5-[2-[3,5-bis[[3,3,4,4-tetrafluoro-1-[6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]cyclopentyl]methyl]phenyl]phenyl]-2-phenyl-4-(4-phenylphenyl)pyridine;iridium(3+)

C69H46F10IrN3 — CID 165148732

IUPAC5-[2-[3,5-bis[[3,3,4,4-tetrafluoro-1-[6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]cyclopentyl]methyl]phenyl]phenyl]-2-phenyl-4-(4-phenylphenyl)pyridine;iridium(3+)
SMILESFc1c[c-]c(-c2ccc(C3(Cc4cc(CC5(c6ccc(-c7[c-]cc(F)cc7)nc6)CC(F)(F)C(F)(F)C5)cc(-c5ccccc5-c5cnc(-c6[c-]cccc6)cc5-c5ccc(-c6ccccc6)cc5)c4)CC(F)(F)C(F)(F)C3)cn2)cc1.[Ir+3]
InChIInChI=1S/C69H46F10N3.Ir/c70-55-25-19-50(20-26-55)61-29-23-53(37-80-61)64(40-66(72,73)67(74,75)41-64)35-44-31-45(36-65(42-68(76,77)69(78,79)43-65)54-24-30-62(81-38-54)51-21-27-56(71)28-22-51)33-52(32-44)57-13-7-8-14-58(57)60-39-82-63(49-11-5-2-6-12-49)34-59(60)48-17-15-47(16-18-48)46-9-3-1-4-10-46;/h1-11,13-19,21,23-34,37-39H,35-36,40-43H2;/q-3;+3
InChIKeyMVWMWEBPRNCQGJ-UHFFFAOYSA-N
MW1299.34 g/mol
LogP18.31
Rot. Bonds13

About 5-[2-[3,5-bis[[3,3,4,4-tetrafluoro-1-[6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]cyclopentyl]methyl]phenyl]phenyl]-2-phenyl-4-(4-phenylphenyl)pyridine;iridium(3+)

5-[2-[3,5-bis[[3,3,4,4-tetrafluoro-1-[6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]cyclopentyl]methyl]phenyl]phenyl]-2-phenyl-4-(4-phenylphenyl)pyridine;iridium(3+) (PubChem CID 165148732) has the molecular formula C69H46F10IrN3 and a molecular weight of 1299.34 g/mol. Its IUPAC name is 5-[2-[3,5-bis[[3,3,4,4-tetrafluoro-1-[6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]cyclopentyl]methyl]phenyl]phenyl]-2-phenyl-4-(4-phenylphenyl)pyridine;iridium(3+).

Molecular Properties

Compound Name5-[2-[3,5-bis[[3,3,4,4-tetrafluoro-1-[6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]cyclopentyl]methyl]phenyl]phenyl]-2-phenyl-4-(4-phenylphenyl)pyridine;iridium(3+)
PubChem CID165148732
Molecular FormulaC69H46F10IrN3
Molecular Weight1299.34 g/mol
Exact Mass1299.32
IUPAC Name5-[2-[3,5-bis[[3,3,4,4-tetrafluoro-1-[6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]cyclopentyl]methyl]phenyl]phenyl]-2-phenyl-4-(4-phenylphenyl)pyridine;iridium(3+)
SMILESFc1c[c-]c(-c2ccc(C3(Cc4cc(CC5(c6ccc(-c7[c-]cc(F)cc7)nc6)CC(F)(F)C(F)(F)C5)cc(-c5ccccc5-c5cnc(-c6[c-]cccc6)cc5-c5ccc(-c6ccccc6)cc5)c4)CC(F)(F)C(F)(F)C3)cn2)cc1.[Ir+3]
InChIInChI=1S/C69H46F10N3.Ir/c70-55-25-19-50(20-26-55)61-29-23-53(37-80-61)64(40-66(72,73)67(74,75)41-64)35-44-31-45(36-65(42-68(76,77)69(78,79)43-65)54-24-30-62(81-38-54)51-21-27-56(71)28-22-51)33-52(32-44)57-13-7-8-14-58(57)60-39-82-63(49-11-5-2-6-12-49)34-59(60)48-17-15-47(16-18-48)46-9-3-1-4-10-46;/h1-11,13-19,21,23-34,37-39H,35-36,40-43H2;/q-3;+3
InChIKeyMVWMWEBPRNCQGJ-UHFFFAOYSA-N
XLogP18.31
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms83
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001299.34
LogP ≤ 518.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-[2-[3,5-bis[[3,3,4,4-tetrafluoro-1-[6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]cyclopentyl]methyl]phenyl]phenyl]-2-phenyl-4-(4-phenylphenyl)pyridine;iridium(3+) with MolForge

