3-[4-methyl-2,6-bis(trifluoromethyl)phenyl]-2-pyridin-2-ylpyridine;1-methyl-2-(2-phenylbenzene-3-id-1-yl)-3,5-bis(trifluoromethyl)benzene;platinum(2+)

C40H24F12N2Pt — CID 58401602

IUPAC3-[4-methyl-2,6-bis(trifluoromethyl)phenyl]-2-pyridin-2-ylpyridine;1-methyl-2-(2-phenylbenzene-3-id-1-yl)-3,5-bis(trifluoromethyl)benzene;platinum(2+)
SMILESCc1cc(C(F)(F)F)c(-c2cccnc2-c2ccccn2)c(C(F)(F)F)c1.Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1-c1ccc[c-]c1-c1[c-]cccc1.[Pt+2]
InChIInChI=1S/C21H12F6.C19H12F6N2.Pt/c1-13-11-15(20(22,23)24)12-18(21(25,26)27)19(13)17-10-6-5-9-16(17)14-7-3-2-4-8-14;1-11-9-13(18(20,21)22)16(14(10-11)19(23,24)25)12-5-4-8-27-17(12)15-6-2-3-7-26-15;/h2-7,10-12H,1H3;2-10H,1H3;/q-2;;+2
InChIKeyZZJAEKSNYDTXQH-UHFFFAOYSA-N
MW955.70 g/mol
LogP13.12
Rot. Bonds4

About 3-[4-methyl-2,6-bis(trifluoromethyl)phenyl]-2-pyridin-2-ylpyridine;1-methyl-2-(2-phenylbenzene-3-id-1-yl)-3,5-bis(trifluoromethyl)benzene;platinum(2+)

3-[4-methyl-2,6-bis(trifluoromethyl)phenyl]-2-pyridin-2-ylpyridine;1-methyl-2-(2-phenylbenzene-3-id-1-yl)-3,5-bis(trifluoromethyl)benzene;platinum(2+) (PubChem CID 58401602) has the molecular formula C40H24F12N2Pt and a molecular weight of 955.70 g/mol. Its IUPAC name is 3-[4-methyl-2,6-bis(trifluoromethyl)phenyl]-2-pyridin-2-ylpyridine;1-methyl-2-(2-phenylbenzene-3-id-1-yl)-3,5-bis(trifluoromethyl)benzene;platinum(2+).

Molecular Properties

Compound Name3-[4-methyl-2,6-bis(trifluoromethyl)phenyl]-2-pyridin-2-ylpyridine;1-methyl-2-(2-phenylbenzene-3-id-1-yl)-3,5-bis(trifluoromethyl)benzene;platinum(2+)
PubChem CID58401602
Molecular FormulaC40H24F12N2Pt
Molecular Weight955.70 g/mol
Exact Mass955.14
IUPAC Name3-[4-methyl-2,6-bis(trifluoromethyl)phenyl]-2-pyridin-2-ylpyridine;1-methyl-2-(2-phenylbenzene-3-id-1-yl)-3,5-bis(trifluoromethyl)benzene;platinum(2+)
SMILESCc1cc(C(F)(F)F)c(-c2cccnc2-c2ccccn2)c(C(F)(F)F)c1.Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1-c1ccc[c-]c1-c1[c-]cccc1.[Pt+2]
InChIInChI=1S/C21H12F6.C19H12F6N2.Pt/c1-13-11-15(20(22,23)24)12-18(21(25,26)27)19(13)17-10-6-5-9-16(17)14-7-3-2-4-8-14;1-11-9-13(18(20,21)22)16(14(10-11)19(23,24)25)12-5-4-8-27-17(12)15-6-2-3-7-26-15;/h2-7,10-12H,1H3;2-10H,1H3;/q-2;;+2
InChIKeyZZJAEKSNYDTXQH-UHFFFAOYSA-N
XLogP13.12
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500955.70
LogP ≤ 513.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[4-methyl-2,6-bis(trifluoromethyl)phenyl]-2-pyridin-2-ylpyridine;1-methyl-2-(2-phenylbenzene-3-id-1-yl)-3,5-bis(trifluoromethyl)benzene;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

