5-[2-[3,5-bis[2-[6-(5,5,8,8-tetrafluoro-6,7-dihydro-3H-naphthalen-3-id-2-yl)-3-pyridinyl]ethyl]phenyl]phenyl]-2-phenyl-4-(4-phenylphenyl)pyridine;iridium(3+)

C69H48F8IrN3 — CID 165148245

About 5-[2-[3,5-bis[2-[6-(5,5,8,8-tetrafluoro-6,7-dihydro-3H-naphthalen-3-id-2-yl)-3-pyridinyl]ethyl]phenyl]phenyl]-2-phenyl-4-(4-phenylphenyl)pyridine;iridium(3+)

5-[2-[3,5-bis[2-[6-(5,5,8,8-tetrafluoro-6,7-dihydro-3H-naphthalen-3-id-2-yl)-3-pyridinyl]ethyl]phenyl]phenyl]-2-phenyl-4-(4-phenylphenyl)pyridine;iridium(3+) (PubChem CID 165148245) has the molecular formula C69H48F8IrN3 and a molecular weight of 1263.36 g/mol. Its IUPAC name is 5-[2-[3,5-bis[2-[6-(5,5,8,8-tetrafluoro-6,7-dihydro-3H-naphthalen-3-id-2-yl)-3-pyridinyl]ethyl]phenyl]phenyl]-2-phenyl-4-(4-phenylphenyl)pyridine;iridium(3+).

Molecular Properties

• Compound Name: 5-[2-[3,5-bis[2-[6-(5,5,8,8-tetrafluoro-6,7-dihydro-3H-naphthalen-3-id-2-yl)-3-pyridinyl]ethyl]phenyl]phenyl]-2-phenyl-4-(4-phenylphenyl)pyridine;iridium(3+)
• PubChem CID: 165148245
• Molecular Formula: C69H48F8IrN3
• Molecular Weight: 1263.36 g/mol
• Exact Mass: 1263.33
• IUPAC Name: 5-[2-[3,5-bis[2-[6-(5,5,8,8-tetrafluoro-6,7-dihydro-3H-naphthalen-3-id-2-yl)-3-pyridinyl]ethyl]phenyl]phenyl]-2-phenyl-4-(4-phenylphenyl)pyridine;iridium(3+)
• SMILES: FC1(F)CCC(F)(F)c2cc(-c3ccc(CCc4cc(CCc5ccc(-c6[c-]cc7c(c6)C(F)(F)CCC7(F)F)nc5)cc(-c5ccccc5-c5cnc(-c6[c-]cccc6)cc5-c5ccc(-c6ccccc6)cc5)c4)cn3)[c-]cc21.[Ir+3]
• InChI: InChI=1S/C69H48F8N3.Ir/c70-66(71)31-33-68(74,75)61-38-52(25-27-59(61)66)63-29-19-44(41-78-63)15-17-46-35-47(18-16-45-20-30-64(79-42-45)53-26-28-60-62(39-53)69(76,77)34-32-67(60,72)73)37-54(36-46)55-13-7-8-14-56(55)58-43-80-65(51-11-5-2-6-12-51)40-57(58)50-23-21-49(22-24-50)48-9-3-1-4-10-48;/h1-11,13-14,19-24,27-30,35-43H,15-18,31-34H2;/q-3;+3
• InChIKey: VHYNKFWYLXVDNR-UHFFFAOYSA-N
• XLogP: 18.46
• TPSA: 38.67 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 13
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1263.36
LogP ≤ 5	18.46
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-(5,5,8,8-tetrafluoro-6,7-dihydro-3H-naphthalen-3-id-2-yl)-3-pyridinyl]ethyl]phenyl]phenyl]-2-phenyl-4-(4-phenylphenyl)pyridine;iridium(3+)?

The IUPAC name of 5-[2-[3,5-bis[2-[6-(5,5,8,8-tetrafluoro-6,7-dihydro-3H-naphthalen-3-id-2-yl)-3-pyridinyl]ethyl]phenyl]phenyl]-2-phenyl-4-(4-phenylphenyl)pyridine;iridium(3+) (CID 165148245) is 5-[2-[3,5-bis[2-[6-(5,5,8,8-tetrafluoro-6,7-dihydro-3H-naphthalen-3-id-2-yl)-3-pyridinyl]ethyl]phenyl]phenyl]-2-phenyl-4-(4-phenylphenyl)pyridine;iridium(3+).

What is the SMILES notation for 5-[2-[3,5-bis[2-[6-(5,5,8,8-tetrafluoro-6,7-dihydro-3H-naphthalen-3-id-2-yl)-3-pyridinyl]ethyl]phenyl]phenyl]-2-phenyl-4-(4-phenylphenyl)pyridine;iridium(3+)?

The canonical SMILES for 5-[2-[3,5-bis[2-[6-(5,5,8,8-tetrafluoro-6,7-dihydro-3H-naphthalen-3-id-2-yl)-3-pyridinyl]ethyl]phenyl]phenyl]-2-phenyl-4-(4-phenylphenyl)pyridine;iridium(3+) is FC1(F)CCC(F)(F)c2cc(-c3ccc(CCc4cc(CCc5ccc(-c6[c-]cc7c(c6)C(F)(F)CCC7(F)F)nc5)cc(-c5ccccc5-c5cnc(-c6[c-]cccc6)cc5-c5ccc(-c6ccccc6)cc5)c4)cn3)[c-]cc21.[Ir+3].

What is the InChIKey of 5-[2-[3,5-bis[2-[6-(5,5,8,8-tetrafluoro-6,7-dihydro-3H-naphthalen-3-id-2-yl)-3-pyridinyl]ethyl]phenyl]phenyl]-2-phenyl-4-(4-phenylphenyl)pyridine;iridium(3+)?

The InChIKey is VHYNKFWYLXVDNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H48F8N3.Ir/c70-66(71)31-33-68(74,75)61-38-52(25-27-59(61)66)63-29-19-44(41-78-63)15-17-46-35-47(18-16-45-20-30-64(79-42-45)53-26-28-60-62(39-53)69(76,77)34-32-67(60,72)73)37-54(36-46)55-13-7-8-14-56(55)58-43-80-65(51-11-5-2-6-12-51)40-57(58)50-23-21-49(22-24-50)48-9-3-1-4-10-48;/h1-11,13-14,19-24,27-30,35-43H,15-18,31-34H2;/q-3;+3.

What are the key properties of 5-[2-[3,5-bis[2-[6-(5,5,8,8-tetrafluoro-6,7-dihydro-3H-naphthalen-3-id-2-yl)-3-pyridinyl]ethyl]phenyl]phenyl]-2-phenyl-4-(4-phenylphenyl)pyridine;iridium(3+)?

5-[2-[3,5-bis[2-[6-(5,5,8,8-tetrafluoro-6,7-dihydro-3H-naphthalen-3-id-2-yl)-3-pyridinyl]ethyl]phenyl]phenyl]-2-phenyl-4-(4-phenylphenyl)pyridine;iridium(3+) has a molecular weight of 1263.36 g/mol, XLogP of 18.46, 13 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-(5,5,8,8-tetrafluoro-6,7-dihydro-3H-naphthalen-3-id-2-yl)-3-pyridinyl]ethyl]phenyl]phenyl]-2-phenyl-4-(4-phenylphenyl)pyridine;iridium(3+) is sourced from PubChem (CID 165148245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).