3-tert-butyl-1-[3-[9-[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]fluoren-9-yl]benzene-2-id-1-yl]-2,1,3-benzoxadiazol-2-ium;3-[3-[[9-[4-(2,6-diphenylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]sulfanyl]benzene-2-id-1-yl]-1-phenyl-2,1,3-benzoxadiazol-2-ium;1-methyl-3-[3-[9-[9-(4-methyl-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-methyl-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;platinum

C190H138N16O4Pt4S-4 — CID 157383439

About 3-tert-butyl-1-[3-[9-[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]fluoren-9-yl]benzene-2-id-1-yl]-2,1,3-benzoxadiazol-2-ium;3-[3-[[9-[4-(2,6-diphenylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]sulfanyl]benzene-2-id-1-yl]-1-phenyl-2,1,3-benzoxadiazol-2-ium;1-methyl-3-[3-[9-[9-(4-methyl-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-methyl-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;platinum

3-tert-butyl-1-[3-[9-[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]fluoren-9-yl]benzene-2-id-1-yl]-2,1,3-benzoxadiazol-2-ium;3-[3-[[9-[4-(2,6-diphenylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]sulfanyl]benzene-2-id-1-yl]-1-phenyl-2,1,3-benzoxadiazol-2-ium;1-methyl-3-[3-[9-[9-(4-methyl-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-methyl-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;platinum (PubChem CID 157383439) has the molecular formula C190H138N16O4Pt4S-4 and a molecular weight of 3521.68 g/mol. Its IUPAC name is 3-tert-butyl-1-[3-[9-[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]fluoren-9-yl]benzene-2-id-1-yl]-2,1,3-benzoxadiazol-2-ium;3-[3-[[9-[4-(2,6-diphenylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]sulfanyl]benzene-2-id-1-yl]-1-phenyl-2,1,3-benzoxadiazol-2-ium;1-methyl-3-[3-[9-[9-(4-methyl-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-methyl-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;platinum.

Molecular Properties

• Compound Name: 3-tert-butyl-1-[3-[9-[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]fluoren-9-yl]benzene-2-id-1-yl]-2,1,3-benzoxadiazol-2-ium;3-[3-[[9-[4-(2,6-diphenylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]sulfanyl]benzene-2-id-1-yl]-1-phenyl-2,1,3-benzoxadiazol-2-ium;1-methyl-3-[3-[9-[9-(4-methyl-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-methyl-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;platinum
• PubChem CID: 157383439
• Molecular Formula: C190H138N16O4Pt4S-4
• Molecular Weight: 3521.68 g/mol
• Exact Mass: 3518.94
• IUPAC Name: 3-tert-butyl-1-[3-[9-[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]fluoren-9-yl]benzene-2-id-1-yl]-2,1,3-benzoxadiazol-2-ium;3-[3-[[9-[4-(2,6-diphenylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]sulfanyl]benzene-2-id-1-yl]-1-phenyl-2,1,3-benzoxadiazol-2-ium;1-methyl-3-[3-[9-[9-(4-methyl-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-methyl-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;platinum
• SMILES: Cc1ccnc(-n2c3[c-]c(C4(c5[c-]c(N6[OH+]N(C(C)(C)C)c7ccccc76)ccc5)c5ccccc5-c5ccccc54)ccc3c3ccccc32)c1.Cc1ccnc(-n2c3[c-]c(C4(c5[c-]c(N6[OH+]N(C(C)C)c7ccccc76)ccc5)c5ccccc5-c5ccccc54)ccc3c3ccccc32)c1.Cc1ccnc(-n2c3[c-]c(C4(c5[c-]c(N6[OH+]N(C)c7ccccc76)ccc5)c5ccccc5-c5ccccc54)ccc3c3ccccc32)c1.[Pt].[Pt].[Pt].[Pt].[c-]1c(Sc2[c-]c3c(cc2)c2ccccc2n3-c2cc(-c3c(-c4ccccc4)cccc3-c3ccccc3)ccn2)cccc1N1[OH+]N(c2ccccc2)c2ccccc21
• InChI: InChI=1S/C53H34N4OS.C47H36N4O.C46H34N4O.C44H30N4O.4Pt/c1-4-16-37(17-5-1)44-25-15-26-45(38-18-6-2-7-19-38)53(44)39-32-33-54-52(34-39)55-48-27-11-10-24-46(48)47-31-30-43(36-51(47)55)59-42-23-14-22-41(35-42)57-50-29-13-12-28-49(50)56(58-57)40-20-8-3-9-21-40;1-31-26-27-48-45(28-31)49-41-21-10-7-18-37(41)38-25-24-33(30-44(38)49)47(39-19-8-5-16-35(39)36-17-6-9-20-40(36)47)32-14-13-15-34(29-32)50-42-22-11-12-23-43(42)51(52-50)46(2,3)4;1-30(2)49-42-21-10-11-22-43(42)50(51-49)34-14-12-13-32(28-34)46(39-18-7-4-15-35(39)36-16-5-8-19-40(36)46)33-23-24-38-37-17-6-9-20-41(37)48(44(38)29-33)45-27-31(3)25-26-47-45;1-29-24-25-45-43(26-29)47-39-19-8-5-16-35(39)36-23-22-31(28-42(36)47)44(37-17-6-3-14-33(37)34-15-4-7-18-38(34)44)30-12-11-13-32(27-30)48-41-21-10-9-20-40(41)46(2)49-48;;;;/h1-34H;5-28H,1-4H3;4-27,30H,1-3H3;3-26H,1-2H3;;;;/q4*-2;;;;/p+4
• InChIKey: JYMPMZRHJZJSTO-UHFFFAOYSA-R
• XLogP: 45.63
• TPSA: 148.40 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 21
• Heavy Atoms: 215
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3521.68
LogP ≤ 5	45.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

