[(Z)-3-[(4-dibenzofuran-3-ylbenzene-6-id-1-yl)-methylamino]prop-2-enylidene]azanide;bis([(Z)-4-[[4-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]-methylamino]pent-3-en-2-ylidene]azanide);3,5-dimethyl-1-phenylpyrazole;tris(iridium(3+));1-phenylpyrazole;2-phenyl-1,3-thiazole

C103H92Ir3N11OS — CID 158808945

About [(Z)-3-[(4-dibenzofuran-3-ylbenzene-6-id-1-yl)-methylamino]prop-2-enylidene]azanide;bis([(Z)-4-[[4-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]-methylamino]pent-3-en-2-ylidene]azanide);3,5-dimethyl-1-phenylpyrazole;tris(iridium(3+));1-phenylpyrazole;2-phenyl-1,3-thiazole

[(Z)-3-[(4-dibenzofuran-3-ylbenzene-6-id-1-yl)-methylamino]prop-2-enylidene]azanide;bis([(Z)-4-[[4-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]-methylamino]pent-3-en-2-ylidene]azanide);3,5-dimethyl-1-phenylpyrazole;tris(iridium(3+));1-phenylpyrazole;2-phenyl-1,3-thiazole (PubChem CID 158808945) has the molecular formula C103H92Ir3N11OS and a molecular weight of 2108.66 g/mol. Its IUPAC name is [(Z)-3-[(4-dibenzofuran-3-ylbenzene-6-id-1-yl)-methylamino]prop-2-enylidene]azanide;bis([(Z)-4-[[4-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]-methylamino]pent-3-en-2-ylidene]azanide);3,5-dimethyl-1-phenylpyrazole;tris(iridium(3+));1-phenylpyrazole;2-phenyl-1,3-thiazole.

Molecular Properties

• Compound Name: [(Z)-3-[(4-dibenzofuran-3-ylbenzene-6-id-1-yl)-methylamino]prop-2-enylidene]azanide;bis([(Z)-4-[[4-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]-methylamino]pent-3-en-2-ylidene]azanide);3,5-dimethyl-1-phenylpyrazole;tris(iridium(3+));1-phenylpyrazole;2-phenyl-1,3-thiazole
• PubChem CID: 158808945
• Molecular Formula: C103H92Ir3N11OS
• Molecular Weight: 2108.66 g/mol
• Exact Mass: 2109.61
• IUPAC Name: [(Z)-3-[(4-dibenzofuran-3-ylbenzene-6-id-1-yl)-methylamino]prop-2-enylidene]azanide;bis([(Z)-4-[[4-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]-methylamino]pent-3-en-2-ylidene]azanide);3,5-dimethyl-1-phenylpyrazole;tris(iridium(3+));1-phenylpyrazole;2-phenyl-1,3-thiazole
• SMILES: CC(=[N-])/C=C(/C)N(C)c1[c-]cc(-c2c(C)cc(-c3ccccc3)cc2C)cc1.CC(=[N-])/C=C(/C)N(C)c1[c-]cc(-c2c(C)cc(-c3ccccc3)cc2C)cc1.CN(/C=C\C=[N-])c1[c-]cc(-c2ccc3c(c2)oc2ccccc23)cc1.Cc1cc(C)n(-c2[c-]cccc2)n1.[Ir+3].[Ir+3].[Ir+3].[c-]1ccccc1-c1nccs1.[c-]1ccccc1-n1cccn1
• InChI: InChI=1S/2C26H26N2.C22H16N2O.C11H11N2.C9H7N2.C9H6NS.3Ir/c2*1-18-15-24(22-9-7-6-8-10-22)16-19(2)26(18)23-11-13-25(14-12-23)28(5)21(4)17-20(3)27;1-24(14-4-13-23)18-10-7-16(8-11-18)17-9-12-20-19-5-2-3-6-21(19)25-22(20)15-17;1-9-8-10(2)13(12-9)11-6-4-3-5-7-11;1-2-5-9(6-3-1)11-8-4-7-10-11;1-2-4-8(5-3-1)9-10-6-7-11-9;;;/h2*6-13,15-17H,1-5H3;2-10,12-15H,1H3;3-6,8H,1-2H3;1-5,7-8H;1-4,6-7H;;;/q3*-2;3*-1;3*+3/b2*21-17-;14-4-
• InChIKey: HXCRWSGXFCSYQU-NVTXVDLBSA-N
• XLogP: 25.82
• TPSA: 138.29 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 17
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2108.66
LogP ≤ 5	25.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(Z)-3-[(4-dibenzofuran-3-ylbenzene-6-id-1-yl)-methylamino]prop-2-enylidene]azanide;bis([(Z)-4-[[4-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]-methylamino]pent-3-en-2-ylidene]azanide);3,5-dimethyl-1-phenylpyrazole;tris(iridium(3+));1-phenylpyrazole;2-phenyl-1,3-thiazole?

