2-[2,4-dimethyl-3-(4-phenylphenyl)benzene-6-id-1-yl]-1,3-oxazole;3,5-dimethyl-1-phenyl-4-(5-phenylbenzo[b][1]benzoborol-3-yl)pyrazole;3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5-phenylbenzo[b]phosphindole 5-oxide;bis(iridium(3+));2-[3-(4-phenylphenyl)benzene-6-id-1-yl]-1,3-thiazole;bis(1-phenyl-4-(4-phenylphenyl)pyrazole)

C144H106BIr2N10O2PS — CID 158064999

About 2-[2,4-dimethyl-3-(4-phenylphenyl)benzene-6-id-1-yl]-1,3-oxazole;3,5-dimethyl-1-phenyl-4-(5-phenylbenzo[b][1]benzoborol-3-yl)pyrazole;3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5-phenylbenzo[b]phosphindole 5-oxide;bis(iridium(3+));2-[3-(4-phenylphenyl)benzene-6-id-1-yl]-1,3-thiazole;bis(1-phenyl-4-(4-phenylphenyl)pyrazole)

2-[2,4-dimethyl-3-(4-phenylphenyl)benzene-6-id-1-yl]-1,3-oxazole;3,5-dimethyl-1-phenyl-4-(5-phenylbenzo[b][1]benzoborol-3-yl)pyrazole;3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5-phenylbenzo[b]phosphindole 5-oxide;bis(iridium(3+));2-[3-(4-phenylphenyl)benzene-6-id-1-yl]-1,3-thiazole;bis(1-phenyl-4-(4-phenylphenyl)pyrazole) (PubChem CID 158064999) has the molecular formula C144H106BIr2N10O2PS and a molecular weight of 2466.79 g/mol. Its IUPAC name is 2-[2,4-dimethyl-3-(4-phenylphenyl)benzene-6-id-1-yl]-1,3-oxazole;3,5-dimethyl-1-phenyl-4-(5-phenylbenzo[b][1]benzoborol-3-yl)pyrazole;3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5-phenylbenzo[b]phosphindole 5-oxide;bis(iridium(3+));2-[3-(4-phenylphenyl)benzene-6-id-1-yl]-1,3-thiazole;bis(1-phenyl-4-(4-phenylphenyl)pyrazole).

Molecular Properties

• Compound Name: 2-[2,4-dimethyl-3-(4-phenylphenyl)benzene-6-id-1-yl]-1,3-oxazole;3,5-dimethyl-1-phenyl-4-(5-phenylbenzo[b][1]benzoborol-3-yl)pyrazole;3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5-phenylbenzo[b]phosphindole 5-oxide;bis(iridium(3+));2-[3-(4-phenylphenyl)benzene-6-id-1-yl]-1,3-thiazole;bis(1-phenyl-4-(4-phenylphenyl)pyrazole)
• PubChem CID: 158064999
• Molecular Formula: C144H106BIr2N10O2PS
• Molecular Weight: 2466.79 g/mol
• Exact Mass: 2466.73
• IUPAC Name: 2-[2,4-dimethyl-3-(4-phenylphenyl)benzene-6-id-1-yl]-1,3-oxazole;3,5-dimethyl-1-phenyl-4-(5-phenylbenzo[b][1]benzoborol-3-yl)pyrazole;3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5-phenylbenzo[b]phosphindole 5-oxide;bis(iridium(3+));2-[3-(4-phenylphenyl)benzene-6-id-1-yl]-1,3-thiazole;bis(1-phenyl-4-(4-phenylphenyl)pyrazole)
• SMILES: Cc1c[c-]c(-c2ncco2)c(C)c1-c1ccc(-c2ccccc2)cc1.Cc1nn(-c2[c-]cccc2)c(C)c1-c1ccc2c(c1)B(c1ccccc1)c1ccccc1-2.Cc1nn(-c2[c-]cccc2)c(C)c1-c1ccc2c(c1)P(=O)(c1ccccc1)c1ccccc1-2.[Ir+3].[Ir+3].[c-]1ccc(-c2ccc(-c3ccccc3)cc2)cc1-c1nccs1.[c-]1ccccc1-n1cc(-c2ccc(-c3ccccc3)cc2)cn1.[c-]1ccccc1-n1cc(-c2ccc(-c3ccccc3)cc2)cn1
• InChI: InChI=1S/C29H22BN2.C29H22N2OP.C23H18NO.2C21H15N2.C21H14NS.2Ir/c1-20-29(21(2)32(31-20)24-13-7-4-8-14-24)22-17-18-26-25-15-9-10-16-27(25)30(28(26)19-22)23-11-5-3-6-12-23;1-20-29(21(2)31(30-20)23-11-5-3-6-12-23)22-17-18-26-25-15-9-10-16-27(25)33(32,28(26)19-22)24-13-7-4-8-14-24;1-16-8-13-21(23-24-14-15-25-23)17(2)22(16)20-11-9-19(10-12-20)18-6-4-3-5-7-18;2*1-3-7-17(8-4-1)18-11-13-19(14-12-18)20-15-22-23(16-20)21-9-5-2-6-10-21;1-2-5-16(6-3-1)17-9-11-18(12-10-17)19-7-4-8-20(15-19)21-22-13-14-23-21;;/h3-13,15-19H,1-2H3;3-11,13-19H,1-2H3;3-12,14-15H,1-2H3;2*1-9,11-16H;1-7,9-15H;;/q6*-1;2*+3
• InChIKey: WHDMUTXPGLAOHV-UHFFFAOYSA-N
• XLogP: 32.07
• TPSA: 127.27 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 18
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2466.79
LogP ≤ 5	32.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

