5-[2-[3-[2-(6-carboxy-3-pyridinyl)phenyl]-5-[2-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]benzene-5-id-1-yl]phenyl]phenyl]phenyl]pyridine-2-carboxylic acid;iridium

C62H39IrN6O4- — CID 140838662

About 5-[2-[3-[2-(6-carboxy-3-pyridinyl)phenyl]-5-[2-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]benzene-5-id-1-yl]phenyl]phenyl]phenyl]pyridine-2-carboxylic acid;iridium

5-[2-[3-[2-(6-carboxy-3-pyridinyl)phenyl]-5-[2-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]benzene-5-id-1-yl]phenyl]phenyl]phenyl]pyridine-2-carboxylic acid;iridium (PubChem CID 140838662) has the molecular formula C62H39IrN6O4- and a molecular weight of 1124.25 g/mol. Its IUPAC name is 5-[2-[3-[2-(6-carboxy-3-pyridinyl)phenyl]-5-[2-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]benzene-5-id-1-yl]phenyl]phenyl]phenyl]pyridine-2-carboxylic acid;iridium.

Molecular Properties

• Compound Name: 5-[2-[3-[2-(6-carboxy-3-pyridinyl)phenyl]-5-[2-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]benzene-5-id-1-yl]phenyl]phenyl]phenyl]pyridine-2-carboxylic acid;iridium
• PubChem CID: 140838662
• Molecular Formula: C62H39IrN6O4-
• Molecular Weight: 1124.25 g/mol
• Exact Mass: 1124.27
• IUPAC Name: 5-[2-[3-[2-(6-carboxy-3-pyridinyl)phenyl]-5-[2-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]benzene-5-id-1-yl]phenyl]phenyl]phenyl]pyridine-2-carboxylic acid;iridium
• SMILES: O=C(O)c1ccc(-c2ccccc2-c2cc(-c3ccccc3-c3c[c-]c(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cn4)cc3)cc(-c3ccccc3-c3ccc(C(=O)O)nc3)c2)cn1.[Ir]
• InChI: InChI=1S/C62H39N6O4.Ir/c69-61(70)56-31-27-43(36-64-56)50-18-8-11-21-53(50)47-33-46(34-48(35-47)54-22-12-9-19-51(54)44-28-32-57(62(71)72)65-37-44)52-20-10-7-17-49(52)39-23-25-40(26-24-39)55-30-29-45(38-63-55)60-67-58(41-13-3-1-4-14-41)66-59(68-60)42-15-5-2-6-16-42;/h1-25,27-38H,(H,69,70)(H,71,72);/q-1
• InChIKey: MPHCTPSEJNQSLJ-UHFFFAOYSA-N
• XLogP: 13.92
• TPSA: 151.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1124.25
LogP ≤ 5	13.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[2-[3-[2-(6-carboxy-3-pyridinyl)phenyl]-5-[2-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]benzene-5-id-1-yl]phenyl]phenyl]phenyl]pyridine-2-carboxylic acid;iridium?

The IUPAC name of 5-[2-[3-[2-(6-carboxy-3-pyridinyl)phenyl]-5-[2-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]benzene-5-id-1-yl]phenyl]phenyl]phenyl]pyridine-2-carboxylic acid;iridium (CID 140838662) is 5-[2-[3-[2-(6-carboxy-3-pyridinyl)phenyl]-5-[2-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]benzene-5-id-1-yl]phenyl]phenyl]phenyl]pyridine-2-carboxylic acid;iridium.

What is the SMILES notation for 5-[2-[3-[2-(6-carboxy-3-pyridinyl)phenyl]-5-[2-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]benzene-5-id-1-yl]phenyl]phenyl]phenyl]pyridine-2-carboxylic acid;iridium?

The canonical SMILES for 5-[2-[3-[2-(6-carboxy-3-pyridinyl)phenyl]-5-[2-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]benzene-5-id-1-yl]phenyl]phenyl]phenyl]pyridine-2-carboxylic acid;iridium is O=C(O)c1ccc(-c2ccccc2-c2cc(-c3ccccc3-c3c[c-]c(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cn4)cc3)cc(-c3ccccc3-c3ccc(C(=O)O)nc3)c2)cn1.[Ir].

What is the InChIKey of 5-[2-[3-[2-(6-carboxy-3-pyridinyl)phenyl]-5-[2-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]benzene-5-id-1-yl]phenyl]phenyl]phenyl]pyridine-2-carboxylic acid;iridium?

The InChIKey is MPHCTPSEJNQSLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H39N6O4.Ir/c69-61(70)56-31-27-43(36-64-56)50-18-8-11-21-53(50)47-33-46(34-48(35-47)54-22-12-9-19-51(54)44-28-32-57(62(71)72)65-37-44)52-20-10-7-17-49(52)39-23-25-40(26-24-39)55-30-29-45(38-63-55)60-67-58(41-13-3-1-4-14-41)66-59(68-60)42-15-5-2-6-16-42;/h1-25,27-38H,(H,69,70)(H,71,72);/q-1;.

What are the key properties of 5-[2-[3-[2-(6-carboxy-3-pyridinyl)phenyl]-5-[2-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]benzene-5-id-1-yl]phenyl]phenyl]phenyl]pyridine-2-carboxylic acid;iridium?

5-[2-[3-[2-(6-carboxy-3-pyridinyl)phenyl]-5-[2-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]benzene-5-id-1-yl]phenyl]phenyl]phenyl]pyridine-2-carboxylic acid;iridium has a molecular weight of 1124.25 g/mol, XLogP of 13.92, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[3-[2-(6-carboxy-3-pyridinyl)phenyl]-5-[2-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]benzene-5-id-1-yl]phenyl]phenyl]phenyl]pyridine-2-carboxylic acid;iridium is sourced from PubChem (CID 140838662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).