platinum(4+);1-(trideuteriomethyl)-3-[3-[1-(trideuteriomethyl)-2H-imidazo[4,5-b]pyridin-2-id-3-yl]-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-2H-imidazo[4,5-b]pyridin-2-ide;3-(trifluoromethyl)carbazol-9-ide

C42H34F3N7Pt — CID 155650493

IUPACplatinum(4+);1-(trideuteriomethyl)-3-[3-[1-(trideuteriomethyl)-2H-imidazo[4,5-b]pyridin-2-id-3-yl]-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-2H-imidazo[4,5-b]pyridin-2-ide;3-(trifluoromethyl)carbazol-9-ide
SMILESFC(F)(F)c1ccc2[n-]c3ccccc3c2c1.[2H]C([2H])([2H])N1[CH-]N(c2[c-]c(N3[CH-]N(C([2H])([2H])[2H])c4cccnc43)cc(-c3c(C)cc(C)cc3C)c2)c2ncccc21.[Pt+4]
InChIInChI=1S/C29H27N6.C13H7F3N.Pt/c1-19-12-20(2)27(21(3)13-19)22-14-23(34-17-32(4)25-8-6-10-30-28(25)34)16-24(15-22)35-18-33(5)26-9-7-11-31-29(26)35;14-13(15,16)8-5-6-12-10(7-8)9-3-1-2-4-11(9)17-12;/h6-15,17-18H,1-5H3;1-7H;/q-3;-1;+4/i4D3,5D3;;
InChIKeyJPFZUTMAKXDJGX-SMONVQGESA-N
MW894.89 g/mol
LogP10.25
Rot. Bonds5

About platinum(4+);1-(trideuteriomethyl)-3-[3-[1-(trideuteriomethyl)-2H-imidazo[4,5-b]pyridin-2-id-3-yl]-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-2H-imidazo[4,5-b]pyridin-2-ide;3-(trifluoromethyl)carbazol-9-ide

platinum(4+);1-(trideuteriomethyl)-3-[3-[1-(trideuteriomethyl)-2H-imidazo[4,5-b]pyridin-2-id-3-yl]-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-2H-imidazo[4,5-b]pyridin-2-ide;3-(trifluoromethyl)carbazol-9-ide (PubChem CID 155650493) has the molecular formula C42H34F3N7Pt and a molecular weight of 894.89 g/mol. Its IUPAC name is platinum(4+);1-(trideuteriomethyl)-3-[3-[1-(trideuteriomethyl)-2H-imidazo[4,5-b]pyridin-2-id-3-yl]-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-2H-imidazo[4,5-b]pyridin-2-ide;3-(trifluoromethyl)carbazol-9-ide.

