3-tert-butyl-1-[3-[9-[9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]fluoren-9-yl]benzene-2-id-1-yl]-2,1,3-benzoxadiazol-2-ium;1-methyl-3-[3-[9-[9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]fluoren-9-yl]benzene-2-id-1-yl]-2,1,3-benzoxadiazol-2-ium;1-[3-[9-[9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]fluoren-9-yl]benzene-2-id-1-yl]-3-propan-2-yl-2,1,3-benzoxadiazol-2-ium;1-phenyl-3-[3-[9-[9-[4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]fluoren-9-yl]benzene-2-id-1-yl]-2,1,3-benzoxadiazol-2-ium;platinum

C201H142N16O4Pt4-4 — CID 159058755

About 3-tert-butyl-1-[3-[9-[9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]fluoren-9-yl]benzene-2-id-1-yl]-2,1,3-benzoxadiazol-2-ium;1-methyl-3-[3-[9-[9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]fluoren-9-yl]benzene-2-id-1-yl]-2,1,3-benzoxadiazol-2-ium;1-[3-[9-[9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]fluoren-9-yl]benzene-2-id-1-yl]-3-propan-2-yl-2,1,3-benzoxadiazol-2-ium;1-phenyl-3-[3-[9-[9-[4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]fluoren-9-yl]benzene-2-id-1-yl]-2,1,3-benzoxadiazol-2-ium;platinum

3-tert-butyl-1-[3-[9-[9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]fluoren-9-yl]benzene-2-id-1-yl]-2,1,3-benzoxadiazol-2-ium;1-methyl-3-[3-[9-[9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]fluoren-9-yl]benzene-2-id-1-yl]-2,1,3-benzoxadiazol-2-ium;1-[3-[9-[9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]fluoren-9-yl]benzene-2-id-1-yl]-3-propan-2-yl-2,1,3-benzoxadiazol-2-ium;1-phenyl-3-[3-[9-[9-[4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]fluoren-9-yl]benzene-2-id-1-yl]-2,1,3-benzoxadiazol-2-ium;platinum (PubChem CID 159058755) has the molecular formula C201H142N16O4Pt4-4 and a molecular weight of 3628.79 g/mol. Its IUPAC name is 3-tert-butyl-1-[3-[9-[9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]fluoren-9-yl]benzene-2-id-1-yl]-2,1,3-benzoxadiazol-2-ium;1-methyl-3-[3-[9-[9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]fluoren-9-yl]benzene-2-id-1-yl]-2,1,3-benzoxadiazol-2-ium;1-[3-[9-[9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]fluoren-9-yl]benzene-2-id-1-yl]-3-propan-2-yl-2,1,3-benzoxadiazol-2-ium;1-phenyl-3-[3-[9-[9-[4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]fluoren-9-yl]benzene-2-id-1-yl]-2,1,3-benzoxadiazol-2-ium;platinum.