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 2-[2,4-dimethyl-3-(4-phenylphenyl)benzene-6-id-1-yl]-1,3-oxazole;3,5-dimethyl-1-phenyl-4-(5-phenylbenzo[b][1]benzoborol-3-yl)pyrazole;3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5-phenylbenzo[b]phosphindole 5-oxide;bis(iridium(3+));2-[3-(4-phenylphenyl)benzene-6-id-1-yl]-1,3-thiazole;bis(1-phenyl-4-(4-phenylphenyl)pyrazole)?

The IUPAC name of 2-[2,4-dimethyl-3-(4-phenylphenyl)benzene-6-id-1-yl]-1,3-oxazole;3,5-dimethyl-1-phenyl-4-(5-phenylbenzo[b][1]benzoborol-3-yl)pyrazole;3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5-phenylbenzo[b]phosphindole 5-oxide;bis(iridium(3+));2-[3-(4-phenylphenyl)benzene-6-id-1-yl]-1,3-thiazole;bis(1-phenyl-4-(4-phenylphenyl)pyrazole) (CID 158064999) is 2-[2,4-dimethyl-3-(4-phenylphenyl)benzene-6-id-1-yl]-1,3-oxazole;3,5-dimethyl-1-phenyl-4-(5-phenylbenzo[b][1]benzoborol-3-yl)pyrazole;3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5-phenylbenzo[b]phosphindole 5-oxide;bis(iridium(3+));2-[3-(4-phenylphenyl)benzene-6-id-1-yl]-1,3-thiazole;bis(1-phenyl-4-(4-phenylphenyl)pyrazole).

What is the SMILES notation for 2-[2,4-dimethyl-3-(4-phenylphenyl)benzene-6-id-1-yl]-1,3-oxazole;3,5-dimethyl-1-phenyl-4-(5-phenylbenzo[b][1]benzoborol-3-yl)pyrazole;3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5-phenylbenzo[b]phosphindole 5-oxide;bis(iridium(3+));2-[3-(4-phenylphenyl)benzene-6-id-1-yl]-1,3-thiazole;bis(1-phenyl-4-(4-phenylphenyl)pyrazole)?

