4-dibenzofuran-3-yl-1-phenylpyrazole;4-dibenzoselenophen-3-yl-1-phenylpyrazole;4-dibenzothiophen-3-yl-1-phenylpyrazole;4-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-1-phenyl-1-aza-2-azanida-3λ5-phosphacyclopent-4-ene 3-oxide;heptakis(iridium);3-(1-phenylpyrazol-4-yl)dibenzoselenophene 5-oxide;3-(1-phenylpyrazol-4-yl)dibenzothiophene 5,5-dioxide;3-(1-phenylpyrazol-4-yl)dibenzothiophene 5-oxide

C154H101Ir7N14O6PS3Se2-8 — CID 158450258

About 4-dibenzofuran-3-yl-1-phenylpyrazole;4-dibenzoselenophen-3-yl-1-phenylpyrazole;4-dibenzothiophen-3-yl-1-phenylpyrazole;4-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-1-phenyl-1-aza-2-azanida-3λ5-phosphacyclopent-4-ene 3-oxide;heptakis(iridium);3-(1-phenylpyrazol-4-yl)dibenzoselenophene 5-oxide;3-(1-phenylpyrazol-4-yl)dibenzothiophene 5,5-dioxide;3-(1-phenylpyrazol-4-yl)dibenzothiophene 5-oxide

4-dibenzofuran-3-yl-1-phenylpyrazole;4-dibenzoselenophen-3-yl-1-phenylpyrazole;4-dibenzothiophen-3-yl-1-phenylpyrazole;4-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-1-phenyl-1-aza-2-azanida-3λ5-phosphacyclopent-4-ene 3-oxide;heptakis(iridium);3-(1-phenylpyrazol-4-yl)dibenzoselenophene 5-oxide;3-(1-phenylpyrazol-4-yl)dibenzothiophene 5,5-dioxide;3-(1-phenylpyrazol-4-yl)dibenzothiophene 5-oxide (PubChem CID 158450258) has the molecular formula C154H101Ir7N14O6PS3Se2-8 and a molecular weight of 3874.21 g/mol. Its IUPAC name is 4-dibenzofuran-3-yl-1-phenylpyrazole;4-dibenzoselenophen-3-yl-1-phenylpyrazole;4-dibenzothiophen-3-yl-1-phenylpyrazole;4-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-1-phenyl-1-aza-2-azanida-3λ5-phosphacyclopent-4-ene 3-oxide;heptakis(iridium);3-(1-phenylpyrazol-4-yl)dibenzoselenophene 5-oxide;3-(1-phenylpyrazol-4-yl)dibenzothiophene 5,5-dioxide;3-(1-phenylpyrazol-4-yl)dibenzothiophene 5-oxide.

