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

C40H18F18N2Pt — CID 58939567

IUPACbis(2-[4-[2,6-bis(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzene-6-id-1-yl]pyridine);platinum(2+)
SMILESFC(F)(F)c1cc(-c2ccccn2)[c-]cc1-c1c(C(F)(F)F)cccc1C(F)(F)F.FC(F)(F)c1cc(-c2ccccn2)[c-]cc1-c1c(C(F)(F)F)cccc1C(F)(F)F.[Pt+2]
InChIInChI=1S/2C20H9F9N.Pt/c2*21-18(22,23)13-4-3-5-14(19(24,25)26)17(13)12-8-7-11(10-15(12)20(27,28)29)16-6-1-2-9-30-16;/h2*1-6,8-10H;/q2*-1;+2
InChIKeyFKUWDTBGYFWQEF-UHFFFAOYSA-N
MW1063.64 g/mol
LogP14.54
Rot. Bonds4

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

bis(2-[4-[2,6-bis(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzene-6-id-1-yl]pyridine);platinum(2+) (PubChem CID 58939567) has the molecular formula C40H18F18N2Pt and a molecular weight of 1063.64 g/mol. Its IUPAC name is bis(2-[4-[2,6-bis(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzene-6-id-1-yl]pyridine);platinum(2+).

Molecular Properties

Compound Namebis(2-[4-[2,6-bis(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzene-6-id-1-yl]pyridine);platinum(2+)
PubChem CID58939567
Molecular FormulaC40H18F18N2Pt
Molecular Weight1063.64 g/mol
Exact Mass1063.08
IUPAC Namebis(2-[4-[2,6-bis(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzene-6-id-1-yl]pyridine);platinum(2+)
SMILESFC(F)(F)c1cc(-c2ccccn2)[c-]cc1-c1c(C(F)(F)F)cccc1C(F)(F)F.FC(F)(F)c1cc(-c2ccccn2)[c-]cc1-c1c(C(F)(F)F)cccc1C(F)(F)F.[Pt+2]
InChIInChI=1S/2C20H9F9N.Pt/c2*21-18(22,23)13-4-3-5-14(19(24,25)26)17(13)12-8-7-11(10-15(12)20(27,28)29)16-6-1-2-9-30-16;/h2*1-6,8-10H;/q2*-1;+2
InChIKeyFKUWDTBGYFWQEF-UHFFFAOYSA-N
XLogP14.54
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001063.64
LogP ≤ 514.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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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
8-fluoro-5-(4-fluorophenyl)-2-(2-pyridin-4-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;hydrochloride
CID 54581846
8-fluoro-5-(4-fluorophenyl)-2-(2-pyridin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;hydrochloride
CID 54581849
8-fluoro-5-(4-fluorophenyl)-2-(4-pyridin-4-ylbutyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;hydrochloride
CID 54585705
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-2-yl-5H-indeno[1,2-b]pyridine
CID 118719748
4-phenyl-2-pyridin-3-yl-5H-indeno[1,2-b]pyridine
CID 134136012

Frequently Asked Questions

What is the IUPAC name of bis(2-[4-[2,6-bis(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzene-6-id-1-yl]pyridine);platinum(2+)?
The IUPAC name of bis(2-[4-[2,6-bis(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzene-6-id-1-yl]pyridine);platinum(2+) (CID 58939567) is bis(2-[4-[2,6-bis(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzene-6-id-1-yl]pyridine);platinum(2+).
What is the SMILES notation for bis(2-[4-[2,6-bis(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzene-6-id-1-yl]pyridine);platinum(2+)?
The canonical SMILES for bis(2-[4-[2,6-bis(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzene-6-id-1-yl]pyridine);platinum(2+) is FC(F)(F)c1cc(-c2ccccn2)[c-]cc1-c1c(C(F)(F)F)cccc1C(F)(F)F.FC(F)(F)c1cc(-c2ccccn2)[c-]cc1-c1c(C(F)(F)F)cccc1C(F)(F)F.[Pt+2].
What is the InChIKey of bis(2-[4-[2,6-bis(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzene-6-id-1-yl]pyridine);platinum(2+)?
The InChIKey is FKUWDTBGYFWQEF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H9F9N.Pt/c2*21-18(22,23)13-4-3-5-14(19(24,25)26)17(13)12-8-7-11(10-15(12)20(27,28)29)16-6-1-2-9-30-16;/h2*1-6,8-10H;/q2*-1;+2.
What are the key properties of bis(2-[4-[2,6-bis(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzene-6-id-1-yl]pyridine);platinum(2+)?
bis(2-[4-[2,6-bis(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzene-6-id-1-yl]pyridine);platinum(2+) has a molecular weight of 1063.64 g/mol, XLogP of 14.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-[4-[2,6-bis(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzene-6-id-1-yl]pyridine);platinum(2+) is sourced from PubChem (CID 58939567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).