Molecular Properties

• Compound Name: 3-tert-butyl-1-[3-[9-[9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]fluoren-9-yl]benzene-2-id-1-yl]-2,1,3-benzoxadiazol-2-ium;1-methyl-3-[3-[9-[9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]fluoren-9-yl]benzene-2-id-1-yl]-2,1,3-benzoxadiazol-2-ium;1-[3-[9-[9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]fluoren-9-yl]benzene-2-id-1-yl]-3-propan-2-yl-2,1,3-benzoxadiazol-2-ium;1-phenyl-3-[3-[9-[9-[4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]fluoren-9-yl]benzene-2-id-1-yl]-2,1,3-benzoxadiazol-2-ium;platinum
• PubChem CID: 159058755
• Molecular Formula: C201H142N16O4Pt4-4
• Molecular Weight: 3628.79 g/mol
• Exact Mass: 3626.02
• IUPAC Name: 3-tert-butyl-1-[3-[9-[9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]fluoren-9-yl]benzene-2-id-1-yl]-2,1,3-benzoxadiazol-2-ium;1-methyl-3-[3-[9-[9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]fluoren-9-yl]benzene-2-id-1-yl]-2,1,3-benzoxadiazol-2-ium;1-[3-[9-[9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]fluoren-9-yl]benzene-2-id-1-yl]-3-propan-2-yl-2,1,3-benzoxadiazol-2-ium;1-phenyl-3-[3-[9-[9-[4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]fluoren-9-yl]benzene-2-id-1-yl]-2,1,3-benzoxadiazol-2-ium;platinum
• SMILES: CC(C)(C)N1[OH+]N(c2[c-]c(C3(c4[c-]c5c(cc4)c4ccccc4n5-c4cc(-c5ccccc5)ccn4)c4ccccc4-c4ccccc43)ccc2)c2ccccc21.CC(C)N1[OH+]N(c2[c-]c(C3(c4[c-]c5c(cc4)c4ccccc4n5-c4cc(-c5ccccc5)ccn4)c4ccccc4-c4ccccc43)ccc2)c2ccccc21.CN1[OH+]N(c2[c-]c(C3(c4[c-]c5c(cc4)c4ccccc4n5-c4cc(-c5ccccc5)ccn4)c4ccccc4-c4ccccc43)ccc2)c2ccccc21.[2H]C([2H])([2H])c1ccnc(-n2c3[c-]c(C4(c5[c-]c(N6[OH+]N(c7ccccc7)c7ccccc76)ccc5)c5ccccc5-c5ccccc54)ccc3c3ccccc32)c1.[Pt].[Pt].[Pt].[Pt]
• InChI: InChI=1S/C52H38N4O.C51H36N4O.2C49H32N4O.4Pt/c1-51(2,3)56-48-27-14-13-26-47(48)55(57-56)39-19-15-18-37(33-39)52(44-23-10-7-20-40(44)41-21-8-11-24-45(41)52)38-28-29-43-42-22-9-12-25-46(42)54(49(43)34-38)50-32-36(30-31-53-50)35-16-5-4-6-17-35;1-34(2)54-47-25-12-13-26-48(47)55(56-54)39-18-14-17-37(32-39)51(44-22-9-6-19-40(44)41-20-7-10-23-45(41)51)38-27-28-43-42-21-8-11-24-46(42)53(49(43)33-38)50-31-36(29-30-52-50)35-15-4-3-5-16-35;1-33-28-29-50-48(30-33)51-44-23-10-7-20-40(44)41-27-26-35(32-47(41)51)49(42-21-8-5-18-38(42)39-19-6-9-22-43(39)49)34-14-13-17-37(31-34)53-46-25-12-11-24-45(46)52(54-53)36-15-3-2-4-16-36;1-51-45-24-11-12-25-46(45)53(54-51)37-17-13-16-35(31-37)49(42-21-8-5-18-38(42)39-19-6-9-22-43(39)49)36-26-27-41-40-20-7-10-23-44(40)52(47(41)32-36)48-30-34(28-29-50-48)33-14-3-2-4-15-33;;;;/h4-32H,1-3H3;3-31,34H,1-2H3;2*2-30H,1H3;;;;/q4*-2;;;;/p+4/i;;1D3
• InChIKey: KEPLNPKTPBXROP-UYAHGHIMSA-R
• XLogP: 47.23
• TPSA: 148.40 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 22
• Heavy Atoms: 225
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3628.79
LogP ≤ 5	47.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-[3-[9-[9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]fluoren-9-yl]benzene-2-id-1-yl]-2,1,3-benzoxadiazol-2-ium;1-methyl-3-[3-[9-[9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]fluoren-9-yl]benzene-2-id-1-yl]-2,1,3-benzoxadiazol-2-ium;1-[3-[9-[9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]fluoren-9-yl]benzene-2-id-1-yl]-3-propan-2-yl-2,1,3-benzoxadiazol-2-ium;1-phenyl-3-[3-[9-[9-[4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]fluoren-9-yl]benzene-2-id-1-yl]-2,1,3-benzoxadiazol-2-ium;platinum?