Molecular Properties

• Compound Name: 4-dibenzofuran-3-yl-1-phenylpyrazole;4-dibenzoselenophen-3-yl-1-phenylpyrazole;4-dibenzothiophen-3-yl-1-phenylpyrazole;4-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-1-phenyl-1-aza-2-azanida-3λ5-phosphacyclopent-4-ene 3-oxide;heptakis(iridium);3-(1-phenylpyrazol-4-yl)dibenzoselenophene 5-oxide;3-(1-phenylpyrazol-4-yl)dibenzothiophene 5,5-dioxide;3-(1-phenylpyrazol-4-yl)dibenzothiophene 5-oxide
• PubChem CID: 158450258
• Molecular Formula: C154H101Ir7N14O6PS3Se2-8
• Molecular Weight: 3874.21 g/mol
• Exact Mass: 3879.27
• IUPAC Name: 4-dibenzofuran-3-yl-1-phenylpyrazole;4-dibenzoselenophen-3-yl-1-phenylpyrazole;4-dibenzothiophen-3-yl-1-phenylpyrazole;4-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-1-phenyl-1-aza-2-azanida-3λ5-phosphacyclopent-4-ene 3-oxide;heptakis(iridium);3-(1-phenylpyrazol-4-yl)dibenzoselenophene 5-oxide;3-(1-phenylpyrazol-4-yl)dibenzothiophene 5,5-dioxide;3-(1-phenylpyrazol-4-yl)dibenzothiophene 5-oxide
• SMILES: Cc1cc(-c2ccccc2)cc(C)c1C1=CN(c2[c-]cccc2)[N-]P1(=O)c1ccccc1.O=S1(=O)c2ccccc2-c2ccc(-c3cnn(-c4[c-]cccc4)c3)cc21.O=S1c2ccccc2-c2ccc(-c3cnn(-c4[c-]cccc4)c3)cc21.O=[Se]1c2ccccc2-c2ccc(-c3cnn(-c4[c-]cccc4)c3)cc21.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-n1cc(-c2ccc3c(c2)[se]c2ccccc23)cn1.[c-]1ccccc1-n1cc(-c2ccc3c(c2)oc2ccccc23)cn1.[c-]1ccccc1-n1cc(-c2ccc3c(c2)sc2ccccc23)cn1
• InChI: InChI=1S/C28H23N2OP.C21H13N2O2S.C21H13N2OS.C21H13N2OSe.C21H13N2O.C21H13N2S.C21H13N2Se.7Ir/c1-21-18-24(23-12-6-3-7-13-23)19-22(2)28(21)27-20-30(25-14-8-4-9-15-25)29-32(27,31)26-16-10-5-11-17-26;24-26(25)20-9-5-4-8-18(20)19-11-10-15(12-21(19)26)16-13-22-23(14-16)17-6-2-1-3-7-17;2*24-25-20-9-5-4-8-18(20)19-11-10-15(12-21(19)25)16-13-22-23(14-16)17-6-2-1-3-7-17;3*1-2-6-17(7-3-1)23-14-16(13-22-23)15-10-11-19-18-8-4-5-9-20(18)24-21(19)12-15;;;;;;;/h3-14,16-20H,1-2H3;1-6,8-14H;2*1-6,8-14H;3*1-6,8-14H;;;;;;;/q-2;6*-1
• InChIKey: BUUOKUPTXVCUBC-UHFFFAOYSA-N
• XLogP: 34.61
• TPSA: 222.75 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 16
• Heavy Atoms: 187
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3874.21
LogP ≤ 5	34.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-dibenzofuran-3-yl-1-phenylpyrazole;4-dibenzoselenophen-3-yl-1-phenylpyrazole;4-dibenzothiophen-3-yl-1-phenylpyrazole;4-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-1-phenyl-1-aza-2-azanida-3λ5-phosphacyclopent-4-ene 3-oxide;heptakis(iridium);3-(1-phenylpyrazol-4-yl)dibenzoselenophene 5-oxide;3-(1-phenylpyrazol-4-yl)dibenzothiophene 5,5-dioxide;3-(1-phenylpyrazol-4-yl)dibenzothiophene 5-oxide?

The IUPAC name of 4-dibenzofuran-3-yl-1-phenylpyrazole;4-dibenzoselenophen-3-yl-1-phenylpyrazole;4-dibenzothiophen-3-yl-1-phenylpyrazole;4-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-1-phenyl-1-aza-2-azanida-3λ5-phosphacyclopent-4-ene 3-oxide;heptakis(iridium);3-(1-phenylpyrazol-4-yl)dibenzoselenophene 5-oxide;3-(1-phenylpyrazol-4-yl)dibenzothiophene 5,5-dioxide;3-(1-phenylpyrazol-4-yl)dibenzothiophene 5-oxide (CID 158450258) is 4-dibenzofuran-3-yl-1-phenylpyrazole;4-dibenzoselenophen-3-yl-1-phenylpyrazole;4-dibenzothiophen-3-yl-1-phenylpyrazole;4-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-1-phenyl-1-aza-2-azanida-3λ5-phosphacyclopent-4-ene 3-oxide;heptakis(iridium);3-(1-phenylpyrazol-4-yl)dibenzoselenophene 5-oxide;3-(1-phenylpyrazol-4-yl)dibenzothiophene 5,5-dioxide;3-(1-phenylpyrazol-4-yl)dibenzothiophene 5-oxide.

What is the SMILES notation for 4-dibenzofuran-3-yl-1-phenylpyrazole;4-dibenzoselenophen-3-yl-1-phenylpyrazole;4-dibenzothiophen-3-yl-1-phenylpyrazole;4-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-1-phenyl-1-aza-2-azanida-3λ5-phosphacyclopent-4-ene 3-oxide;heptakis(iridium);3-(1-phenylpyrazol-4-yl)dibenzoselenophene 5-oxide;3-(1-phenylpyrazol-4-yl)dibenzothiophene 5,5-dioxide;3-(1-phenylpyrazol-4-yl)dibenzothiophene 5-oxide?

