9-tert-butyl-2-[4-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-5-id-1-yl]carbazole;N-[4-(5,5-dioxodibenzothiophen-3-yl)benzene-6-id-1-yl]-N'-ethenyl-N'-methylmethanediamine;bis(iridium);iridium(3+);[(Z)-3-(N-methylanilino)prop-2-enylidene]azanide;3-[4-(3-methyl-2H-imidazol-2-id-1-yl)benzene-5-id-1-yl]-5-phenylbenzo[b]phosphindole 5-oxide;1-methyl-2-phenyl-2H-imidazol-3-ide;2-phenyl-1,3-oxazole

C109H92Ir3N12O4PS-8 — CID 158199510

About 9-tert-butyl-2-[4-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-5-id-1-yl]carbazole;N-[4-(5,5-dioxodibenzothiophen-3-yl)benzene-6-id-1-yl]-N'-ethenyl-N'-methylmethanediamine;bis(iridium);iridium(3+);[(Z)-3-(N-methylanilino)prop-2-enylidene]azanide;3-[4-(3-methyl-2H-imidazol-2-id-1-yl)benzene-5-id-1-yl]-5-phenylbenzo[b]phosphindole 5-oxide;1-methyl-2-phenyl-2H-imidazol-3-ide;2-phenyl-1,3-oxazole

9-tert-butyl-2-[4-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-5-id-1-yl]carbazole;N-[4-(5,5-dioxodibenzothiophen-3-yl)benzene-6-id-1-yl]-N'-ethenyl-N'-methylmethanediamine;bis(iridium);iridium(3+);[(Z)-3-(N-methylanilino)prop-2-enylidene]azanide;3-[4-(3-methyl-2H-imidazol-2-id-1-yl)benzene-5-id-1-yl]-5-phenylbenzo[b]phosphindole 5-oxide;1-methyl-2-phenyl-2H-imidazol-3-ide;2-phenyl-1,3-oxazole (PubChem CID 158199510) has the molecular formula C109H92Ir3N12O4PS-8 and a molecular weight of 2273.71 g/mol. Its IUPAC name is 9-tert-butyl-2-[4-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-5-id-1-yl]carbazole;N-[4-(5,5-dioxodibenzothiophen-3-yl)benzene-6-id-1-yl]-N'-ethenyl-N'-methylmethanediamine;bis(iridium);iridium(3+);[(Z)-3-(N-methylanilino)prop-2-enylidene]azanide;3-[4-(3-methyl-2H-imidazol-2-id-1-yl)benzene-5-id-1-yl]-5-phenylbenzo[b]phosphindole 5-oxide;1-methyl-2-phenyl-2H-imidazol-3-ide;2-phenyl-1,3-oxazole.

