iridium(3+);3-methyl-5-[1-[[3-[[1-[5-methyl-6-(3H-pyridin-3-id-2-yl)-3-pyridinyl]cyclopentyl]methyl]-5-[2-[6-phenyl-4-(4-phenylphenyl)-3-pyridinyl]phenyl]phenyl]methyl]cyclopentyl]-2-(3H-pyridin-3-id-2-yl)pyridine

C69H58IrN5 — CID 165148781

About iridium(3+);3-methyl-5-[1-[[3-[[1-[5-methyl-6-(3H-pyridin-3-id-2-yl)-3-pyridinyl]cyclopentyl]methyl]-5-[2-[6-phenyl-4-(4-phenylphenyl)-3-pyridinyl]phenyl]phenyl]methyl]cyclopentyl]-2-(3H-pyridin-3-id-2-yl)pyridine

iridium(3+);3-methyl-5-[1-[[3-[[1-[5-methyl-6-(3H-pyridin-3-id-2-yl)-3-pyridinyl]cyclopentyl]methyl]-5-[2-[6-phenyl-4-(4-phenylphenyl)-3-pyridinyl]phenyl]phenyl]methyl]cyclopentyl]-2-(3H-pyridin-3-id-2-yl)pyridine (PubChem CID 165148781) has the molecular formula C69H58IrN5 and a molecular weight of 1149.47 g/mol. Its IUPAC name is iridium(3+);3-methyl-5-[1-[[3-[[1-[5-methyl-6-(3H-pyridin-3-id-2-yl)-3-pyridinyl]cyclopentyl]methyl]-5-[2-[6-phenyl-4-(4-phenylphenyl)-3-pyridinyl]phenyl]phenyl]methyl]cyclopentyl]-2-(3H-pyridin-3-id-2-yl)pyridine.

Molecular Properties

• Compound Name: iridium(3+);3-methyl-5-[1-[[3-[[1-[5-methyl-6-(3H-pyridin-3-id-2-yl)-3-pyridinyl]cyclopentyl]methyl]-5-[2-[6-phenyl-4-(4-phenylphenyl)-3-pyridinyl]phenyl]phenyl]methyl]cyclopentyl]-2-(3H-pyridin-3-id-2-yl)pyridine
• PubChem CID: 165148781
• Molecular Formula: C69H58IrN5
• Molecular Weight: 1149.47 g/mol
• Exact Mass: 1149.43
• IUPAC Name: iridium(3+);3-methyl-5-[1-[[3-[[1-[5-methyl-6-(3H-pyridin-3-id-2-yl)-3-pyridinyl]cyclopentyl]methyl]-5-[2-[6-phenyl-4-(4-phenylphenyl)-3-pyridinyl]phenyl]phenyl]methyl]cyclopentyl]-2-(3H-pyridin-3-id-2-yl)pyridine
• SMILES: Cc1cc(C2(Cc3cc(CC4(c5cnc(-c6[c-]cccn6)c(C)c5)CCCC4)cc(-c4ccccc4-c4cnc(-c5[c-]cccc5)cc4-c4ccc(-c5ccccc5)cc4)c3)CCCC2)cnc1-c1[c-]cccn1.[Ir+3]
• InChI: InChI=1S/C69H58N5.Ir/c1-48-37-57(45-73-66(48)63-25-11-17-35-70-63)68(31-13-14-32-68)43-50-39-51(44-69(33-15-16-34-69)58-38-49(2)67(74-46-58)64-26-12-18-36-71-64)41-56(40-50)59-23-9-10-24-60(59)62-47-72-65(55-21-7-4-8-22-55)42-61(62)54-29-27-53(28-30-54)52-19-5-3-6-20-52;/h3-12,17-21,23-24,27-30,35-42,45-47H,13-16,31-34,43-44H2,1-2H3;/q-3;+3
• InChIKey: XTUPGSVVEULFDJ-UHFFFAOYSA-N
• XLogP: 16.45
• TPSA: 64.45 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 13
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1149.47
LogP ≤ 5	16.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of iridium(3+);3-methyl-5-[1-[[3-[[1-[5-methyl-6-(3H-pyridin-3-id-2-yl)-3-pyridinyl]cyclopentyl]methyl]-5-[2-[6-phenyl-4-(4-phenylphenyl)-3-pyridinyl]phenyl]phenyl]methyl]cyclopentyl]-2-(3H-pyridin-3-id-2-yl)pyridine?

