6-[3-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-2-id-1-yl]-5,7-bis(trideuteriomethyl)indolo[2,3-b]carbazole;platinum

C51H35N6OPt-3 — CID 166006778

About 6-[3-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-2-id-1-yl]-5,7-bis(trideuteriomethyl)indolo[2,3-b]carbazole;platinum

6-[3-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-2-id-1-yl]-5,7-bis(trideuteriomethyl)indolo[2,3-b]carbazole;platinum (PubChem CID 166006778) has the molecular formula C51H35N6OPt-3 and a molecular weight of 949.00 g/mol. Its IUPAC name is 6-[3-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-2-id-1-yl]-5,7-bis(trideuteriomethyl)indolo[2,3-b]carbazole;platinum.

Molecular Properties

• Compound Name: 6-[3-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-2-id-1-yl]-5,7-bis(trideuteriomethyl)indolo[2,3-b]carbazole;platinum
• PubChem CID: 166006778
• Molecular Formula: C51H35N6OPt-3
• Molecular Weight: 949.00 g/mol
• Exact Mass: 948.29
• IUPAC Name: 6-[3-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-2-id-1-yl]-5,7-bis(trideuteriomethyl)indolo[2,3-b]carbazole;platinum
• SMILES: [2H]C([2H])([2H])n1c2ccccc2c2cc3c4ccccc4n(C([2H])([2H])[2H])c3c(N3[CH-]N(c4[c-]c(Oc5[c-]c6c(cc5)c5ccccc5n6-c5cc(C)ccn5)ccc4)c4ccccc43)c21.[Pt]
• InChI: InChI=1S/C51H35N6O.Pt/c1-32-25-26-52-48(27-32)57-44-20-9-6-15-36(44)39-24-23-35(29-47(39)57)58-34-14-12-13-33(28-34)55-31-56(46-22-11-10-21-45(46)55)51-49-40(37-16-4-7-18-42(37)53(49)2)30-41-38-17-5-8-19-43(38)54(3)50(41)51;/h4-27,30-31H,1-3H3;/q-3;/i2D3,3D3
• InChIKey: HMGFACKXGDKDCD-HVTBMTIBSA-N
• XLogP: 12.58
• TPSA: 43.39 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	949.00
LogP ≤ 5	12.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[3-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-2-id-1-yl]-5,7-bis(trideuteriomethyl)indolo[2,3-b]carbazole;platinum?

The IUPAC name of 6-[3-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-2-id-1-yl]-5,7-bis(trideuteriomethyl)indolo[2,3-b]carbazole;platinum (CID 166006778) is 6-[3-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-2-id-1-yl]-5,7-bis(trideuteriomethyl)indolo[2,3-b]carbazole;platinum.

What is the SMILES notation for 6-[3-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-2-id-1-yl]-5,7-bis(trideuteriomethyl)indolo[2,3-b]carbazole;platinum?

The canonical SMILES for 6-[3-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-2-id-1-yl]-5,7-bis(trideuteriomethyl)indolo[2,3-b]carbazole;platinum is [2H]C([2H])([2H])n1c2ccccc2c2cc3c4ccccc4n(C([2H])([2H])[2H])c3c(N3[CH-]N(c4[c-]c(Oc5[c-]c6c(cc5)c5ccccc5n6-c5cc(C)ccn5)ccc4)c4ccccc43)c21.[Pt].

What is the InChIKey of 6-[3-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-2-id-1-yl]-5,7-bis(trideuteriomethyl)indolo[2,3-b]carbazole;platinum?

The InChIKey is HMGFACKXGDKDCD-HVTBMTIBSA-N. The full InChI is InChI=1S/C51H35N6O.Pt/c1-32-25-26-52-48(27-32)57-44-20-9-6-15-36(44)39-24-23-35(29-47(39)57)58-34-14-12-13-33(28-34)55-31-56(46-22-11-10-21-45(46)55)51-49-40(37-16-4-7-18-42(37)53(49)2)30-41-38-17-5-8-19-43(38)54(3)50(41)51;/h4-27,30-31H,1-3H3;/q-3;/i2D3,3D3;.

What are the key properties of 6-[3-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-2-id-1-yl]-5,7-bis(trideuteriomethyl)indolo[2,3-b]carbazole;platinum?

6-[3-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-2-id-1-yl]-5,7-bis(trideuteriomethyl)indolo[2,3-b]carbazole;platinum has a molecular weight of 949.00 g/mol, XLogP of 12.58, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-2-id-1-yl]-5,7-bis(trideuteriomethyl)indolo[2,3-b]carbazole;platinum is sourced from PubChem (CID 166006778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).