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Related Compounds

2,2'-(4,4'-Bis(trifluoromethyl)-[1,1'-biphenyl]-2,2'-diyl)dipyridine
CID 101422913
2-[2-[2-Pyridin-2-yl-5-(trifluoromethyl)phenyl]-4-(trifluoromethyl)phenyl]pyridine
CID 102287598
6,6'-(4'',6'-Di-tert-butyl-[1,1':3',1'':3'',1'''-quaterphenyl]-4',6''-diyl)bis(3-fluoropyridine)
CID 155908893
2-(4-(Tert-butyl)-5'-fluoro-3'-methyl-2'-(pyridin-2-yl)-[1,1'-biphenyl]-2-yl)-5-fluoropyridine
CID 155908899
2-(4,4'-Di-tert-butyl-2'-(5-fluoropyridin-2-yl)-[1,1'-biphenyl]-2-yl)-3-fluoropyridine
CID 155908900
3-(4,4'-Di-tert-butyl-2'-(5-fluoropyridin-2-yl)-[1,1'-biphenyl]-2-yl)isoquinoline
CID 155908903
2-(4-(Tert-butyl)-2'-(pyridin-2-yl)-4'-(trifluoromethyl)-[1,1'-biphenyl]-2-yl)-5-fluoropyridine
CID 155908904
2-(4,4'-Di-tert-butyl-2'-(5-(trifluoromethyl)pyridin-2-yl)-[1,1'-biphenyl]-2-yl)-3-fluoro-4-methylpyridine
CID 155908906
6,6'-(4,4'-Di-tert-butyl-[1,1'-biphenyl]-2,2'-diyl)bis(3-(trifluoromethyl)pyridine)
CID 155908913
2-(4-(Tert-butyl)-2-(5-fluoropyridin-2-yl)-[1,1':4',1''-terphenyl]-2'-yl)-3-methylpyridine
CID 155908918
6,6'-(4,4'-Di-tert-butyl-[1,1'-biphenyl]-2,2'-diyl)bis(3-fluoropyridine)
CID 155908921
2-(4,4'-Di-tert-butyl-2'-(3,5-difluoropyridin-2-yl)-[1,1'-biphenyl]-2-yl)-3-fluoro-4-methylpyridine
CID 155908922

Frequently Asked Questions

What is the IUPAC name of 5-[2-[3,5-bis[[3,3,4,4-tetrafluoro-1-[6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]cyclopentyl]methyl]phenyl]phenyl]-2-phenyl-4-(4-phenylphenyl)pyridine;iridium(3+)?
The IUPAC name of 5-[2-[3,5-bis[[3,3,4,4-tetrafluoro-1-[6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]cyclopentyl]methyl]phenyl]phenyl]-2-phenyl-4-(4-phenylphenyl)pyridine;iridium(3+) (CID 165148732) is 5-[2-[3,5-bis[[3,3,4,4-tetrafluoro-1-[6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]cyclopentyl]methyl]phenyl]phenyl]-2-phenyl-4-(4-phenylphenyl)pyridine;iridium(3+).
What is the SMILES notation for 5-[2-[3,5-bis[[3,3,4,4-tetrafluoro-1-[6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]cyclopentyl]methyl]phenyl]phenyl]-2-phenyl-4-(4-phenylphenyl)pyridine;iridium(3+)?
The canonical SMILES for 5-[2-[3,5-bis[[3,3,4,4-tetrafluoro-1-[6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]cyclopentyl]methyl]phenyl]phenyl]-2-phenyl-4-(4-phenylphenyl)pyridine;iridium(3+) is Fc1c[c-]c(-c2ccc(C3(Cc4cc(CC5(c6ccc(-c7[c-]cc(F)cc7)nc6)CC(F)(F)C(F)(F)C5)cc(-c5ccccc5-c5cnc(-c6[c-]cccc6)cc5-c5ccc(-c6ccccc6)cc5)c4)CC(F)(F)C(F)(F)C3)cn2)cc1.[Ir+3].
What is the InChIKey of 5-[2-[3,5-bis[[3,3,4,4-tetrafluoro-1-[6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]cyclopentyl]methyl]phenyl]phenyl]-2-phenyl-4-(4-phenylphenyl)pyridine;iridium(3+)?
The InChIKey is MVWMWEBPRNCQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H46F10N3.Ir/c70-55-25-19-50(20-26-55)61-29-23-53(37-80-61)64(40-66(72,73)67(74,75)41-64)35-44-31-45(36-65(42-68(76,77)69(78,79)43-65)54-24-30-62(81-38-54)51-21-27-56(71)28-22-51)33-52(32-44)57-13-7-8-14-58(57)60-39-82-63(49-11-5-2-6-12-49)34-59(60)48-17-15-47(16-18-48)46-9-3-1-4-10-46;/h1-11,13-19,21,23-34,37-39H,35-36,40-43H2;/q-3;+3.
What are the key properties of 5-[2-[3,5-bis[[3,3,4,4-tetrafluoro-1-[6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]cyclopentyl]methyl]phenyl]phenyl]-2-phenyl-4-(4-phenylphenyl)pyridine;iridium(3+)?
5-[2-[3,5-bis[[3,3,4,4-tetrafluoro-1-[6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]cyclopentyl]methyl]phenyl]phenyl]-2-phenyl-4-(4-phenylphenyl)pyridine;iridium(3+) has a molecular weight of 1299.34 g/mol, XLogP of 18.31, 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[[3,3,4,4-tetrafluoro-1-[6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]cyclopentyl]methyl]phenyl]phenyl]-2-phenyl-4-(4-phenylphenyl)pyridine;iridium(3+) is sourced from PubChem (CID 165148732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).