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

C44H27B2F3N2Pt — CID 58401872

IUPAC7-methyl-5-naphthalen-1-yl-9H-[1]benzoborolo[3,2-b]pyridin-9-ide;5-naphthalen-1-yl-7-(trifluoromethyl)-9H-[1]benzoborolo[3,2-b]pyridin-9-ide;platinum(2+)
SMILESCc1c[c-]c2c(c1)B(c1cccc3ccccc13)c1cccnc1-2.FC(F)(F)c1c[c-]c2c(c1)B(c1cccc3ccccc13)c1cccnc1-2.[Pt+2]
InChIInChI=1S/C22H12BF3N.C22H15BN.Pt/c24-22(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;1-15-11-12-18-21(14-15)23(20-10-5-13-24-22(18)20)19-9-4-7-16-6-2-3-8-17(16)19;/h1-10,12-13H;2-11,13-14H,1H3;/q2*-1;+2
InChIKeyCTUKIODEKPOOKR-UHFFFAOYSA-N
MW857.41 g/mol
LogP6.39
Rot. Bonds2

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

7-methyl-5-naphthalen-1-yl-9H-[1]benzoborolo[3,2-b]pyridin-9-ide;5-naphthalen-1-yl-7-(trifluoromethyl)-9H-[1]benzoborolo[3,2-b]pyridin-9-ide;platinum(2+) (PubChem CID 58401872) has the molecular formula C44H27B2F3N2Pt and a molecular weight of 857.41 g/mol. Its IUPAC name is 7-methyl-5-naphthalen-1-yl-9H-[1]benzoborolo[3,2-b]pyridin-9-ide;5-naphthalen-1-yl-7-(trifluoromethyl)-9H-[1]benzoborolo[3,2-b]pyridin-9-ide;platinum(2+).

Molecular Properties

Compound Name7-methyl-5-naphthalen-1-yl-9H-[1]benzoborolo[3,2-b]pyridin-9-ide;5-naphthalen-1-yl-7-(trifluoromethyl)-9H-[1]benzoborolo[3,2-b]pyridin-9-ide;platinum(2+)
PubChem CID58401872
Molecular FormulaC44H27B2F3N2Pt
Molecular Weight857.41 g/mol
Exact Mass857.20
IUPAC Name7-methyl-5-naphthalen-1-yl-9H-[1]benzoborolo[3,2-b]pyridin-9-ide;5-naphthalen-1-yl-7-(trifluoromethyl)-9H-[1]benzoborolo[3,2-b]pyridin-9-ide;platinum(2+)
SMILESCc1c[c-]c2c(c1)B(c1cccc3ccccc13)c1cccnc1-2.FC(F)(F)c1c[c-]c2c(c1)B(c1cccc3ccccc13)c1cccnc1-2.[Pt+2]
InChIInChI=1S/C22H12BF3N.C22H15BN.Pt/c24-22(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;1-15-11-12-18-21(14-15)23(20-10-5-13-24-22(18)20)19-9-4-7-16-6-2-3-8-17(16)19;/h1-10,12-13H;2-11,13-14H,1H3;/q2*-1;+2
InChIKeyCTUKIODEKPOOKR-UHFFFAOYSA-N
XLogP6.39
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500857.41
LogP ≤ 56.39
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'}

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Related Compounds

(2-(4-methyl-5-phenyl-2-pyridinyl-kappaN)phenyl-kappaC)bis(2-(2-pyridinyl-kappaN)phenyl-kappaC) Iridium
CID 59546880
11',13'-Difluoro-2-methylspiro[2-aza-9-boranuidatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaene-9,8'-7-azonia-8-boranuidatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene]
CID 139172657
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
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
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

Frequently Asked Questions

What is the IUPAC name of 7-methyl-5-naphthalen-1-yl-9H-[1]benzoborolo[3,2-b]pyridin-9-ide;5-naphthalen-1-yl-7-(trifluoromethyl)-9H-[1]benzoborolo[3,2-b]pyridin-9-ide;platinum(2+)?
The IUPAC name of 7-methyl-5-naphthalen-1-yl-9H-[1]benzoborolo[3,2-b]pyridin-9-ide;5-naphthalen-1-yl-7-(trifluoromethyl)-9H-[1]benzoborolo[3,2-b]pyridin-9-ide;platinum(2+) (CID 58401872) is 7-methyl-5-naphthalen-1-yl-9H-[1]benzoborolo[3,2-b]pyridin-9-ide;5-naphthalen-1-yl-7-(trifluoromethyl)-9H-[1]benzoborolo[3,2-b]pyridin-9-ide;platinum(2+).
What is the SMILES notation for 7-methyl-5-naphthalen-1-yl-9H-[1]benzoborolo[3,2-b]pyridin-9-ide;5-naphthalen-1-yl-7-(trifluoromethyl)-9H-[1]benzoborolo[3,2-b]pyridin-9-ide;platinum(2+)?
The canonical SMILES for 7-methyl-5-naphthalen-1-yl-9H-[1]benzoborolo[3,2-b]pyridin-9-ide;5-naphthalen-1-yl-7-(trifluoromethyl)-9H-[1]benzoborolo[3,2-b]pyridin-9-ide;platinum(2+) is Cc1c[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 7-methyl-5-naphthalen-1-yl-9H-[1]benzoborolo[3,2-b]pyridin-9-ide;5-naphthalen-1-yl-7-(trifluoromethyl)-9H-[1]benzoborolo[3,2-b]pyridin-9-ide;platinum(2+)?
The InChIKey is CTUKIODEKPOOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12BF3N.C22H15BN.Pt/c24-22(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;1-15-11-12-18-21(14-15)23(20-10-5-13-24-22(18)20)19-9-4-7-16-6-2-3-8-17(16)19;/h1-10,12-13H;2-11,13-14H,1H3;/q2*-1;+2.
What are the key properties of 7-methyl-5-naphthalen-1-yl-9H-[1]benzoborolo[3,2-b]pyridin-9-ide;5-naphthalen-1-yl-7-(trifluoromethyl)-9H-[1]benzoborolo[3,2-b]pyridin-9-ide;platinum(2+)?
7-methyl-5-naphthalen-1-yl-9H-[1]benzoborolo[3,2-b]pyridin-9-ide;5-naphthalen-1-yl-7-(trifluoromethyl)-9H-[1]benzoborolo[3,2-b]pyridin-9-ide;platinum(2+) has a molecular weight of 857.41 g/mol, XLogP of 6.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-5-naphthalen-1-yl-9H-[1]benzoborolo[3,2-b]pyridin-9-ide;5-naphthalen-1-yl-7-(trifluoromethyl)-9H-[1]benzoborolo[3,2-b]pyridin-9-ide;platinum(2+) is sourced from PubChem (CID 58401872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).