The canonical SMILES for 2-[2,4-dimethyl-3-(4-phenylphenyl)benzene-6-id-1-yl]-1,3-oxazole;3,5-dimethyl-1-phenyl-4-(5-phenylbenzo[b][1]benzoborol-3-yl)pyrazole;3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5-phenylbenzo[b]phosphindole 5-oxide;bis(iridium(3+));2-[3-(4-phenylphenyl)benzene-6-id-1-yl]-1,3-thiazole;bis(1-phenyl-4-(4-phenylphenyl)pyrazole) is Cc1c[c-]c(-c2ncco2)c(C)c1-c1ccc(-c2ccccc2)cc1.Cc1nn(-c2[c-]cccc2)c(C)c1-c1ccc2c(c1)B(c1ccccc1)c1ccccc1-2.Cc1nn(-c2[c-]cccc2)c(C)c1-c1ccc2c(c1)P(=O)(c1ccccc1)c1ccccc1-2.[Ir+3].[Ir+3].[c-]1ccc(-c2ccc(-c3ccccc3)cc2)cc1-c1nccs1.[c-]1ccccc1-n1cc(-c2ccc(-c3ccccc3)cc2)cn1.[c-]1ccccc1-n1cc(-c2ccc(-c3ccccc3)cc2)cn1.

What is the InChIKey of 2-[2,4-dimethyl-3-(4-phenylphenyl)benzene-6-id-1-yl]-1,3-oxazole;3,5-dimethyl-1-phenyl-4-(5-phenylbenzo[b][1]benzoborol-3-yl)pyrazole;3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5-phenylbenzo[b]phosphindole 5-oxide;bis(iridium(3+));2-[3-(4-phenylphenyl)benzene-6-id-1-yl]-1,3-thiazole;bis(1-phenyl-4-(4-phenylphenyl)pyrazole)?

The InChIKey is WHDMUTXPGLAOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22BN2.C29H22N2OP.C23H18NO.2C21H15N2.C21H14NS.2Ir/c1-20-29(21(2)32(31-20)24-13-7-4-8-14-24)22-17-18-26-25-15-9-10-16-27(25)30(28(26)19-22)23-11-5-3-6-12-23;1-20-29(21(2)31(30-20)23-11-5-3-6-12-23)22-17-18-26-25-15-9-10-16-27(25)33(32,28(26)19-22)24-13-7-4-8-14-24;1-16-8-13-21(23-24-14-15-25-23)17(2)22(16)20-11-9-19(10-12-20)18-6-4-3-5-7-18;2*1-3-7-17(8-4-1)18-11-13-19(14-12-18)20-15-22-23(16-20)21-9-5-2-6-10-21;1-2-5-16(6-3-1)17-9-11-18(12-10-17)19-7-4-8-20(15-19)21-22-13-14-23-21;;/h3-13,15-19H,1-2H3;3-11,13-19H,1-2H3;3-12,14-15H,1-2H3;2*1-9,11-16H;1-7,9-15H;;/q6*-1;2*+3.

What are the key properties of 2-[2,4-dimethyl-3-(4-phenylphenyl)benzene-6-id-1-yl]-1,3-oxazole;3,5-dimethyl-1-phenyl-4-(5-phenylbenzo[b][1]benzoborol-3-yl)pyrazole;3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5-phenylbenzo[b]phosphindole 5-oxide;bis(iridium(3+));2-[3-(4-phenylphenyl)benzene-6-id-1-yl]-1,3-thiazole;bis(1-phenyl-4-(4-phenylphenyl)pyrazole)?

2-[2,4-dimethyl-3-(4-phenylphenyl)benzene-6-id-1-yl]-1,3-oxazole;3,5-dimethyl-1-phenyl-4-(5-phenylbenzo[b][1]benzoborol-3-yl)pyrazole;3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5-phenylbenzo[b]phosphindole 5-oxide;bis(iridium(3+));2-[3-(4-phenylphenyl)benzene-6-id-1-yl]-1,3-thiazole;bis(1-phenyl-4-(4-phenylphenyl)pyrazole) has a molecular weight of 2466.79 g/mol, XLogP of 32.07, 18 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2,4-dimethyl-3-(4-phenylphenyl)benzene-6-id-1-yl]-1,3-oxazole;3,5-dimethyl-1-phenyl-4-(5-phenylbenzo[b][1]benzoborol-3-yl)pyrazole;3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5-phenylbenzo[b]phosphindole 5-oxide;bis(iridium(3+));2-[3-(4-phenylphenyl)benzene-6-id-1-yl]-1,3-thiazole;bis(1-phenyl-4-(4-phenylphenyl)pyrazole) is sourced from PubChem (CID 158064999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).