2-[4-[2-[3,5-bis[2-[4-(1-methylimidazol-2-yl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-3-phenylbenzene-6-id-1-yl]-4-dibenzofuran-3-ylpyridine;iridium(3+)

C73H48IrN5O — CID 153457928

About 2-[4-[2-[3,5-bis[2-[4-(1-methylimidazol-2-yl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-3-phenylbenzene-6-id-1-yl]-4-dibenzofuran-3-ylpyridine;iridium(3+)

2-[4-[2-[3,5-bis[2-[4-(1-methylimidazol-2-yl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-3-phenylbenzene-6-id-1-yl]-4-dibenzofuran-3-ylpyridine;iridium(3+) (PubChem CID 153457928) has the molecular formula C73H48IrN5O and a molecular weight of 1203.44 g/mol. Its IUPAC name is 2-[4-[2-[3,5-bis[2-[4-(1-methylimidazol-2-yl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-3-phenylbenzene-6-id-1-yl]-4-dibenzofuran-3-ylpyridine;iridium(3+).

Molecular Properties

• Compound Name: 2-[4-[2-[3,5-bis[2-[4-(1-methylimidazol-2-yl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-3-phenylbenzene-6-id-1-yl]-4-dibenzofuran-3-ylpyridine;iridium(3+)
• PubChem CID: 153457928
• Molecular Formula: C73H48IrN5O
• Molecular Weight: 1203.44 g/mol
• Exact Mass: 1203.35
• IUPAC Name: 2-[4-[2-[3,5-bis[2-[4-(1-methylimidazol-2-yl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-3-phenylbenzene-6-id-1-yl]-4-dibenzofuran-3-ylpyridine;iridium(3+)
• SMILES: Cn1ccnc1-c1[c-]cc(-c2ccccc2-c2cc(-c3ccccc3-c3c[c-]c(-c4nccn4C)cc3)cc(-c3ccccc3-c3c[c-]c(-c4cc(-c5ccc6c(c5)oc5ccccc56)ccn4)cc3-c3ccccc3)c2)cc1.[Ir+3]
• InChI: InChI=1S/C73H48N5O.Ir/c1-77-40-38-75-72(77)51-28-24-49(25-29-51)59-16-6-8-18-61(59)56-42-57(62-19-9-7-17-60(62)50-26-30-52(31-27-50)73-76-39-41-78(73)2)44-58(43-56)63-20-10-11-21-64(63)65-34-33-55(45-68(65)48-14-4-3-5-15-48)69-46-54(36-37-74-69)53-32-35-67-66-22-12-13-23-70(66)79-71(67)47-53;/h3-28,30,32,34-47H,1-2H3;/q-3;+3
• InChIKey: LUKJLZYLJFNWML-UHFFFAOYSA-N
• XLogP: 18.18
• TPSA: 61.67 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1203.44
LogP ≤ 5	18.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[3,5-bis[2-[4-(1-methylimidazol-2-yl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-3-phenylbenzene-6-id-1-yl]-4-dibenzofuran-3-ylpyridine;iridium(3+)?

The IUPAC name of 2-[4-[2-[3,5-bis[2-[4-(1-methylimidazol-2-yl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-3-phenylbenzene-6-id-1-yl]-4-dibenzofuran-3-ylpyridine;iridium(3+) (CID 153457928) is 2-[4-[2-[3,5-bis[2-[4-(1-methylimidazol-2-yl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-3-phenylbenzene-6-id-1-yl]-4-dibenzofuran-3-ylpyridine;iridium(3+).

What is the SMILES notation for 2-[4-[2-[3,5-bis[2-[4-(1-methylimidazol-2-yl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-3-phenylbenzene-6-id-1-yl]-4-dibenzofuran-3-ylpyridine;iridium(3+)?

The canonical SMILES for 2-[4-[2-[3,5-bis[2-[4-(1-methylimidazol-2-yl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-3-phenylbenzene-6-id-1-yl]-4-dibenzofuran-3-ylpyridine;iridium(3+) is Cn1ccnc1-c1[c-]cc(-c2ccccc2-c2cc(-c3ccccc3-c3c[c-]c(-c4nccn4C)cc3)cc(-c3ccccc3-c3c[c-]c(-c4cc(-c5ccc6c(c5)oc5ccccc56)ccn4)cc3-c3ccccc3)c2)cc1.[Ir+3].

What is the InChIKey of 2-[4-[2-[3,5-bis[2-[4-(1-methylimidazol-2-yl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-3-phenylbenzene-6-id-1-yl]-4-dibenzofuran-3-ylpyridine;iridium(3+)?

The InChIKey is LUKJLZYLJFNWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H48N5O.Ir/c1-77-40-38-75-72(77)51-28-24-49(25-29-51)59-16-6-8-18-61(59)56-42-57(62-19-9-7-17-60(62)50-26-30-52(31-27-50)73-76-39-41-78(73)2)44-58(43-56)63-20-10-11-21-64(63)65-34-33-55(45-68(65)48-14-4-3-5-15-48)69-46-54(36-37-74-69)53-32-35-67-66-22-12-13-23-70(66)79-71(67)47-53;/h3-28,30,32,34-47H,1-2H3;/q-3;+3.

What are the key properties of 2-[4-[2-[3,5-bis[2-[4-(1-methylimidazol-2-yl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-3-phenylbenzene-6-id-1-yl]-4-dibenzofuran-3-ylpyridine;iridium(3+)?

2-[4-[2-[3,5-bis[2-[4-(1-methylimidazol-2-yl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-3-phenylbenzene-6-id-1-yl]-4-dibenzofuran-3-ylpyridine;iridium(3+) has a molecular weight of 1203.44 g/mol, XLogP of 18.18, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[2-[3,5-bis[2-[4-(1-methylimidazol-2-yl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-3-phenylbenzene-6-id-1-yl]-4-dibenzofuran-3-ylpyridine;iridium(3+) is sourced from PubChem (CID 153457928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).