2-[4-[2-[3,5-bis[(1R,2R)-1,2-dimethyl-2-(4-pyridin-2-ylbenzene-5-id-1-yl)cyclopentyl]phenyl]phenyl]benzene-6-id-1-yl]-4-(3,5-diphenylphenyl)pyridine;iridium(3+)

C77H64IrN3 — CID 165148556

About 2-[4-[2-[3,5-bis[(1R,2R)-1,2-dimethyl-2-(4-pyridin-2-ylbenzene-5-id-1-yl)cyclopentyl]phenyl]phenyl]benzene-6-id-1-yl]-4-(3,5-diphenylphenyl)pyridine;iridium(3+)

2-[4-[2-[3,5-bis[(1R,2R)-1,2-dimethyl-2-(4-pyridin-2-ylbenzene-5-id-1-yl)cyclopentyl]phenyl]phenyl]benzene-6-id-1-yl]-4-(3,5-diphenylphenyl)pyridine;iridium(3+) (PubChem CID 165148556) has the molecular formula C77H64IrN3 and a molecular weight of 1223.60 g/mol. Its IUPAC name is 2-[4-[2-[3,5-bis[(1R,2R)-1,2-dimethyl-2-(4-pyridin-2-ylbenzene-5-id-1-yl)cyclopentyl]phenyl]phenyl]benzene-6-id-1-yl]-4-(3,5-diphenylphenyl)pyridine;iridium(3+).

Molecular Properties

• Compound Name: 2-[4-[2-[3,5-bis[(1R,2R)-1,2-dimethyl-2-(4-pyridin-2-ylbenzene-5-id-1-yl)cyclopentyl]phenyl]phenyl]benzene-6-id-1-yl]-4-(3,5-diphenylphenyl)pyridine;iridium(3+)
• PubChem CID: 165148556
• Molecular Formula: C77H64IrN3
• Molecular Weight: 1223.60 g/mol
• Exact Mass: 1223.47
• IUPAC Name: 2-[4-[2-[3,5-bis[(1R,2R)-1,2-dimethyl-2-(4-pyridin-2-ylbenzene-5-id-1-yl)cyclopentyl]phenyl]phenyl]benzene-6-id-1-yl]-4-(3,5-diphenylphenyl)pyridine;iridium(3+)
• SMILES: C[C@]1(c2c[c-]c(-c3ccccn3)cc2)CCC[C@]1(C)c1cc(-c2ccccc2-c2c[c-]c(-c3cc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)ccn3)cc2)cc([C@@]2(C)CCC[C@]2(C)c2c[c-]c(-c3ccccn3)cc2)c1.[Ir+3]
• InChI: InChI=1S/C77H64N3.Ir/c1-74(65-35-31-57(32-36-65)71-25-13-15-44-78-71)40-17-42-76(74,3)67-50-64(51-68(53-67)77(4)43-18-41-75(77,2)66-37-33-58(34-38-66)72-26-14-16-45-79-72)70-24-12-11-23-69(70)56-27-29-59(30-28-56)73-52-60(39-46-80-73)63-48-61(54-19-7-5-8-20-54)47-62(49-63)55-21-9-6-10-22-55;/h5-16,19-29,31,33,35-39,44-53H,17-18,40-43H2,1-4H3;/q-3;+3/t74-,75-,76-,77-;/m1./s1
• InChIKey: YJUKDXSJXJXNGY-DMXVITBZSA-N
• XLogP: 19.40
• TPSA: 38.67 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 12
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1223.60
LogP ≤ 5	19.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

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[(1R,2R)-1,2-dimethyl-2-(4-pyridin-2-ylbenzene-5-id-1-yl)cyclopentyl]phenyl]phenyl]benzene-6-id-1-yl]-4-(3,5-diphenylphenyl)pyridine;iridium(3+)?

The IUPAC name of 2-[4-[2-[3,5-bis[(1R,2R)-1,2-dimethyl-2-(4-pyridin-2-ylbenzene-5-id-1-yl)cyclopentyl]phenyl]phenyl]benzene-6-id-1-yl]-4-(3,5-diphenylphenyl)pyridine;iridium(3+) (CID 165148556) is 2-[4-[2-[3,5-bis[(1R,2R)-1,2-dimethyl-2-(4-pyridin-2-ylbenzene-5-id-1-yl)cyclopentyl]phenyl]phenyl]benzene-6-id-1-yl]-4-(3,5-diphenylphenyl)pyridine;iridium(3+).

What is the SMILES notation for 2-[4-[2-[3,5-bis[(1R,2R)-1,2-dimethyl-2-(4-pyridin-2-ylbenzene-5-id-1-yl)cyclopentyl]phenyl]phenyl]benzene-6-id-1-yl]-4-(3,5-diphenylphenyl)pyridine;iridium(3+)?

The canonical SMILES for 2-[4-[2-[3,5-bis[(1R,2R)-1,2-dimethyl-2-(4-pyridin-2-ylbenzene-5-id-1-yl)cyclopentyl]phenyl]phenyl]benzene-6-id-1-yl]-4-(3,5-diphenylphenyl)pyridine;iridium(3+) is C[C@]1(c2c[c-]c(-c3ccccn3)cc2)CCC[C@]1(C)c1cc(-c2ccccc2-c2c[c-]c(-c3cc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)ccn3)cc2)cc([C@@]2(C)CCC[C@]2(C)c2c[c-]c(-c3ccccn3)cc2)c1.[Ir+3].

What is the InChIKey of 2-[4-[2-[3,5-bis[(1R,2R)-1,2-dimethyl-2-(4-pyridin-2-ylbenzene-5-id-1-yl)cyclopentyl]phenyl]phenyl]benzene-6-id-1-yl]-4-(3,5-diphenylphenyl)pyridine;iridium(3+)?

The InChIKey is YJUKDXSJXJXNGY-DMXVITBZSA-N. The full InChI is InChI=1S/C77H64N3.Ir/c1-74(65-35-31-57(32-36-65)71-25-13-15-44-78-71)40-17-42-76(74,3)67-50-64(51-68(53-67)77(4)43-18-41-75(77,2)66-37-33-58(34-38-66)72-26-14-16-45-79-72)70-24-12-11-23-69(70)56-27-29-59(30-28-56)73-52-60(39-46-80-73)63-48-61(54-19-7-5-8-20-54)47-62(49-63)55-21-9-6-10-22-55;/h5-16,19-29,31,33,35-39,44-53H,17-18,40-43H2,1-4H3;/q-3;+3/t74-,75-,76-,77-;/m1./s1.

What are the key properties of 2-[4-[2-[3,5-bis[(1R,2R)-1,2-dimethyl-2-(4-pyridin-2-ylbenzene-5-id-1-yl)cyclopentyl]phenyl]phenyl]benzene-6-id-1-yl]-4-(3,5-diphenylphenyl)pyridine;iridium(3+)?

2-[4-[2-[3,5-bis[(1R,2R)-1,2-dimethyl-2-(4-pyridin-2-ylbenzene-5-id-1-yl)cyclopentyl]phenyl]phenyl]benzene-6-id-1-yl]-4-(3,5-diphenylphenyl)pyridine;iridium(3+) has a molecular weight of 1223.60 g/mol, XLogP of 19.40, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[2-[3,5-bis[(1R,2R)-1,2-dimethyl-2-(4-pyridin-2-ylbenzene-5-id-1-yl)cyclopentyl]phenyl]phenyl]benzene-6-id-1-yl]-4-(3,5-diphenylphenyl)pyridine;iridium(3+) is sourced from PubChem (CID 165148556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).