3,6-bis(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

C43H33F6N7Pt — CID 155650477

About 3,6-bis(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

3,6-bis(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 (PubChem CID 155650477) has the molecular formula C43H33F6N7Pt and a molecular weight of 962.89 g/mol. Its IUPAC name is 3,6-bis(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.

Molecular Properties

• Compound Name: 3,6-bis(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
• PubChem CID: 155650477
• Molecular Formula: C43H33F6N7Pt
• Molecular Weight: 962.89 g/mol
• Exact Mass: 962.27
• IUPAC Name: 3,6-bis(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
• SMILES: FC(F)(F)c1ccc2[n-]c3ccc(C(F)(F)F)cc3c2c1.[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]
• InChI: InChI=1S/C29H27N6.C14H6F6N.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;15-13(16,17)7-1-3-11-9(5-7)10-6-8(14(18,19)20)2-4-12(10)21-11;/h6-15,17-18H,1-5H3;1-6H;/q-3;-1;+4/i4D3,5D3
• InChIKey: PBVAMCHFLLUAGA-SMONVQGESA-N
• XLogP: 11.27
• TPSA: 52.84 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	962.89
LogP ≤ 5	11.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3,6-bis(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?

The IUPAC name of 3,6-bis(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 (CID 155650477) is 3,6-bis(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.

What is the SMILES notation for 3,6-bis(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?

The canonical SMILES for 3,6-bis(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 is FC(F)(F)c1ccc2[n-]c3ccc(C(F)(F)F)cc3c2c1.[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 3,6-bis(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?

The InChIKey is PBVAMCHFLLUAGA-SMONVQGESA-N. The full InChI is InChI=1S/C29H27N6.C14H6F6N.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;15-13(16,17)7-1-3-11-9(5-7)10-6-8(14(18,19)20)2-4-12(10)21-11;/h6-15,17-18H,1-5H3;1-6H;/q-3;-1;+4/i4D3,5D3;;.

What are the key properties of 3,6-bis(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?

3,6-bis(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 has a molecular weight of 962.89 g/mol, XLogP of 11.27, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3,6-bis(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 is sourced from PubChem (CID 155650477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).