bis(5-naphthalen-1-yl-7-(trifluoromethyl)-9H-[1]benzoborolo[3,2-b]pyridin-9-ide);platinum(2+)

C44H24B2F6N2Pt — CID 59459780

IUPACbis(5-naphthalen-1-yl-7-(trifluoromethyl)-9H-[1]benzoborolo[3,2-b]pyridin-9-ide);platinum(2+)
SMILESFC(F)(F)c1c[c-]c2c(c1)B(c1cccc3ccccc13)c1cccnc1-2.FC(F)(F)c1c[c-]c2c(c1)B(c1cccc3ccccc13)c1cccnc1-2.[Pt+2]
InChIInChI=1S/2C22H12BF3N.Pt/c2*24-22(25,26)15-10-11-17-20(13-15)23(19-9-4-12-27-21(17)19)18-8-3-6-14-5-1-2-7-16(14)18;/h2*1-10,12-13H;/q2*-1;+2
InChIKeyWCIINDPMRJLPIO-UHFFFAOYSA-N
MW911.38 g/mol
LogP7.10
Rot. Bonds2

About bis(5-naphthalen-1-yl-7-(trifluoromethyl)-9H-[1]benzoborolo[3,2-b]pyridin-9-ide);platinum(2+)

bis(5-naphthalen-1-yl-7-(trifluoromethyl)-9H-[1]benzoborolo[3,2-b]pyridin-9-ide);platinum(2+) (PubChem CID 59459780) has the molecular formula C44H24B2F6N2Pt and a molecular weight of 911.38 g/mol. Its IUPAC name is bis(5-naphthalen-1-yl-7-(trifluoromethyl)-9H-[1]benzoborolo[3,2-b]pyridin-9-ide);platinum(2+).

Molecular Properties

Compound Namebis(5-naphthalen-1-yl-7-(trifluoromethyl)-9H-[1]benzoborolo[3,2-b]pyridin-9-ide);platinum(2+)
PubChem CID59459780
Molecular FormulaC44H24B2F6N2Pt
Molecular Weight911.38 g/mol
Exact Mass911.17
IUPAC Namebis(5-naphthalen-1-yl-7-(trifluoromethyl)-9H-[1]benzoborolo[3,2-b]pyridin-9-ide);platinum(2+)
SMILESFC(F)(F)c1c[c-]c2c(c1)B(c1cccc3ccccc13)c1cccnc1-2.FC(F)(F)c1c[c-]c2c(c1)B(c1cccc3ccccc13)c1cccnc1-2.[Pt+2]
InChIInChI=1S/2C22H12BF3N.Pt/c2*24-22(25,26)15-10-11-17-20(13-15)23(19-9-4-12-27-21(17)19)18-8-3-6-14-5-1-2-7-16(14)18;/h2*1-10,12-13H;/q2*-1;+2
InChIKeyWCIINDPMRJLPIO-UHFFFAOYSA-N
XLogP7.10
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500911.38
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze bis(5-naphthalen-1-yl-7-(trifluoromethyl)-9H-[1]benzoborolo[3,2-b]pyridin-9-ide);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

1,1'-Bis((5-(2,6-bis(trifluoromethyl)phenyl)pyridin-2-yl)methyl)-2,2'-bipyrrolidine
CID 117941045
CID 139167021
CID 139167021
2-[3-[Difluoro(naphthalen-1-yl)methyl]phenyl]pyridine
CID 168351622
CID 168352482
CID 168352482
6-(Trifluoromethyl)-4-azoniahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2(10),4(9),5,7,11,13,15(23),16,18,20-undecaene
CID 21040473
bis(N,N-dimethyl-2-[5-(trifluoromethyl)-2-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]pyridin-4-amine);platinum(2+)
CID 57872867
2-(2-Phenylbenzene-3-id-1-yl)-1,3,5-tris(trifluoromethyl)benzene;platinum(2+);2-pyridin-2-yl-3-[2,4,6-tris(trifluoromethyl)phenyl]pyridine
CID 57872937
bis(2-[2-carbazol-9-yl-3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-N,N-dimethylpyridin-4-amine);platinum(2+)
CID 57873264
2-[5-[2,4-Difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-6-[3-(2-pyridin-2-ylpropan-2-yl)phenyl]pyridine;platinum(2+)
CID 58004401
1-(4-Fluorobenzene-6-id-1-yl)isoquinoline;iridium(3+);bis(1-[4-(trifluoromethyl)benzene-6-id-1-yl]isoquinoline)
CID 58184658
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
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

Frequently Asked Questions

What is the IUPAC name of bis(5-naphthalen-1-yl-7-(trifluoromethyl)-9H-[1]benzoborolo[3,2-b]pyridin-9-ide);platinum(2+)?
The IUPAC name of bis(5-naphthalen-1-yl-7-(trifluoromethyl)-9H-[1]benzoborolo[3,2-b]pyridin-9-ide);platinum(2+) (CID 59459780) is bis(5-naphthalen-1-yl-7-(trifluoromethyl)-9H-[1]benzoborolo[3,2-b]pyridin-9-ide);platinum(2+).
What is the SMILES notation for bis(5-naphthalen-1-yl-7-(trifluoromethyl)-9H-[1]benzoborolo[3,2-b]pyridin-9-ide);platinum(2+)?
The canonical SMILES for bis(5-naphthalen-1-yl-7-(trifluoromethyl)-9H-[1]benzoborolo[3,2-b]pyridin-9-ide);platinum(2+) is FC(F)(F)c1c[c-]c2c(c1)B(c1cccc3ccccc13)c1cccnc1-2.FC(F)(F)c1c[c-]c2c(c1)B(c1cccc3ccccc13)c1cccnc1-2.[Pt+2].
What is the InChIKey of bis(5-naphthalen-1-yl-7-(trifluoromethyl)-9H-[1]benzoborolo[3,2-b]pyridin-9-ide);platinum(2+)?
The InChIKey is WCIINDPMRJLPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H12BF3N.Pt/c2*24-22(25,26)15-10-11-17-20(13-15)23(19-9-4-12-27-21(17)19)18-8-3-6-14-5-1-2-7-16(14)18;/h2*1-10,12-13H;/q2*-1;+2.
What are the key properties of bis(5-naphthalen-1-yl-7-(trifluoromethyl)-9H-[1]benzoborolo[3,2-b]pyridin-9-ide);platinum(2+)?
bis(5-naphthalen-1-yl-7-(trifluoromethyl)-9H-[1]benzoborolo[3,2-b]pyridin-9-ide);platinum(2+) has a molecular weight of 911.38 g/mol, XLogP of 7.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(5-naphthalen-1-yl-7-(trifluoromethyl)-9H-[1]benzoborolo[3,2-b]pyridin-9-ide);platinum(2+) is sourced from PubChem (CID 59459780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).