Molecular Properties

• Compound Name: 9-tert-butyl-2-[4-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-5-id-1-yl]carbazole;N-[4-(5,5-dioxodibenzothiophen-3-yl)benzene-6-id-1-yl]-N'-ethenyl-N'-methylmethanediamine;bis(iridium);iridium(3+);[(Z)-3-(N-methylanilino)prop-2-enylidene]azanide;3-[4-(3-methyl-2H-imidazol-2-id-1-yl)benzene-5-id-1-yl]-5-phenylbenzo[b]phosphindole 5-oxide;1-methyl-2-phenyl-2H-imidazol-3-ide;2-phenyl-1,3-oxazole
• PubChem CID: 158199510
• Molecular Formula: C109H92Ir3N12O4PS-8
• Molecular Weight: 2273.71 g/mol
• Exact Mass: 2274.58
• IUPAC Name: 9-tert-butyl-2-[4-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-5-id-1-yl]carbazole;N-[4-(5,5-dioxodibenzothiophen-3-yl)benzene-6-id-1-yl]-N'-ethenyl-N'-methylmethanediamine;bis(iridium);iridium(3+);[(Z)-3-(N-methylanilino)prop-2-enylidene]azanide;3-[4-(3-methyl-2H-imidazol-2-id-1-yl)benzene-5-id-1-yl]-5-phenylbenzo[b]phosphindole 5-oxide;1-methyl-2-phenyl-2H-imidazol-3-ide;2-phenyl-1,3-oxazole
• SMILES: C=CN(C)[CH-]Nc1[c-]cc(-c2ccc3c(c2)S(=O)(=O)c2ccccc2-3)cc1.CN(/C=C\C=[N-])c1[c-]cccc1.CN1C=CN(c2[c-]cc(-c3ccc4c(c3)P(=O)(c3ccccc3)c3ccccc3-4)cc2)[CH-]1.CN1C=C[N-]C1c1[c-]cccc1.CN1[CH-]N(c2[c-]cc(-c3ccc4c5ccccc5n(C(C)(C)C)c4c3)cc2)c2ccccc21.[Ir+3].[Ir].[Ir].[c-]1ccccc1-c1ncco1
• InChI: InChI=1S/C30H27N3.C28H21N2OP.C22H18N2O2S.2C10H10N2.C9H6NO.3Ir/c1-30(2,3)33-26-10-6-5-9-24(26)25-18-15-22(19-29(25)33)21-13-16-23(17-14-21)32-20-31(4)27-11-7-8-12-28(27)32;1-29-17-18-30(20-29)23-14-11-21(12-15-23)22-13-16-26-25-9-5-6-10-27(25)32(31,28(26)19-22)24-7-3-2-4-8-24;1-3-24(2)15-23-18-11-8-16(9-12-18)17-10-13-20-19-6-4-5-7-21(19)27(25,26)22(20)14-17;1-12-8-7-11-10(12)9-5-3-2-4-6-9;1-12(9-5-8-11)10-6-3-2-4-7-10;1-2-4-8(5-3-1)9-10-6-7-11-9;;;/h5-16,18-20H,1-4H3;2-14,16-20H,1H3;3-11,13-15,23H,1H2,2H3;2-5,7-8,10H,1H3;2-6,8-9H,1H3;1-4,6-7H;;;/q5*-2;-1;;;+3/b;;;;9-5-
• InChIKey: DPZYYNLFGCXDJS-YLIXMGTHSA-N
• XLogP: 23.90
• TPSA: 153.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 14
• Rotatable Bonds: 15
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2273.71
LogP ≤ 5	23.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-tert-butyl-2-[4-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-5-id-1-yl]carbazole;N-[4-(5,5-dioxodibenzothiophen-3-yl)benzene-6-id-1-yl]-N'-ethenyl-N'-methylmethanediamine;bis(iridium);iridium(3+);[(Z)-3-(N-methylanilino)prop-2-enylidene]azanide;3-[4-(3-methyl-2H-imidazol-2-id-1-yl)benzene-5-id-1-yl]-5-phenylbenzo[b]phosphindole 5-oxide;1-methyl-2-phenyl-2H-imidazol-3-ide;2-phenyl-1,3-oxazole?

The IUPAC name of 9-tert-butyl-2-[4-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-5-id-1-yl]carbazole;N-[4-(5,5-dioxodibenzothiophen-3-yl)benzene-6-id-1-yl]-N'-ethenyl-N'-methylmethanediamine;bis(iridium);iridium(3+);[(Z)-3-(N-methylanilino)prop-2-enylidene]azanide;3-[4-(3-methyl-2H-imidazol-2-id-1-yl)benzene-5-id-1-yl]-5-phenylbenzo[b]phosphindole 5-oxide;1-methyl-2-phenyl-2H-imidazol-3-ide;2-phenyl-1,3-oxazole (CID 158199510) is 9-tert-butyl-2-[4-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-5-id-1-yl]carbazole;N-[4-(5,5-dioxodibenzothiophen-3-yl)benzene-6-id-1-yl]-N'-ethenyl-N'-methylmethanediamine;bis(iridium);iridium(3+);[(Z)-3-(N-methylanilino)prop-2-enylidene]azanide;3-[4-(3-methyl-2H-imidazol-2-id-1-yl)benzene-5-id-1-yl]-5-phenylbenzo[b]phosphindole 5-oxide;1-methyl-2-phenyl-2H-imidazol-3-ide;2-phenyl-1,3-oxazole.

What is the SMILES notation for 9-tert-butyl-2-[4-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-5-id-1-yl]carbazole;N-[4-(5,5-dioxodibenzothiophen-3-yl)benzene-6-id-1-yl]-N'-ethenyl-N'-methylmethanediamine;bis(iridium);iridium(3+);[(Z)-3-(N-methylanilino)prop-2-enylidene]azanide;3-[4-(3-methyl-2H-imidazol-2-id-1-yl)benzene-5-id-1-yl]-5-phenylbenzo[b]phosphindole 5-oxide;1-methyl-2-phenyl-2H-imidazol-3-ide;2-phenyl-1,3-oxazole?

