5-[2-[3,5-bis[2-[6-[3-(3-phenylphenyl)benzene-6-id-1-yl]-3-pyridinyl]phenyl]cyclohexyl]phenyl]-2-[3-(3-phenylphenyl)benzene-6-id-1-yl]pyridine;iridium(3+)

C93H66IrN3 — CID 153439051

About 5-[2-[3,5-bis[2-[6-[3-(3-phenylphenyl)benzene-6-id-1-yl]-3-pyridinyl]phenyl]cyclohexyl]phenyl]-2-[3-(3-phenylphenyl)benzene-6-id-1-yl]pyridine;iridium(3+)

5-[2-[3,5-bis[2-[6-[3-(3-phenylphenyl)benzene-6-id-1-yl]-3-pyridinyl]phenyl]cyclohexyl]phenyl]-2-[3-(3-phenylphenyl)benzene-6-id-1-yl]pyridine;iridium(3+) (PubChem CID 153439051) has the molecular formula C93H66IrN3 and a molecular weight of 1417.79 g/mol. Its IUPAC name is 5-[2-[3,5-bis[2-[6-[3-(3-phenylphenyl)benzene-6-id-1-yl]-3-pyridinyl]phenyl]cyclohexyl]phenyl]-2-[3-(3-phenylphenyl)benzene-6-id-1-yl]pyridine;iridium(3+).

Molecular Properties

• Compound Name: 5-[2-[3,5-bis[2-[6-[3-(3-phenylphenyl)benzene-6-id-1-yl]-3-pyridinyl]phenyl]cyclohexyl]phenyl]-2-[3-(3-phenylphenyl)benzene-6-id-1-yl]pyridine;iridium(3+)
• PubChem CID: 153439051
• Molecular Formula: C93H66IrN3
• Molecular Weight: 1417.79 g/mol
• Exact Mass: 1417.49
• IUPAC Name: 5-[2-[3,5-bis[2-[6-[3-(3-phenylphenyl)benzene-6-id-1-yl]-3-pyridinyl]phenyl]cyclohexyl]phenyl]-2-[3-(3-phenylphenyl)benzene-6-id-1-yl]pyridine;iridium(3+)
• SMILES: [Ir+3].[c-]1ccc(-c2cccc(-c3ccccc3)c2)cc1-c1ccc(-c2ccccc2C2CC(c3ccccc3-c3ccc(-c4[c-]ccc(-c5cccc(-c6ccccc6)c5)c4)nc3)CC(c3ccccc3-c3ccc(-c4[c-]ccc(-c5cccc(-c6ccccc6)c5)c4)nc3)C2)cn1
• InChI: InChI=1S/C93H66N3.Ir/c1-4-22-64(23-5-1)67-28-16-31-70(52-67)73-34-19-37-76(55-73)91-49-46-79(61-94-91)85-40-10-13-43-88(85)82-58-83(89-44-14-11-41-86(89)80-47-50-92(95-62-80)77-38-20-35-74(56-77)71-32-17-29-68(53-71)65-24-6-2-7-25-65)60-84(59-82)90-45-15-12-42-87(90)81-48-51-93(96-63-81)78-39-21-36-75(57-78)72-33-18-30-69(54-72)66-26-8-3-9-27-66;/h1-36,40-57,61-63,82-84H,58-60H2;/q-3;+3
• InChIKey: LBZXFTAZAXRFQA-UHFFFAOYSA-N
• XLogP: 24.11
• TPSA: 38.67 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 15
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1417.79
LogP ≤ 5	24.11
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 5-[2-[3,5-bis[2-[6-[3-(3-phenylphenyl)benzene-6-id-1-yl]-3-pyridinyl]phenyl]cyclohexyl]phenyl]-2-[3-(3-phenylphenyl)benzene-6-id-1-yl]pyridine;iridium(3+)?

The IUPAC name of 5-[2-[3,5-bis[2-[6-[3-(3-phenylphenyl)benzene-6-id-1-yl]-3-pyridinyl]phenyl]cyclohexyl]phenyl]-2-[3-(3-phenylphenyl)benzene-6-id-1-yl]pyridine;iridium(3+) (CID 153439051) is 5-[2-[3,5-bis[2-[6-[3-(3-phenylphenyl)benzene-6-id-1-yl]-3-pyridinyl]phenyl]cyclohexyl]phenyl]-2-[3-(3-phenylphenyl)benzene-6-id-1-yl]pyridine;iridium(3+).

What is the SMILES notation for 5-[2-[3,5-bis[2-[6-[3-(3-phenylphenyl)benzene-6-id-1-yl]-3-pyridinyl]phenyl]cyclohexyl]phenyl]-2-[3-(3-phenylphenyl)benzene-6-id-1-yl]pyridine;iridium(3+)?

The canonical SMILES for 5-[2-[3,5-bis[2-[6-[3-(3-phenylphenyl)benzene-6-id-1-yl]-3-pyridinyl]phenyl]cyclohexyl]phenyl]-2-[3-(3-phenylphenyl)benzene-6-id-1-yl]pyridine;iridium(3+) is [Ir+3].[c-]1ccc(-c2cccc(-c3ccccc3)c2)cc1-c1ccc(-c2ccccc2C2CC(c3ccccc3-c3ccc(-c4[c-]ccc(-c5cccc(-c6ccccc6)c5)c4)nc3)CC(c3ccccc3-c3ccc(-c4[c-]ccc(-c5cccc(-c6ccccc6)c5)c4)nc3)C2)cn1.

What is the InChIKey of 5-[2-[3,5-bis[2-[6-[3-(3-phenylphenyl)benzene-6-id-1-yl]-3-pyridinyl]phenyl]cyclohexyl]phenyl]-2-[3-(3-phenylphenyl)benzene-6-id-1-yl]pyridine;iridium(3+)?

The InChIKey is LBZXFTAZAXRFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C93H66N3.Ir/c1-4-22-64(23-5-1)67-28-16-31-70(52-67)73-34-19-37-76(55-73)91-49-46-79(61-94-91)85-40-10-13-43-88(85)82-58-83(89-44-14-11-41-86(89)80-47-50-92(95-62-80)77-38-20-35-74(56-77)71-32-17-29-68(53-71)65-24-6-2-7-25-65)60-84(59-82)90-45-15-12-42-87(90)81-48-51-93(96-63-81)78-39-21-36-75(57-78)72-33-18-30-69(54-72)66-26-8-3-9-27-66;/h1-36,40-57,61-63,82-84H,58-60H2;/q-3;+3.

What are the key properties of 5-[2-[3,5-bis[2-[6-[3-(3-phenylphenyl)benzene-6-id-1-yl]-3-pyridinyl]phenyl]cyclohexyl]phenyl]-2-[3-(3-phenylphenyl)benzene-6-id-1-yl]pyridine;iridium(3+)?

5-[2-[3,5-bis[2-[6-[3-(3-phenylphenyl)benzene-6-id-1-yl]-3-pyridinyl]phenyl]cyclohexyl]phenyl]-2-[3-(3-phenylphenyl)benzene-6-id-1-yl]pyridine;iridium(3+) has a molecular weight of 1417.79 g/mol, XLogP of 24.11, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[3,5-bis[2-[6-[3-(3-phenylphenyl)benzene-6-id-1-yl]-3-pyridinyl]phenyl]cyclohexyl]phenyl]-2-[3-(3-phenylphenyl)benzene-6-id-1-yl]pyridine;iridium(3+) is sourced from PubChem (CID 153439051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).