The canonical SMILES for 4-dibenzofuran-3-yl-1-phenylpyrazole;4-dibenzoselenophen-3-yl-1-phenylpyrazole;4-dibenzothiophen-3-yl-1-phenylpyrazole;4-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-1-phenyl-1-aza-2-azanida-3λ5-phosphacyclopent-4-ene 3-oxide;heptakis(iridium);3-(1-phenylpyrazol-4-yl)dibenzoselenophene 5-oxide;3-(1-phenylpyrazol-4-yl)dibenzothiophene 5,5-dioxide;3-(1-phenylpyrazol-4-yl)dibenzothiophene 5-oxide is Cc1cc(-c2ccccc2)cc(C)c1C1=CN(c2[c-]cccc2)[N-]P1(=O)c1ccccc1.O=S1(=O)c2ccccc2-c2ccc(-c3cnn(-c4[c-]cccc4)c3)cc21.O=S1c2ccccc2-c2ccc(-c3cnn(-c4[c-]cccc4)c3)cc21.O=[Se]1c2ccccc2-c2ccc(-c3cnn(-c4[c-]cccc4)c3)cc21.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-n1cc(-c2ccc3c(c2)[se]c2ccccc23)cn1.[c-]1ccccc1-n1cc(-c2ccc3c(c2)oc2ccccc23)cn1.[c-]1ccccc1-n1cc(-c2ccc3c(c2)sc2ccccc23)cn1.

What is the InChIKey of 4-dibenzofuran-3-yl-1-phenylpyrazole;4-dibenzoselenophen-3-yl-1-phenylpyrazole;4-dibenzothiophen-3-yl-1-phenylpyrazole;4-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-1-phenyl-1-aza-2-azanida-3λ5-phosphacyclopent-4-ene 3-oxide;heptakis(iridium);3-(1-phenylpyrazol-4-yl)dibenzoselenophene 5-oxide;3-(1-phenylpyrazol-4-yl)dibenzothiophene 5,5-dioxide;3-(1-phenylpyrazol-4-yl)dibenzothiophene 5-oxide?

The InChIKey is BUUOKUPTXVCUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N2OP.C21H13N2O2S.C21H13N2OS.C21H13N2OSe.C21H13N2O.C21H13N2S.C21H13N2Se.7Ir/c1-21-18-24(23-12-6-3-7-13-23)19-22(2)28(21)27-20-30(25-14-8-4-9-15-25)29-32(27,31)26-16-10-5-11-17-26;24-26(25)20-9-5-4-8-18(20)19-11-10-15(12-21(19)26)16-13-22-23(14-16)17-6-2-1-3-7-17;2*24-25-20-9-5-4-8-18(20)19-11-10-15(12-21(19)25)16-13-22-23(14-16)17-6-2-1-3-7-17;3*1-2-6-17(7-3-1)23-14-16(13-22-23)15-10-11-19-18-8-4-5-9-20(18)24-21(19)12-15;;;;;;;/h3-14,16-20H,1-2H3;1-6,8-14H;2*1-6,8-14H;3*1-6,8-14H;;;;;;;/q-2;6*-1;;;;;;;.

What are the key properties of 4-dibenzofuran-3-yl-1-phenylpyrazole;4-dibenzoselenophen-3-yl-1-phenylpyrazole;4-dibenzothiophen-3-yl-1-phenylpyrazole;4-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-1-phenyl-1-aza-2-azanida-3λ5-phosphacyclopent-4-ene 3-oxide;heptakis(iridium);3-(1-phenylpyrazol-4-yl)dibenzoselenophene 5-oxide;3-(1-phenylpyrazol-4-yl)dibenzothiophene 5,5-dioxide;3-(1-phenylpyrazol-4-yl)dibenzothiophene 5-oxide?

4-dibenzofuran-3-yl-1-phenylpyrazole;4-dibenzoselenophen-3-yl-1-phenylpyrazole;4-dibenzothiophen-3-yl-1-phenylpyrazole;4-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-1-phenyl-1-aza-2-azanida-3λ5-phosphacyclopent-4-ene 3-oxide;heptakis(iridium);3-(1-phenylpyrazol-4-yl)dibenzoselenophene 5-oxide;3-(1-phenylpyrazol-4-yl)dibenzothiophene 5,5-dioxide;3-(1-phenylpyrazol-4-yl)dibenzothiophene 5-oxide has a molecular weight of 3874.21 g/mol, XLogP of 34.61, 16 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 4-dibenzofuran-3-yl-1-phenylpyrazole;4-dibenzoselenophen-3-yl-1-phenylpyrazole;4-dibenzothiophen-3-yl-1-phenylpyrazole;4-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-1-phenyl-1-aza-2-azanida-3λ5-phosphacyclopent-4-ene 3-oxide;heptakis(iridium);3-(1-phenylpyrazol-4-yl)dibenzoselenophene 5-oxide;3-(1-phenylpyrazol-4-yl)dibenzothiophene 5,5-dioxide;3-(1-phenylpyrazol-4-yl)dibenzothiophene 5-oxide is sourced from PubChem (CID 158450258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).