2,3-dimethyl-8-phenylimidazo[1,2-a]pyrazine;1-[4-[4,5-dimethyl-3-(4-propan-2-ylbenzene-6-id-1-yl)-2H-imidazol-2-id-1-yl]butyl]-4,5-dimethyl-3-(4-propan-2-ylbenzene-6-id-1-yl)-2H-imidazol-2-ide;iridium

C46H54IrN7-5 — CID 155636954

About 2,3-dimethyl-8-phenylimidazo[1,2-a]pyrazine;1-[4-[4,5-dimethyl-3-(4-propan-2-ylbenzene-6-id-1-yl)-2H-imidazol-2-id-1-yl]butyl]-4,5-dimethyl-3-(4-propan-2-ylbenzene-6-id-1-yl)-2H-imidazol-2-ide;iridium

2,3-dimethyl-8-phenylimidazo[1,2-a]pyrazine;1-[4-[4,5-dimethyl-3-(4-propan-2-ylbenzene-6-id-1-yl)-2H-imidazol-2-id-1-yl]butyl]-4,5-dimethyl-3-(4-propan-2-ylbenzene-6-id-1-yl)-2H-imidazol-2-ide;iridium (PubChem CID 155636954) has the molecular formula C46H54IrN7-5 and a molecular weight of 897.20 g/mol. Its IUPAC name is 2,3-dimethyl-8-phenylimidazo[1,2-a]pyrazine;1-[4-[4,5-dimethyl-3-(4-propan-2-ylbenzene-6-id-1-yl)-2H-imidazol-2-id-1-yl]butyl]-4,5-dimethyl-3-(4-propan-2-ylbenzene-6-id-1-yl)-2H-imidazol-2-ide;iridium.

Molecular Properties

• Compound Name: 2,3-dimethyl-8-phenylimidazo[1,2-a]pyrazine;1-[4-[4,5-dimethyl-3-(4-propan-2-ylbenzene-6-id-1-yl)-2H-imidazol-2-id-1-yl]butyl]-4,5-dimethyl-3-(4-propan-2-ylbenzene-6-id-1-yl)-2H-imidazol-2-ide;iridium
• PubChem CID: 155636954
• Molecular Formula: C46H54IrN7-5
• Molecular Weight: 897.20 g/mol
• Exact Mass: 897.41
• IUPAC Name: 2,3-dimethyl-8-phenylimidazo[1,2-a]pyrazine;1-[4-[4,5-dimethyl-3-(4-propan-2-ylbenzene-6-id-1-yl)-2H-imidazol-2-id-1-yl]butyl]-4,5-dimethyl-3-(4-propan-2-ylbenzene-6-id-1-yl)-2H-imidazol-2-ide;iridium
• SMILES: CC1=C(C)N(c2[c-]cc(C(C)C)cc2)[CH-]N1CCCCN1[CH-]N(c2[c-]cc(C(C)C)cc2)C(C)=C1C.Cc1nc2c(-c3[c-]cccc3)nccn2c1C.[Ir]
• InChI: InChI=1S/C32H42N4.C14H12N3.Ir/c1-23(2)29-11-15-31(16-12-29)35-21-33(25(5)27(35)7)19-9-10-20-34-22-36(28(8)26(34)6)32-17-13-30(14-18-32)24(3)4;1-10-11(2)17-9-8-15-13(14(17)16-10)12-6-4-3-5-7-12;/h11-15,17,21-24H,9-10,19-20H2,1-8H3;3-6,8-9H,1-2H3;/q-4;-1
• InChIKey: RYCQDSQLERROTP-UHFFFAOYSA-N
• XLogP: 10.81
• TPSA: 43.15 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	897.20
LogP ≤ 5	10.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-8-phenylimidazo[1,2-a]pyrazine;1-[4-[4,5-dimethyl-3-(4-propan-2-ylbenzene-6-id-1-yl)-2H-imidazol-2-id-1-yl]butyl]-4,5-dimethyl-3-(4-propan-2-ylbenzene-6-id-1-yl)-2H-imidazol-2-ide;iridium?

