2-tert-butyl-9-phenyl-1-[1-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-3-(trideuteriomethyl)-2H-benzimidazol-3-ium-2-id-4-yl]carbazole;2-[3-[4-(9-phenylcarbazol-1-yl)-3-(trideuteriomethyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum

C102H70N10O2Pt2-4 — CID 157134096

About 2-tert-butyl-9-phenyl-1-[1-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-3-(trideuteriomethyl)-2H-benzimidazol-3-ium-2-id-4-yl]carbazole;2-[3-[4-(9-phenylcarbazol-1-yl)-3-(trideuteriomethyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum

2-tert-butyl-9-phenyl-1-[1-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-3-(trideuteriomethyl)-2H-benzimidazol-3-ium-2-id-4-yl]carbazole;2-[3-[4-(9-phenylcarbazol-1-yl)-3-(trideuteriomethyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum (PubChem CID 157134096) has the molecular formula C102H70N10O2Pt2-4 and a molecular weight of 1863.94 g/mol. Its IUPAC name is 2-tert-butyl-9-phenyl-1-[1-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-3-(trideuteriomethyl)-2H-benzimidazol-3-ium-2-id-4-yl]carbazole;2-[3-[4-(9-phenylcarbazol-1-yl)-3-(trideuteriomethyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-tert-butyl-9-phenyl-1-[1-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-3-(trideuteriomethyl)-2H-benzimidazol-3-ium-2-id-4-yl]carbazole;2-[3-[4-(9-phenylcarbazol-1-yl)-3-(trideuteriomethyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum
• PubChem CID: 157134096
• Molecular Formula: C102H70N10O2Pt2-4
• Molecular Weight: 1863.94 g/mol
• Exact Mass: 1862.54
• IUPAC Name: 2-tert-butyl-9-phenyl-1-[1-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-3-(trideuteriomethyl)-2H-benzimidazol-3-ium-2-id-4-yl]carbazole;2-[3-[4-(9-phenylcarbazol-1-yl)-3-(trideuteriomethyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum
• SMILES: [2H]C([2H])([2H])[n+]1[c-]n(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3ccccn3)ccc2)c2cccc(-c3c(C(C)(C)C)ccc4c5ccccc5n(-c5ccccc5)c34)c21.[2H]C([2H])([2H])[n+]1[c-]n(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3ccccn3)ccc2)c2cccc(-c3cccc4c5ccccc5n(-c5ccccc5)c34)c21.[Pt].[Pt]
• InChI: InChI=1S/C53H39N5O.C49H31N5O.2Pt/c1-53(2,3)44-30-29-42-40-21-9-10-23-45(40)57(35-16-6-5-7-17-35)52(42)50(44)43-22-15-25-47-51(43)55(4)34-56(47)36-18-14-19-37(32-36)59-38-27-28-41-39-20-8-11-24-46(39)58(48(41)33-38)49-26-12-13-31-54-49;1-51-32-52(34-16-11-17-35(30-34)55-36-27-28-39-37-18-5-8-24-44(37)54(46(39)31-36)47-26-9-10-29-50-47)45-25-13-22-42(49(45)51)41-21-12-20-40-38-19-6-7-23-43(38)53(48(40)41)33-14-3-2-4-15-33;;/h5-31H,1-4H3;2-29H,1H3;;/q2*-2;;/i4D3;1D3
• InChIKey: JCUOVENHCOZOAM-YKYRVZSCSA-N
• XLogP: 23.10
• TPSA: 81.58 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 14
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1863.94
LogP ≤ 5	23.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-9-phenyl-1-[1-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-3-(trideuteriomethyl)-2H-benzimidazol-3-ium-2-id-4-yl]carbazole;2-[3-[4-(9-phenylcarbazol-1-yl)-3-(trideuteriomethyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-tert-butyl-9-phenyl-1-[1-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-3-(trideuteriomethyl)-2H-benzimidazol-3-ium-2-id-4-yl]carbazole;2-[3-[4-(9-phenylcarbazol-1-yl)-3-(trideuteriomethyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum (CID 157134096) is 2-tert-butyl-9-phenyl-1-[1-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-3-(trideuteriomethyl)-2H-benzimidazol-3-ium-2-id-4-yl]carbazole;2-[3-[4-(9-phenylcarbazol-1-yl)-3-(trideuteriomethyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum.

What is the SMILES notation for 2-tert-butyl-9-phenyl-1-[1-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-3-(trideuteriomethyl)-2H-benzimidazol-3-ium-2-id-4-yl]carbazole;2-[3-[4-(9-phenylcarbazol-1-yl)-3-(trideuteriomethyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum?

The canonical SMILES for 2-tert-butyl-9-phenyl-1-[1-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-3-(trideuteriomethyl)-2H-benzimidazol-3-ium-2-id-4-yl]carbazole;2-[3-[4-(9-phenylcarbazol-1-yl)-3-(trideuteriomethyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum is [2H]C([2H])([2H])[n+]1[c-]n(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3ccccn3)ccc2)c2cccc(-c3c(C(C)(C)C)ccc4c5ccccc5n(-c5ccccc5)c34)c21.[2H]C([2H])([2H])[n+]1[c-]n(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3ccccn3)ccc2)c2cccc(-c3cccc4c5ccccc5n(-c5ccccc5)c34)c21.[Pt].[Pt].

What is the InChIKey of 2-tert-butyl-9-phenyl-1-[1-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-3-(trideuteriomethyl)-2H-benzimidazol-3-ium-2-id-4-yl]carbazole;2-[3-[4-(9-phenylcarbazol-1-yl)-3-(trideuteriomethyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum?

The InChIKey is JCUOVENHCOZOAM-YKYRVZSCSA-N. The full InChI is InChI=1S/C53H39N5O.C49H31N5O.2Pt/c1-53(2,3)44-30-29-42-40-21-9-10-23-45(40)57(35-16-6-5-7-17-35)52(42)50(44)43-22-15-25-47-51(43)55(4)34-56(47)36-18-14-19-37(32-36)59-38-27-28-41-39-20-8-11-24-46(39)58(48(41)33-38)49-26-12-13-31-54-49;1-51-32-52(34-16-11-17-35(30-34)55-36-27-28-39-37-18-5-8-24-44(37)54(46(39)31-36)47-26-9-10-29-50-47)45-25-13-22-42(49(45)51)41-21-12-20-40-38-19-6-7-23-43(38)53(48(40)41)33-14-3-2-4-15-33;;/h5-31H,1-4H3;2-29H,1H3;;/q2*-2;;/i4D3;1D3;;.

What are the key properties of 2-tert-butyl-9-phenyl-1-[1-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-3-(trideuteriomethyl)-2H-benzimidazol-3-ium-2-id-4-yl]carbazole;2-[3-[4-(9-phenylcarbazol-1-yl)-3-(trideuteriomethyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum?

2-tert-butyl-9-phenyl-1-[1-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-3-(trideuteriomethyl)-2H-benzimidazol-3-ium-2-id-4-yl]carbazole;2-[3-[4-(9-phenylcarbazol-1-yl)-3-(trideuteriomethyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum has a molecular weight of 1863.94 g/mol, XLogP of 23.10, 14 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-9-phenyl-1-[1-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-3-(trideuteriomethyl)-2H-benzimidazol-3-ium-2-id-4-yl]carbazole;2-[3-[4-(9-phenylcarbazol-1-yl)-3-(trideuteriomethyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 157134096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).