4,4'-Diphenyl-2,2'-bipyridine
CID 80259
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
(anthracen-9-yl)-N,N-bis((pyridin-2-yl)methyl)methanamine
CID 10079224
N-[(2,4-dimethylphenyl)methyl]-4-[1-(4-fluorophenyl)indol-3-yl]-N-methylbutan-1-amine
CID 25147243
N-(2,4-Dimethylbenzyl)-3-[1-(4-fluorophenyl)-1H-indol-3-yl]-N-methylpropan-1-amine
CID 44579871
N-(2,4-Dimethylbenzyl)-4-[1-(4-fluorophenyl)-1H-indol-3-yl]-N-methylbutan-1-amine
CID 44579934
3-(4-Methylpiperazin-1-yl)-5-phenyl-7-(trifluoromethyl)quinoline
CID 44581671
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
6-[4-(trifluoromethyl)phenyl]-7H-indeno[2,1-c][1,5]naphthyridine
CID 127033744
4-phenyl-2-pyridin-2-yl-5H-indeno[1,2-b]pyridine
CID 118719748

Frequently Asked Questions

What is the IUPAC name of 3-[4-methyl-2,6-bis(trifluoromethyl)phenyl]-2-pyridin-2-ylpyridine;1-methyl-2-(2-phenylbenzene-3-id-1-yl)-3,5-bis(trifluoromethyl)benzene;platinum(2+)?
The IUPAC name of 3-[4-methyl-2,6-bis(trifluoromethyl)phenyl]-2-pyridin-2-ylpyridine;1-methyl-2-(2-phenylbenzene-3-id-1-yl)-3,5-bis(trifluoromethyl)benzene;platinum(2+) (CID 58401602) is 3-[4-methyl-2,6-bis(trifluoromethyl)phenyl]-2-pyridin-2-ylpyridine;1-methyl-2-(2-phenylbenzene-3-id-1-yl)-3,5-bis(trifluoromethyl)benzene;platinum(2+).
What is the SMILES notation for 3-[4-methyl-2,6-bis(trifluoromethyl)phenyl]-2-pyridin-2-ylpyridine;1-methyl-2-(2-phenylbenzene-3-id-1-yl)-3,5-bis(trifluoromethyl)benzene;platinum(2+)?
The canonical SMILES for 3-[4-methyl-2,6-bis(trifluoromethyl)phenyl]-2-pyridin-2-ylpyridine;1-methyl-2-(2-phenylbenzene-3-id-1-yl)-3,5-bis(trifluoromethyl)benzene;platinum(2+) is Cc1cc(C(F)(F)F)c(-c2cccnc2-c2ccccn2)c(C(F)(F)F)c1.Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1-c1ccc[c-]c1-c1[c-]cccc1.[Pt+2].
What is the InChIKey of 3-[4-methyl-2,6-bis(trifluoromethyl)phenyl]-2-pyridin-2-ylpyridine;1-methyl-2-(2-phenylbenzene-3-id-1-yl)-3,5-bis(trifluoromethyl)benzene;platinum(2+)?
The InChIKey is ZZJAEKSNYDTXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12F6.C19H12F6N2.Pt/c1-13-11-15(20(22,23)24)12-18(21(25,26)27)19(13)17-10-6-5-9-16(17)14-7-3-2-4-8-14;1-11-9-13(18(20,21)22)16(14(10-11)19(23,24)25)12-5-4-8-27-17(12)15-6-2-3-7-26-15;/h2-7,10-12H,1H3;2-10H,1H3;/q-2;;+2.
What are the key properties of 3-[4-methyl-2,6-bis(trifluoromethyl)phenyl]-2-pyridin-2-ylpyridine;1-methyl-2-(2-phenylbenzene-3-id-1-yl)-3,5-bis(trifluoromethyl)benzene;platinum(2+)?
3-[4-methyl-2,6-bis(trifluoromethyl)phenyl]-2-pyridin-2-ylpyridine;1-methyl-2-(2-phenylbenzene-3-id-1-yl)-3,5-bis(trifluoromethyl)benzene;platinum(2+) has a molecular weight of 955.70 g/mol, XLogP of 13.12, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-methyl-2,6-bis(trifluoromethyl)phenyl]-2-pyridin-2-ylpyridine;1-methyl-2-(2-phenylbenzene-3-id-1-yl)-3,5-bis(trifluoromethyl)benzene;platinum(2+) is sourced from PubChem (CID 58401602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).