The IUPAC name of 2,3-dimethyl-8-phenylimidazo[1,2-a]pyrazine;1-[4-[4,5-dimethyl-3-(4-propan-2-ylbenzene-6-id-1-yl)-2H-imidazol-2-id-1-yl]butyl]-4,5-dimethyl-3-(4-propan-2-ylbenzene-6-id-1-yl)-2H-imidazol-2-ide;iridium (CID 155636954) is 2,3-dimethyl-8-phenylimidazo[1,2-a]pyrazine;1-[4-[4,5-dimethyl-3-(4-propan-2-ylbenzene-6-id-1-yl)-2H-imidazol-2-id-1-yl]butyl]-4,5-dimethyl-3-(4-propan-2-ylbenzene-6-id-1-yl)-2H-imidazol-2-ide;iridium.

What is the SMILES notation for 2,3-dimethyl-8-phenylimidazo[1,2-a]pyrazine;1-[4-[4,5-dimethyl-3-(4-propan-2-ylbenzene-6-id-1-yl)-2H-imidazol-2-id-1-yl]butyl]-4,5-dimethyl-3-(4-propan-2-ylbenzene-6-id-1-yl)-2H-imidazol-2-ide;iridium?

The canonical SMILES for 2,3-dimethyl-8-phenylimidazo[1,2-a]pyrazine;1-[4-[4,5-dimethyl-3-(4-propan-2-ylbenzene-6-id-1-yl)-2H-imidazol-2-id-1-yl]butyl]-4,5-dimethyl-3-(4-propan-2-ylbenzene-6-id-1-yl)-2H-imidazol-2-ide;iridium is CC1=C(C)N(c2[c-]cc(C(C)C)cc2)[CH-]N1CCCCN1[CH-]N(c2[c-]cc(C(C)C)cc2)C(C)=C1C.Cc1nc2c(-c3[c-]cccc3)nccn2c1C.[Ir].

What is the InChIKey of 2,3-dimethyl-8-phenylimidazo[1,2-a]pyrazine;1-[4-[4,5-dimethyl-3-(4-propan-2-ylbenzene-6-id-1-yl)-2H-imidazol-2-id-1-yl]butyl]-4,5-dimethyl-3-(4-propan-2-ylbenzene-6-id-1-yl)-2H-imidazol-2-ide;iridium?

The InChIKey is RYCQDSQLERROTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H42N4.C14H12N3.Ir/c1-23(2)29-11-15-31(16-12-29)35-21-33(25(5)27(35)7)19-9-10-20-34-22-36(28(8)26(34)6)32-17-13-30(14-18-32)24(3)4;1-10-11(2)17-9-8-15-13(14(17)16-10)12-6-4-3-5-7-12;/h11-15,17,21-24H,9-10,19-20H2,1-8H3;3-6,8-9H,1-2H3;/q-4;-1;.

What are the key properties of 2,3-dimethyl-8-phenylimidazo[1,2-a]pyrazine;1-[4-[4,5-dimethyl-3-(4-propan-2-ylbenzene-6-id-1-yl)-2H-imidazol-2-id-1-yl]butyl]-4,5-dimethyl-3-(4-propan-2-ylbenzene-6-id-1-yl)-2H-imidazol-2-ide;iridium?

2,3-dimethyl-8-phenylimidazo[1,2-a]pyrazine;1-[4-[4,5-dimethyl-3-(4-propan-2-ylbenzene-6-id-1-yl)-2H-imidazol-2-id-1-yl]butyl]-4,5-dimethyl-3-(4-propan-2-ylbenzene-6-id-1-yl)-2H-imidazol-2-ide;iridium has a molecular weight of 897.20 g/mol, XLogP of 10.81, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3-dimethyl-8-phenylimidazo[1,2-a]pyrazine;1-[4-[4,5-dimethyl-3-(4-propan-2-ylbenzene-6-id-1-yl)-2H-imidazol-2-id-1-yl]butyl]-4,5-dimethyl-3-(4-propan-2-ylbenzene-6-id-1-yl)-2H-imidazol-2-ide;iridium is sourced from PubChem (CID 155636954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).