The canonical SMILES for 9-tert-butyl-2-[4-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-5-id-1-yl]carbazole;N-[4-(5,5-dioxodibenzothiophen-3-yl)benzene-6-id-1-yl]-N'-ethenyl-N'-methylmethanediamine;bis(iridium);iridium(3+);[(Z)-3-(N-methylanilino)prop-2-enylidene]azanide;3-[4-(3-methyl-2H-imidazol-2-id-1-yl)benzene-5-id-1-yl]-5-phenylbenzo[b]phosphindole 5-oxide;1-methyl-2-phenyl-2H-imidazol-3-ide;2-phenyl-1,3-oxazole is C=CN(C)[CH-]Nc1[c-]cc(-c2ccc3c(c2)S(=O)(=O)c2ccccc2-3)cc1.CN(/C=C\C=[N-])c1[c-]cccc1.CN1C=CN(c2[c-]cc(-c3ccc4c(c3)P(=O)(c3ccccc3)c3ccccc3-4)cc2)[CH-]1.CN1C=C[N-]C1c1[c-]cccc1.CN1[CH-]N(c2[c-]cc(-c3ccc4c5ccccc5n(C(C)(C)C)c4c3)cc2)c2ccccc21.[Ir+3].[Ir].[Ir].[c-]1ccccc1-c1ncco1.

What is the InChIKey of 9-tert-butyl-2-[4-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-5-id-1-yl]carbazole;N-[4-(5,5-dioxodibenzothiophen-3-yl)benzene-6-id-1-yl]-N'-ethenyl-N'-methylmethanediamine;bis(iridium);iridium(3+);[(Z)-3-(N-methylanilino)prop-2-enylidene]azanide;3-[4-(3-methyl-2H-imidazol-2-id-1-yl)benzene-5-id-1-yl]-5-phenylbenzo[b]phosphindole 5-oxide;1-methyl-2-phenyl-2H-imidazol-3-ide;2-phenyl-1,3-oxazole?

The InChIKey is DPZYYNLFGCXDJS-YLIXMGTHSA-N. The full InChI is InChI=1S/C30H27N3.C28H21N2OP.C22H18N2O2S.2C10H10N2.C9H6NO.3Ir/c1-30(2,3)33-26-10-6-5-9-24(26)25-18-15-22(19-29(25)33)21-13-16-23(17-14-21)32-20-31(4)27-11-7-8-12-28(27)32;1-29-17-18-30(20-29)23-14-11-21(12-15-23)22-13-16-26-25-9-5-6-10-27(25)32(31,28(26)19-22)24-7-3-2-4-8-24;1-3-24(2)15-23-18-11-8-16(9-12-18)17-10-13-20-19-6-4-5-7-21(19)27(25,26)22(20)14-17;1-12-8-7-11-10(12)9-5-3-2-4-6-9;1-12(9-5-8-11)10-6-3-2-4-7-10;1-2-4-8(5-3-1)9-10-6-7-11-9;;;/h5-16,18-20H,1-4H3;2-14,16-20H,1H3;3-11,13-15,23H,1H2,2H3;2-5,7-8,10H,1H3;2-6,8-9H,1H3;1-4,6-7H;;;/q5*-2;-1;;;+3/b;;;;9-5-;;;;.

What are the key properties of 9-tert-butyl-2-[4-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-5-id-1-yl]carbazole;N-[4-(5,5-dioxodibenzothiophen-3-yl)benzene-6-id-1-yl]-N'-ethenyl-N'-methylmethanediamine;bis(iridium);iridium(3+);[(Z)-3-(N-methylanilino)prop-2-enylidene]azanide;3-[4-(3-methyl-2H-imidazol-2-id-1-yl)benzene-5-id-1-yl]-5-phenylbenzo[b]phosphindole 5-oxide;1-methyl-2-phenyl-2H-imidazol-3-ide;2-phenyl-1,3-oxazole?

9-tert-butyl-2-[4-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-5-id-1-yl]carbazole;N-[4-(5,5-dioxodibenzothiophen-3-yl)benzene-6-id-1-yl]-N'-ethenyl-N'-methylmethanediamine;bis(iridium);iridium(3+);[(Z)-3-(N-methylanilino)prop-2-enylidene]azanide;3-[4-(3-methyl-2H-imidazol-2-id-1-yl)benzene-5-id-1-yl]-5-phenylbenzo[b]phosphindole 5-oxide;1-methyl-2-phenyl-2H-imidazol-3-ide;2-phenyl-1,3-oxazole has a molecular weight of 2273.71 g/mol, XLogP of 23.90, 15 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 9-tert-butyl-2-[4-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-5-id-1-yl]carbazole;N-[4-(5,5-dioxodibenzothiophen-3-yl)benzene-6-id-1-yl]-N'-ethenyl-N'-methylmethanediamine;bis(iridium);iridium(3+);[(Z)-3-(N-methylanilino)prop-2-enylidene]azanide;3-[4-(3-methyl-2H-imidazol-2-id-1-yl)benzene-5-id-1-yl]-5-phenylbenzo[b]phosphindole 5-oxide;1-methyl-2-phenyl-2H-imidazol-3-ide;2-phenyl-1,3-oxazole is sourced from PubChem (CID 158199510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).