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-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]fluoren-9-yl]benzene-2-id-1-yl]-2,1,3-benzoxadiazol-2-ium;3-[3-[[9-[4-(2,6-diphenylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]sulfanyl]benzene-2-id-1-yl]-1-phenyl-2,1,3-benzoxadiazol-2-ium;1-methyl-3-[3-[9-[9-(4-methyl-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-methyl-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;platinum?

The IUPAC name of 3-tert-butyl-1-[3-[9-[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]fluoren-9-yl]benzene-2-id-1-yl]-2,1,3-benzoxadiazol-2-ium;3-[3-[[9-[4-(2,6-diphenylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]sulfanyl]benzene-2-id-1-yl]-1-phenyl-2,1,3-benzoxadiazol-2-ium;1-methyl-3-[3-[9-[9-(4-methyl-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-methyl-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;platinum (CID 157383439) is 3-tert-butyl-1-[3-[9-[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]fluoren-9-yl]benzene-2-id-1-yl]-2,1,3-benzoxadiazol-2-ium;3-[3-[[9-[4-(2,6-diphenylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]sulfanyl]benzene-2-id-1-yl]-1-phenyl-2,1,3-benzoxadiazol-2-ium;1-methyl-3-[3-[9-[9-(4-methyl-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-methyl-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;platinum.

What is the SMILES notation for 3-tert-butyl-1-[3-[9-[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]fluoren-9-yl]benzene-2-id-1-yl]-2,1,3-benzoxadiazol-2-ium;3-[3-[[9-[4-(2,6-diphenylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]sulfanyl]benzene-2-id-1-yl]-1-phenyl-2,1,3-benzoxadiazol-2-ium;1-methyl-3-[3-[9-[9-(4-methyl-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-methyl-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;platinum?

The canonical SMILES for 3-tert-butyl-1-[3-[9-[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]fluoren-9-yl]benzene-2-id-1-yl]-2,1,3-benzoxadiazol-2-ium;3-[3-[[9-[4-(2,6-diphenylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]sulfanyl]benzene-2-id-1-yl]-1-phenyl-2,1,3-benzoxadiazol-2-ium;1-methyl-3-[3-[9-[9-(4-methyl-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-methyl-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;platinum is Cc1ccnc(-n2c3[c-]c(C4(c5[c-]c(N6[OH+]N(C(C)(C)C)c7ccccc76)ccc5)c5ccccc5-c5ccccc54)ccc3c3ccccc32)c1.Cc1ccnc(-n2c3[c-]c(C4(c5[c-]c(N6[OH+]N(C(C)C)c7ccccc76)ccc5)c5ccccc5-c5ccccc54)ccc3c3ccccc32)c1.Cc1ccnc(-n2c3[c-]c(C4(c5[c-]c(N6[OH+]N(C)c7ccccc76)ccc5)c5ccccc5-c5ccccc54)ccc3c3ccccc32)c1.[Pt].[Pt].[Pt].[Pt].[c-]1c(Sc2[c-]c3c(cc2)c2ccccc2n3-c2cc(-c3c(-c4ccccc4)cccc3-c3ccccc3)ccn2)cccc1N1[OH+]N(c2ccccc2)c2ccccc21.

