6-[3-[3-[[8-tert-butyl-9-(4-methyl-5-phenyl-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

C61H47N6OPt-3 — CID 166006717

About 6-[3-[3-[[8-tert-butyl-9-(4-methyl-5-phenyl-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-[[8-tert-butyl-9-(4-methyl-5-phenyl-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 166006717) has the molecular formula C61H47N6OPt-3 and a molecular weight of 1081.20 g/mol. Its IUPAC name is 6-[3-[3-[[8-tert-butyl-9-(4-methyl-5-phenyl-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-[[8-tert-butyl-9-(4-methyl-5-phenyl-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: 166006717
• Molecular Formula: C61H47N6OPt-3
• Molecular Weight: 1081.20 g/mol
• Exact Mass: 1080.39
• IUPAC Name: 6-[3-[3-[[8-tert-butyl-9-(4-methyl-5-phenyl-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)c5cccc(C(C)(C)C)c5n6-c5cc(C)c(-c6ccccc6)cn5)ccc4)c4ccccc43)c21.[Pt]
• InChI: InChI=1S/C61H47N6O.Pt/c1-38-32-56(62-36-49(38)39-18-8-7-9-19-39)67-55-34-42(30-31-45(55)46-24-17-25-50(57(46)67)61(2,3)4)68-41-21-16-20-40(33-41)65-37-66(54-29-15-14-28-53(54)65)60-58-47(43-22-10-12-26-51(43)63(58)5)35-48-44-23-11-13-27-52(44)64(6)59(48)60;/h7-32,35-37H,1-6H3;/q-3;/i5D3,6D3
• InChIKey: JWOWGHZCZBQPHQ-PKKCSIJHSA-N
• XLogP: 15.54
• TPSA: 43.39 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1081.20
LogP ≤ 5	15.54
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-[[8-tert-butyl-9-(4-methyl-5-phenyl-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-[[8-tert-butyl-9-(4-methyl-5-phenyl-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 166006717) is 6-[3-[3-[[8-tert-butyl-9-(4-methyl-5-phenyl-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-[[8-tert-butyl-9-(4-methyl-5-phenyl-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-[[8-tert-butyl-9-(4-methyl-5-phenyl-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)c5cccc(C(C)(C)C)c5n6-c5cc(C)c(-c6ccccc6)cn5)ccc4)c4ccccc43)c21.[Pt].

What is the InChIKey of 6-[3-[3-[[8-tert-butyl-9-(4-methyl-5-phenyl-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 JWOWGHZCZBQPHQ-PKKCSIJHSA-N. The full InChI is InChI=1S/C61H47N6O.Pt/c1-38-32-56(62-36-49(38)39-18-8-7-9-19-39)67-55-34-42(30-31-45(55)46-24-17-25-50(57(46)67)61(2,3)4)68-41-21-16-20-40(33-41)65-37-66(54-29-15-14-28-53(54)65)60-58-47(43-22-10-12-26-51(43)63(58)5)35-48-44-23-11-13-27-52(44)64(6)59(48)60;/h7-32,35-37H,1-6H3;/q-3;/i5D3,6D3;.

What are the key properties of 6-[3-[3-[[8-tert-butyl-9-(4-methyl-5-phenyl-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-[[8-tert-butyl-9-(4-methyl-5-phenyl-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 1081.20 g/mol, XLogP of 15.54, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-[3-[[8-tert-butyl-9-(4-methyl-5-phenyl-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 166006717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).