Molecular Properties

Compound Nameplatinum(4+);1-(trideuteriomethyl)-3-[3-[1-(trideuteriomethyl)-2H-imidazo[4,5-b]pyridin-2-id-3-yl]-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-2H-imidazo[4,5-b]pyridin-2-ide;3-(trifluoromethyl)carbazol-9-ide
PubChem CID155650493
Molecular FormulaC42H34F3N7Pt
Molecular Weight894.89 g/mol
Exact Mass894.29
IUPAC Nameplatinum(4+);1-(trideuteriomethyl)-3-[3-[1-(trideuteriomethyl)-2H-imidazo[4,5-b]pyridin-2-id-3-yl]-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-2H-imidazo[4,5-b]pyridin-2-ide;3-(trifluoromethyl)carbazol-9-ide
SMILESFC(F)(F)c1ccc2[n-]c3ccccc3c2c1.[2H]C([2H])([2H])N1[CH-]N(c2[c-]c(N3[CH-]N(C([2H])([2H])[2H])c4cccnc43)cc(-c3c(C)cc(C)cc3C)c2)c2ncccc21.[Pt+4]
InChIInChI=1S/C29H27N6.C13H7F3N.Pt/c1-19-12-20(2)27(21(3)13-19)22-14-23(34-17-32(4)25-8-6-10-30-28(25)34)16-24(15-22)35-18-33(5)26-9-7-11-31-29(26)35;14-13(15,16)8-5-6-12-10(7-8)9-3-1-2-4-11(9)17-12;/h6-15,17-18H,1-5H3;1-7H;/q-3;-1;+4/i4D3,5D3;;
InChIKeyJPFZUTMAKXDJGX-SMONVQGESA-N
XLogP10.25
TPSA52.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500894.89
LogP ≤ 510.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of platinum(4+);1-(trideuteriomethyl)-3-[3-[1-(trideuteriomethyl)-2H-imidazo[4,5-b]pyridin-2-id-3-yl]-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-2H-imidazo[4,5-b]pyridin-2-ide;3-(trifluoromethyl)carbazol-9-ide?
The IUPAC name of platinum(4+);1-(trideuteriomethyl)-3-[3-[1-(trideuteriomethyl)-2H-imidazo[4,5-b]pyridin-2-id-3-yl]-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-2H-imidazo[4,5-b]pyridin-2-ide;3-(trifluoromethyl)carbazol-9-ide (CID 155650493) is platinum(4+);1-(trideuteriomethyl)-3-[3-[1-(trideuteriomethyl)-2H-imidazo[4,5-b]pyridin-2-id-3-yl]-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-2H-imidazo[4,5-b]pyridin-2-ide;3-(trifluoromethyl)carbazol-9-ide.
What is the SMILES notation for platinum(4+);1-(trideuteriomethyl)-3-[3-[1-(trideuteriomethyl)-2H-imidazo[4,5-b]pyridin-2-id-3-yl]-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-2H-imidazo[4,5-b]pyridin-2-ide;3-(trifluoromethyl)carbazol-9-ide?
The canonical SMILES for platinum(4+);1-(trideuteriomethyl)-3-[3-[1-(trideuteriomethyl)-2H-imidazo[4,5-b]pyridin-2-id-3-yl]-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-2H-imidazo[4,5-b]pyridin-2-ide;3-(trifluoromethyl)carbazol-9-ide is FC(F)(F)c1ccc2[n-]c3ccccc3c2c1.[2H]C([2H])([2H])N1[CH-]N(c2[c-]c(N3[CH-]N(C([2H])([2H])[2H])c4cccnc43)cc(-c3c(C)cc(C)cc3C)c2)c2ncccc21.[Pt+4].
What is the InChIKey of platinum(4+);1-(trideuteriomethyl)-3-[3-[1-(trideuteriomethyl)-2H-imidazo[4,5-b]pyridin-2-id-3-yl]-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-2H-imidazo[4,5-b]pyridin-2-ide;3-(trifluoromethyl)carbazol-9-ide?
The InChIKey is JPFZUTMAKXDJGX-SMONVQGESA-N. The full InChI is InChI=1S/C29H27N6.C13H7F3N.Pt/c1-19-12-20(2)27(21(3)13-19)22-14-23(34-17-32(4)25-8-6-10-30-28(25)34)16-24(15-22)35-18-33(5)26-9-7-11-31-29(26)35;14-13(15,16)8-5-6-12-10(7-8)9-3-1-2-4-11(9)17-12;/h6-15,17-18H,1-5H3;1-7H;/q-3;-1;+4/i4D3,5D3;;.
What are the key properties of platinum(4+);1-(trideuteriomethyl)-3-[3-[1-(trideuteriomethyl)-2H-imidazo[4,5-b]pyridin-2-id-3-yl]-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-2H-imidazo[4,5-b]pyridin-2-ide;3-(trifluoromethyl)carbazol-9-ide?
platinum(4+);1-(trideuteriomethyl)-3-[3-[1-(trideuteriomethyl)-2H-imidazo[4,5-b]pyridin-2-id-3-yl]-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-2H-imidazo[4,5-b]pyridin-2-ide;3-(trifluoromethyl)carbazol-9-ide has a molecular weight of 894.89 g/mol, XLogP of 10.25, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for platinum(4+);1-(trideuteriomethyl)-3-[3-[1-(trideuteriomethyl)-2H-imidazo[4,5-b]pyridin-2-id-3-yl]-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-2H-imidazo[4,5-b]pyridin-2-ide;3-(trifluoromethyl)carbazol-9-ide is sourced from PubChem (CID 155650493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).