What is the InChIKey of 3-tert-butyl-1-[3-[9-[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]fluoren-9-yl]benzene-2-id-1-yl]-2,1,3-benzoxadiazol-2-ium;3-[3-[[9-[4-(2,6-diphenylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]sulfanyl]benzene-2-id-1-yl]-1-phenyl-2,1,3-benzoxadiazol-2-ium;1-methyl-3-[3-[9-[9-(4-methyl-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-methyl-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;platinum?

The InChIKey is JYMPMZRHJZJSTO-UHFFFAOYSA-R. The full InChI is InChI=1S/C53H34N4OS.C47H36N4O.C46H34N4O.C44H30N4O.4Pt/c1-4-16-37(17-5-1)44-25-15-26-45(38-18-6-2-7-19-38)53(44)39-32-33-54-52(34-39)55-48-27-11-10-24-46(48)47-31-30-43(36-51(47)55)59-42-23-14-22-41(35-42)57-50-29-13-12-28-49(50)56(58-57)40-20-8-3-9-21-40;1-31-26-27-48-45(28-31)49-41-21-10-7-18-37(41)38-25-24-33(30-44(38)49)47(39-19-8-5-16-35(39)36-17-6-9-20-40(36)47)32-14-13-15-34(29-32)50-42-22-11-12-23-43(42)51(52-50)46(2,3)4;1-30(2)49-42-21-10-11-22-43(42)50(51-49)34-14-12-13-32(28-34)46(39-18-7-4-15-35(39)36-16-5-8-19-40(36)46)33-23-24-38-37-17-6-9-20-41(37)48(44(38)29-33)45-27-31(3)25-26-47-45;1-29-24-25-45-43(26-29)47-39-19-8-5-16-35(39)36-23-22-31(28-42(36)47)44(37-17-6-3-14-33(37)34-15-4-7-18-38(34)44)30-12-11-13-32(27-30)48-41-21-10-9-20-40(41)46(2)49-48;;;;/h1-34H;5-28H,1-4H3;4-27,30H,1-3H3;3-26H,1-2H3;;;;/q4*-2;;;;/p+4.

What are the key properties of 3-tert-butyl-1-[3-[9-[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]fluoren-9-yl]benzene-2-id-1-yl]-2,1,3-benzoxadiazol-2-ium;3-[3-[[9-[4-(2,6-diphenylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]sulfanyl]benzene-2-id-1-yl]-1-phenyl-2,1,3-benzoxadiazol-2-ium;1-methyl-3-[3-[9-[9-(4-methyl-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-methyl-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;platinum?

3-tert-butyl-1-[3-[9-[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]fluoren-9-yl]benzene-2-id-1-yl]-2,1,3-benzoxadiazol-2-ium;3-[3-[[9-[4-(2,6-diphenylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]sulfanyl]benzene-2-id-1-yl]-1-phenyl-2,1,3-benzoxadiazol-2-ium;1-methyl-3-[3-[9-[9-(4-methyl-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-methyl-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;platinum has a molecular weight of 3521.68 g/mol, XLogP of 45.63, 21 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 3-tert-butyl-1-[3-[9-[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]fluoren-9-yl]benzene-2-id-1-yl]-2,1,3-benzoxadiazol-2-ium;3-[3-[[9-[4-(2,6-diphenylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]sulfanyl]benzene-2-id-1-yl]-1-phenyl-2,1,3-benzoxadiazol-2-ium;1-methyl-3-[3-[9-[9-(4-methyl-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-methyl-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;platinum is sourced from PubChem (CID 157383439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).