The IUPAC name of 3-tert-butyl-1-[3-[9-[9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]fluoren-9-yl]benzene-2-id-1-yl]-2,1,3-benzoxadiazol-2-ium;1-methyl-3-[3-[9-[9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]fluoren-9-yl]benzene-2-id-1-yl]-2,1,3-benzoxadiazol-2-ium;1-[3-[9-[9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]fluoren-9-yl]benzene-2-id-1-yl]-3-propan-2-yl-2,1,3-benzoxadiazol-2-ium;1-phenyl-3-[3-[9-[9-[4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]fluoren-9-yl]benzene-2-id-1-yl]-2,1,3-benzoxadiazol-2-ium;platinum (CID 159058755) is 3-tert-butyl-1-[3-[9-[9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]fluoren-9-yl]benzene-2-id-1-yl]-2,1,3-benzoxadiazol-2-ium;1-methyl-3-[3-[9-[9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]fluoren-9-yl]benzene-2-id-1-yl]-2,1,3-benzoxadiazol-2-ium;1-[3-[9-[9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]fluoren-9-yl]benzene-2-id-1-yl]-3-propan-2-yl-2,1,3-benzoxadiazol-2-ium;1-phenyl-3-[3-[9-[9-[4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]fluoren-9-yl]benzene-2-id-1-yl]-2,1,3-benzoxadiazol-2-ium;platinum.

What is the SMILES notation for 3-tert-butyl-1-[3-[9-[9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]fluoren-9-yl]benzene-2-id-1-yl]-2,1,3-benzoxadiazol-2-ium;1-methyl-3-[3-[9-[9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]fluoren-9-yl]benzene-2-id-1-yl]-2,1,3-benzoxadiazol-2-ium;1-[3-[9-[9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]fluoren-9-yl]benzene-2-id-1-yl]-3-propan-2-yl-2,1,3-benzoxadiazol-2-ium;1-phenyl-3-[3-[9-[9-[4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]fluoren-9-yl]benzene-2-id-1-yl]-2,1,3-benzoxadiazol-2-ium;platinum?

The canonical SMILES for 3-tert-butyl-1-[3-[9-[9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]fluoren-9-yl]benzene-2-id-1-yl]-2,1,3-benzoxadiazol-2-ium;1-methyl-3-[3-[9-[9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]fluoren-9-yl]benzene-2-id-1-yl]-2,1,3-benzoxadiazol-2-ium;1-[3-[9-[9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]fluoren-9-yl]benzene-2-id-1-yl]-3-propan-2-yl-2,1,3-benzoxadiazol-2-ium;1-phenyl-3-[3-[9-[9-[4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]fluoren-9-yl]benzene-2-id-1-yl]-2,1,3-benzoxadiazol-2-ium;platinum is CC(C)(C)N1[OH+]N(c2[c-]c(C3(c4[c-]c5c(cc4)c4ccccc4n5-c4cc(-c5ccccc5)ccn4)c4ccccc4-c4ccccc43)ccc2)c2ccccc21.CC(C)N1[OH+]N(c2[c-]c(C3(c4[c-]c5c(cc4)c4ccccc4n5-c4cc(-c5ccccc5)ccn4)c4ccccc4-c4ccccc43)ccc2)c2ccccc21.CN1[OH+]N(c2[c-]c(C3(c4[c-]c5c(cc4)c4ccccc4n5-c4cc(-c5ccccc5)ccn4)c4ccccc4-c4ccccc43)ccc2)c2ccccc21.[2H]C([2H])([2H])c1ccnc(-n2c3[c-]c(C4(c5[c-]c(N6[OH+]N(c7ccccc7)c7ccccc76)ccc5)c5ccccc5-c5ccccc54)ccc3c3ccccc32)c1.[Pt].[Pt].[Pt].[Pt].

What is the InChIKey of 3-tert-butyl-1-[3-[9-[9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]fluoren-9-yl]benzene-2-id-1-yl]-2,1,3-benzoxadiazol-2-ium;1-methyl-3-[3-[9-[9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]fluoren-9-yl]benzene-2-id-1-yl]-2,1,3-benzoxadiazol-2-ium;1-[3-[9-[9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]fluoren-9-yl]benzene-2-id-1-yl]-3-propan-2-yl-2,1,3-benzoxadiazol-2-ium;1-phenyl-3-[3-[9-[9-[4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]fluoren-9-yl]benzene-2-id-1-yl]-2,1,3-benzoxadiazol-2-ium;platinum?