The IUPAC name of [(Z)-3-[(4-dibenzofuran-3-ylbenzene-6-id-1-yl)-methylamino]prop-2-enylidene]azanide;bis([(Z)-4-[[4-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]-methylamino]pent-3-en-2-ylidene]azanide);3,5-dimethyl-1-phenylpyrazole;tris(iridium(3+));1-phenylpyrazole;2-phenyl-1,3-thiazole (CID 158808945) is [(Z)-3-[(4-dibenzofuran-3-ylbenzene-6-id-1-yl)-methylamino]prop-2-enylidene]azanide;bis([(Z)-4-[[4-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]-methylamino]pent-3-en-2-ylidene]azanide);3,5-dimethyl-1-phenylpyrazole;tris(iridium(3+));1-phenylpyrazole;2-phenyl-1,3-thiazole.

What is the SMILES notation for [(Z)-3-[(4-dibenzofuran-3-ylbenzene-6-id-1-yl)-methylamino]prop-2-enylidene]azanide;bis([(Z)-4-[[4-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]-methylamino]pent-3-en-2-ylidene]azanide);3,5-dimethyl-1-phenylpyrazole;tris(iridium(3+));1-phenylpyrazole;2-phenyl-1,3-thiazole?

The canonical SMILES for [(Z)-3-[(4-dibenzofuran-3-ylbenzene-6-id-1-yl)-methylamino]prop-2-enylidene]azanide;bis([(Z)-4-[[4-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]-methylamino]pent-3-en-2-ylidene]azanide);3,5-dimethyl-1-phenylpyrazole;tris(iridium(3+));1-phenylpyrazole;2-phenyl-1,3-thiazole is CC(=[N-])/C=C(/C)N(C)c1[c-]cc(-c2c(C)cc(-c3ccccc3)cc2C)cc1.CC(=[N-])/C=C(/C)N(C)c1[c-]cc(-c2c(C)cc(-c3ccccc3)cc2C)cc1.CN(/C=C\C=[N-])c1[c-]cc(-c2ccc3c(c2)oc2ccccc23)cc1.Cc1cc(C)n(-c2[c-]cccc2)n1.[Ir+3].[Ir+3].[Ir+3].[c-]1ccccc1-c1nccs1.[c-]1ccccc1-n1cccn1.

What is the InChIKey of [(Z)-3-[(4-dibenzofuran-3-ylbenzene-6-id-1-yl)-methylamino]prop-2-enylidene]azanide;bis([(Z)-4-[[4-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]-methylamino]pent-3-en-2-ylidene]azanide);3,5-dimethyl-1-phenylpyrazole;tris(iridium(3+));1-phenylpyrazole;2-phenyl-1,3-thiazole?

The InChIKey is HXCRWSGXFCSYQU-NVTXVDLBSA-N. The full InChI is InChI=1S/2C26H26N2.C22H16N2O.C11H11N2.C9H7N2.C9H6NS.3Ir/c2*1-18-15-24(22-9-7-6-8-10-22)16-19(2)26(18)23-11-13-25(14-12-23)28(5)21(4)17-20(3)27;1-24(14-4-13-23)18-10-7-16(8-11-18)17-9-12-20-19-5-2-3-6-21(19)25-22(20)15-17;1-9-8-10(2)13(12-9)11-6-4-3-5-7-11;1-2-5-9(6-3-1)11-8-4-7-10-11;1-2-4-8(5-3-1)9-10-6-7-11-9;;;/h2*6-13,15-17H,1-5H3;2-10,12-15H,1H3;3-6,8H,1-2H3;1-5,7-8H;1-4,6-7H;;;/q3*-2;3*-1;3*+3/b2*21-17-;14-4-;;;;;;.

What are the key properties of [(Z)-3-[(4-dibenzofuran-3-ylbenzene-6-id-1-yl)-methylamino]prop-2-enylidene]azanide;bis([(Z)-4-[[4-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]-methylamino]pent-3-en-2-ylidene]azanide);3,5-dimethyl-1-phenylpyrazole;tris(iridium(3+));1-phenylpyrazole;2-phenyl-1,3-thiazole?

[(Z)-3-[(4-dibenzofuran-3-ylbenzene-6-id-1-yl)-methylamino]prop-2-enylidene]azanide;bis([(Z)-4-[[4-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]-methylamino]pent-3-en-2-ylidene]azanide);3,5-dimethyl-1-phenylpyrazole;tris(iridium(3+));1-phenylpyrazole;2-phenyl-1,3-thiazole has a molecular weight of 2108.66 g/mol, XLogP of 25.82, 17 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [(Z)-3-[(4-dibenzofuran-3-ylbenzene-6-id-1-yl)-methylamino]prop-2-enylidene]azanide;bis([(Z)-4-[[4-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]-methylamino]pent-3-en-2-ylidene]azanide);3,5-dimethyl-1-phenylpyrazole;tris(iridium(3+));1-phenylpyrazole;2-phenyl-1,3-thiazole is sourced from PubChem (CID 158808945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).