The IUPAC name of iridium(3+);3-methyl-5-[1-[[3-[[1-[5-methyl-6-(3H-pyridin-3-id-2-yl)-3-pyridinyl]cyclopentyl]methyl]-5-[2-[6-phenyl-4-(4-phenylphenyl)-3-pyridinyl]phenyl]phenyl]methyl]cyclopentyl]-2-(3H-pyridin-3-id-2-yl)pyridine (CID 165148781) is iridium(3+);3-methyl-5-[1-[[3-[[1-[5-methyl-6-(3H-pyridin-3-id-2-yl)-3-pyridinyl]cyclopentyl]methyl]-5-[2-[6-phenyl-4-(4-phenylphenyl)-3-pyridinyl]phenyl]phenyl]methyl]cyclopentyl]-2-(3H-pyridin-3-id-2-yl)pyridine.

What is the SMILES notation for iridium(3+);3-methyl-5-[1-[[3-[[1-[5-methyl-6-(3H-pyridin-3-id-2-yl)-3-pyridinyl]cyclopentyl]methyl]-5-[2-[6-phenyl-4-(4-phenylphenyl)-3-pyridinyl]phenyl]phenyl]methyl]cyclopentyl]-2-(3H-pyridin-3-id-2-yl)pyridine?

The canonical SMILES for iridium(3+);3-methyl-5-[1-[[3-[[1-[5-methyl-6-(3H-pyridin-3-id-2-yl)-3-pyridinyl]cyclopentyl]methyl]-5-[2-[6-phenyl-4-(4-phenylphenyl)-3-pyridinyl]phenyl]phenyl]methyl]cyclopentyl]-2-(3H-pyridin-3-id-2-yl)pyridine is Cc1cc(C2(Cc3cc(CC4(c5cnc(-c6[c-]cccn6)c(C)c5)CCCC4)cc(-c4ccccc4-c4cnc(-c5[c-]cccc5)cc4-c4ccc(-c5ccccc5)cc4)c3)CCCC2)cnc1-c1[c-]cccn1.[Ir+3].

What is the InChIKey of iridium(3+);3-methyl-5-[1-[[3-[[1-[5-methyl-6-(3H-pyridin-3-id-2-yl)-3-pyridinyl]cyclopentyl]methyl]-5-[2-[6-phenyl-4-(4-phenylphenyl)-3-pyridinyl]phenyl]phenyl]methyl]cyclopentyl]-2-(3H-pyridin-3-id-2-yl)pyridine?

The InChIKey is XTUPGSVVEULFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H58N5.Ir/c1-48-37-57(45-73-66(48)63-25-11-17-35-70-63)68(31-13-14-32-68)43-50-39-51(44-69(33-15-16-34-69)58-38-49(2)67(74-46-58)64-26-12-18-36-71-64)41-56(40-50)59-23-9-10-24-60(59)62-47-72-65(55-21-7-4-8-22-55)42-61(62)54-29-27-53(28-30-54)52-19-5-3-6-20-52;/h3-12,17-21,23-24,27-30,35-42,45-47H,13-16,31-34,43-44H2,1-2H3;/q-3;+3.

What are the key properties of iridium(3+);3-methyl-5-[1-[[3-[[1-[5-methyl-6-(3H-pyridin-3-id-2-yl)-3-pyridinyl]cyclopentyl]methyl]-5-[2-[6-phenyl-4-(4-phenylphenyl)-3-pyridinyl]phenyl]phenyl]methyl]cyclopentyl]-2-(3H-pyridin-3-id-2-yl)pyridine?

iridium(3+);3-methyl-5-[1-[[3-[[1-[5-methyl-6-(3H-pyridin-3-id-2-yl)-3-pyridinyl]cyclopentyl]methyl]-5-[2-[6-phenyl-4-(4-phenylphenyl)-3-pyridinyl]phenyl]phenyl]methyl]cyclopentyl]-2-(3H-pyridin-3-id-2-yl)pyridine has a molecular weight of 1149.47 g/mol, XLogP of 16.45, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for iridium(3+);3-methyl-5-[1-[[3-[[1-[5-methyl-6-(3H-pyridin-3-id-2-yl)-3-pyridinyl]cyclopentyl]methyl]-5-[2-[6-phenyl-4-(4-phenylphenyl)-3-pyridinyl]phenyl]phenyl]methyl]cyclopentyl]-2-(3H-pyridin-3-id-2-yl)pyridine is sourced from PubChem (CID 165148781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).