3-[4-[2-[3,5-bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)ethyl]phenyl]-4-fluorophenyl]-3-(4-phenylphenyl)benzene-6-id-1-yl]-5-phenylpyrido[4,3-b]indole;iridium(3+)

C73H50FIrN4 — CID 165148907

About 3-[4-[2-[3,5-bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)ethyl]phenyl]-4-fluorophenyl]-3-(4-phenylphenyl)benzene-6-id-1-yl]-5-phenylpyrido[4,3-b]indole;iridium(3+)

3-[4-[2-[3,5-bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)ethyl]phenyl]-4-fluorophenyl]-3-(4-phenylphenyl)benzene-6-id-1-yl]-5-phenylpyrido[4,3-b]indole;iridium(3+) (PubChem CID 165148907) has the molecular formula C73H50FIrN4 and a molecular weight of 1194.45 g/mol. Its IUPAC name is 3-[4-[2-[3,5-bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)ethyl]phenyl]-4-fluorophenyl]-3-(4-phenylphenyl)benzene-6-id-1-yl]-5-phenylpyrido[4,3-b]indole;iridium(3+).

Molecular Properties

• Compound Name: 3-[4-[2-[3,5-bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)ethyl]phenyl]-4-fluorophenyl]-3-(4-phenylphenyl)benzene-6-id-1-yl]-5-phenylpyrido[4,3-b]indole;iridium(3+)
• PubChem CID: 165148907
• Molecular Formula: C73H50FIrN4
• Molecular Weight: 1194.45 g/mol
• Exact Mass: 1194.36
• IUPAC Name: 3-[4-[2-[3,5-bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)ethyl]phenyl]-4-fluorophenyl]-3-(4-phenylphenyl)benzene-6-id-1-yl]-5-phenylpyrido[4,3-b]indole;iridium(3+)
• SMILES: Fc1ccc(-c2c[c-]c(-c3cc4c(cn3)c3ccccc3n4-c3ccccc3)cc2-c2ccc(-c3ccccc3)cc2)c(-c2cc(CCc3c[c-]c(-c4ccccn4)cc3)cc(CCc3c[c-]c(-c4ccccn4)cc3)c2)c1.[Ir+3]
• InChI: InChI=1S/C73H50FN4.Ir/c74-61-38-40-64(67(47-61)60-44-52(23-21-50-25-29-57(30-26-50)69-18-9-11-41-75-69)43-53(45-60)24-22-51-27-31-58(32-28-51)70-19-10-12-42-76-70)63-39-37-59(46-66(63)56-35-33-55(34-36-56)54-13-3-1-4-14-54)71-48-73-68(49-77-71)65-17-7-8-20-72(65)78(73)62-15-5-2-6-16-62;/h1-20,25-29,31,33-36,38-49H,21-24H2;/q-3;+3
• InChIKey: BTBTXEYOMYPHRL-UHFFFAOYSA-N
• XLogP: 17.75
• TPSA: 43.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 14
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1194.45
LogP ≤ 5	17.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-[3,5-bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)ethyl]phenyl]-4-fluorophenyl]-3-(4-phenylphenyl)benzene-6-id-1-yl]-5-phenylpyrido[4,3-b]indole;iridium(3+)?

The IUPAC name of 3-[4-[2-[3,5-bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)ethyl]phenyl]-4-fluorophenyl]-3-(4-phenylphenyl)benzene-6-id-1-yl]-5-phenylpyrido[4,3-b]indole;iridium(3+) (CID 165148907) is 3-[4-[2-[3,5-bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)ethyl]phenyl]-4-fluorophenyl]-3-(4-phenylphenyl)benzene-6-id-1-yl]-5-phenylpyrido[4,3-b]indole;iridium(3+).

What is the SMILES notation for 3-[4-[2-[3,5-bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)ethyl]phenyl]-4-fluorophenyl]-3-(4-phenylphenyl)benzene-6-id-1-yl]-5-phenylpyrido[4,3-b]indole;iridium(3+)?

The canonical SMILES for 3-[4-[2-[3,5-bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)ethyl]phenyl]-4-fluorophenyl]-3-(4-phenylphenyl)benzene-6-id-1-yl]-5-phenylpyrido[4,3-b]indole;iridium(3+) is Fc1ccc(-c2c[c-]c(-c3cc4c(cn3)c3ccccc3n4-c3ccccc3)cc2-c2ccc(-c3ccccc3)cc2)c(-c2cc(CCc3c[c-]c(-c4ccccn4)cc3)cc(CCc3c[c-]c(-c4ccccn4)cc3)c2)c1.[Ir+3].

What is the InChIKey of 3-[4-[2-[3,5-bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)ethyl]phenyl]-4-fluorophenyl]-3-(4-phenylphenyl)benzene-6-id-1-yl]-5-phenylpyrido[4,3-b]indole;iridium(3+)?

The InChIKey is BTBTXEYOMYPHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H50FN4.Ir/c74-61-38-40-64(67(47-61)60-44-52(23-21-50-25-29-57(30-26-50)69-18-9-11-41-75-69)43-53(45-60)24-22-51-27-31-58(32-28-51)70-19-10-12-42-76-70)63-39-37-59(46-66(63)56-35-33-55(34-36-56)54-13-3-1-4-14-54)71-48-73-68(49-77-71)65-17-7-8-20-72(65)78(73)62-15-5-2-6-16-62;/h1-20,25-29,31,33-36,38-49H,21-24H2;/q-3;+3.

What are the key properties of 3-[4-[2-[3,5-bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)ethyl]phenyl]-4-fluorophenyl]-3-(4-phenylphenyl)benzene-6-id-1-yl]-5-phenylpyrido[4,3-b]indole;iridium(3+)?

3-[4-[2-[3,5-bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)ethyl]phenyl]-4-fluorophenyl]-3-(4-phenylphenyl)benzene-6-id-1-yl]-5-phenylpyrido[4,3-b]indole;iridium(3+) has a molecular weight of 1194.45 g/mol, XLogP of 17.75, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[2-[3,5-bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)ethyl]phenyl]-4-fluorophenyl]-3-(4-phenylphenyl)benzene-6-id-1-yl]-5-phenylpyrido[4,3-b]indole;iridium(3+) is sourced from PubChem (CID 165148907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).