl]pyridine
CID 73356736
2-methyl-5-(2-(pyridin-2-yl)ethyl)-8-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
CID 54582940
2-methyl-5-(2-(pyridin-4-yl)ethyl)-8-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
CID 54585847
3-(2,2-Dipyridin-3-ylethyl)-2-[3-(trifluoromethyl)phenyl]pyridine
CID 66829417
1,6-Dimethyl-2-phenyl-4,5-dihydro-3a,5a-diaza-as-indacene
CID 778625
3-[2-(Difluoromethyl)-4-pyridinyl]-7-fluoro-3-[3-(5-prop-1-ynyl-3-pyridinyl)phenyl]isoindol-1-amine
CID 71457147
1-(4-Fluorophenyl)-3-(1-methylpiperidin-4-yl)-5-pyridin-4-ylindole
CID 71508685
1-(4-Fluorophenyl)-3-(1-methylpiperidin-4-yl)-5-pyridin-3-ylindole
CID 71508687
2-methyl-5-(2-(pyridin-3-yl)ethyl)-8-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
CID 54584885
3-[2-[4-Fluoro-2-[3-(trifluoromethyl)phenyl]phenyl]-1-pyridin-3-ylethyl]pyridine
CID 67264841
4-(2,4-Difluorophenyl)-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene
CID 5233210
4-phenyl-2-pyridin-3-yl-5H-indeno[1,2-b]pyridine
CID 134136012

Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-4-[2-methyl-6-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[4-[2-methyl-6-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzene-6-id-1-yl]pyridine;platinum(2+)?
The IUPAC name of 2-[3-methyl-4-[2-methyl-6-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[4-[2-methyl-6-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzene-6-id-1-yl]pyridine;platinum(2+) (CID 58401567) is 2-[3-methyl-4-[2-methyl-6-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[4-[2-methyl-6-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzene-6-id-1-yl]pyridine;platinum(2+).
What is the SMILES notation for 2-[3-methyl-4-[2-methyl-6-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[4-[2-methyl-6-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzene-6-id-1-yl]pyridine;platinum(2+)?
The canonical SMILES for 2-[3-methyl-4-[2-methyl-6-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[4-[2-methyl-6-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzene-6-id-1-yl]pyridine;platinum(2+) is Cc1cc(-c2ccccn2)[c-]cc1-c1c(C)cccc1C(F)(F)F.Cc1cccc(C(F)(F)F)c1-c1c[c-]c(-c2ccccn2)cc1C(F)(F)F.[Pt+2].
What is the InChIKey of 2-[3-methyl-4-[2-methyl-6-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[4-[2-methyl-6-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzene-6-id-1-yl]pyridine;platinum(2+)?
The InChIKey is DCOGITQYHIMRTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F6N.C20H15F3N.Pt/c1-12-5-4-6-15(19(21,22)23)18(12)14-9-8-13(11-16(14)20(24,25)26)17-7-2-3-10-27-17;1-13-6-5-7-17(20(21,22)23)19(13)16-10-9-15(12-14(16)2)18-8-3-4-11-24-18;/h2-7,9-11H,1H3;3-8,10-12H,1-2H3;/q2*-1;+2.
What are the key properties of 2-[3-methyl-4-[2-methyl-6-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[4-[2-methyl-6-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzene-6-id-1-yl]pyridine;platinum(2+)?
2-[3-methyl-4-[2-methyl-6-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[4-[2-methyl-6-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzene-6-id-1-yl]pyridine;platinum(2+) has a molecular weight of 901.73 g/mol, XLogP of 12.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-4-[2-methyl-6-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[4-[2-methyl-6-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzene-6-id-1-yl]pyridine;platinum(2+) is sourced from PubChem (CID 58401567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).