The InChIKey is KEPLNPKTPBXROP-UYAHGHIMSA-R. The full InChI is InChI=1S/C52H38N4O.C51H36N4O.2C49H32N4O.4Pt/c1-51(2,3)56-48-27-14-13-26-47(48)55(57-56)39-19-15-18-37(33-39)52(44-23-10-7-20-40(44)41-21-8-11-24-45(41)52)38-28-29-43-42-22-9-12-25-46(42)54(49(43)34-38)50-32-36(30-31-53-50)35-16-5-4-6-17-35;1-34(2)54-47-25-12-13-26-48(47)55(56-54)39-18-14-17-37(32-39)51(44-22-9-6-19-40(44)41-20-7-10-23-45(41)51)38-27-28-43-42-21-8-11-24-46(42)53(49(43)33-38)50-31-36(29-30-52-50)35-15-4-3-5-16-35;1-33-28-29-50-48(30-33)51-44-23-10-7-20-40(44)41-27-26-35(32-47(41)51)49(42-21-8-5-18-38(42)39-19-6-9-22-43(39)49)34-14-13-17-37(31-34)53-46-25-12-11-24-45(46)52(54-53)36-15-3-2-4-16-36;1-51-45-24-11-12-25-46(45)53(54-51)37-17-13-16-35(31-37)49(42-21-8-5-18-38(42)39-19-6-9-22-43(39)49)36-26-27-41-40-20-7-10-23-44(40)52(47(41)32-36)48-30-34(28-29-50-48)33-14-3-2-4-15-33;;;;/h4-32H,1-3H3;3-31,34H,1-2H3;2*2-30H,1H3;;;;/q4*-2;;;;/p+4/i;;1D3;;;;;.

What are the key properties of 3-tert-butyl-1-[3-[9-[9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]fluoren-9-yl]benzene-2-id-1-yl]-2,1,3-benzoxadiazol-2-ium;1-methyl-3-[3-[9-[9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]fluoren-9-yl]benzene-2-id-1-yl]-2,1,3-benzoxadiazol-2-ium;1-[3-[9-[9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]fluoren-9-yl]benzene-2-id-1-yl]-3-propan-2-yl-2,1,3-benzoxadiazol-2-ium;1-phenyl-3-[3-[9-[9-[4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]fluoren-9-yl]benzene-2-id-1-yl]-2,1,3-benzoxadiazol-2-ium;platinum?

3-tert-butyl-1-[3-[9-[9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]fluoren-9-yl]benzene-2-id-1-yl]-2,1,3-benzoxadiazol-2-ium;1-methyl-3-[3-[9-[9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]fluoren-9-yl]benzene-2-id-1-yl]-2,1,3-benzoxadiazol-2-ium;1-[3-[9-[9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]fluoren-9-yl]benzene-2-id-1-yl]-3-propan-2-yl-2,1,3-benzoxadiazol-2-ium;1-phenyl-3-[3-[9-[9-[4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]fluoren-9-yl]benzene-2-id-1-yl]-2,1,3-benzoxadiazol-2-ium;platinum has a molecular weight of 3628.79 g/mol, XLogP of 47.23, 22 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 3-tert-butyl-1-[3-[9-[9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]fluoren-9-yl]benzene-2-id-1-yl]-2,1,3-benzoxadiazol-2-ium;1-methyl-3-[3-[9-[9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]fluoren-9-yl]benzene-2-id-1-yl]-2,1,3-benzoxadiazol-2-ium;1-[3-[9-[9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]fluoren-9-yl]benzene-2-id-1-yl]-3-propan-2-yl-2,1,3-benzoxadiazol-2-ium;1-phenyl-3-[3-[9-[9-[4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]fluoren-9-yl]benzene-2-id-1-yl]-2,1,3-benzoxadiazol-2-ium;platinum is sourced from PubChem (CID 159058755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).