2-[5-[2-[3-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-3-pyridinyl]phenyl]-5-methylphenyl]phenyl]-2-phenyl-4-pyridinyl]-9-phenylcarbazole;9-[4-[5-[2-[3-[2-[4-fluoro-6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]phenyl]-5-methylphenyl]phenyl]-2-phenyl-4-pyridinyl]phenyl]carbazole;bis(iridium)

C118H74F4Ir2N6-4 — CID 157380079

IUPAC2-[5-[2-[3-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-3-pyridinyl]phenyl]-5-methylphenyl]phenyl]-2-phenyl-4-pyridinyl]-9-phenylcarbazole;9-[4-[5-[2-[3-[2-[4-fluoro-6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]phenyl]-5-methylphenyl]phenyl]-2-phenyl-4-pyridinyl]phenyl]carbazole;bis(iridium)
SMILESCc1cc(-c2ccccc2-c2ccc(-c3[c-]cc(F)cc3F)nc2)cc(-c2ccccc2-c2cnc(-c3[c-]cccc3)cc2-c2ccc3c4ccccc4n(-c4ccccc4)c3c2)c1.Cc1cc(-c2ccccc2-c2cnc(-c3[c-]cc(F)cc3)cc2F)cc(-c2ccccc2-c2cnc(-c3[c-]cccc3)cc2-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c1.[Ir].[Ir]
InChIInChI=1S/2C59H37F2N3.2Ir/c1-38-30-42(47-19-9-8-18-46(47)41-25-29-56(62-36-41)52-28-26-44(60)34-55(52)61)32-43(31-38)48-20-10-11-21-49(48)54-37-63-57(39-14-4-2-5-15-39)35-53(54)40-24-27-51-50-22-12-13-23-58(50)64(59(51)33-40)45-16-6-3-7-17-45;1-38-31-42(33-43(32-38)47-16-6-8-18-49(47)54-37-63-57(35-55(54)61)41-23-27-44(60)28-24-41)46-15-5-7-17-48(46)53-36-62-56(40-13-3-2-4-14-40)34-52(53)39-25-29-45(30-26-39)64-58-21-11-9-19-50(58)51-20-10-12-22-59(51)64;;/h2-14,16-27,29-37H,1H3;2-13,15-23,25-37H,1H3;;/q2*-2;;
InChIKeyRAISRIYGYZGHGZ-UHFFFAOYSA-N
MW2036.36 g/mol
LogP30.85
Rot. Bonds16

About 2-[5-[2-[3-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-3-pyridinyl]phenyl]-5-methylphenyl]phenyl]-2-phenyl-4-pyridinyl]-9-phenylcarbazole;9-[4-[5-[2-[3-[2-[4-fluoro-6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]phenyl]-5-methylphenyl]phenyl]-2-phenyl-4-pyridinyl]phenyl]carbazole;bis(iridium)

2-[5-[2-[3-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-3-pyridinyl]phenyl]-5-methylphenyl]phenyl]-2-phenyl-4-pyridinyl]-9-phenylcarbazole;9-[4-[5-[2-[3-[2-[4-fluoro-6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]phenyl]-5-methylphenyl]phenyl]-2-phenyl-4-pyridinyl]phenyl]carbazole;bis(iridium) (PubChem CID 157380079) has the molecular formula C118H74F4Ir2N6-4 and a molecular weight of 2036.36 g/mol. Its IUPAC name is 2-[5-[2-[3-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-3-pyridinyl]phenyl]-5-methylphenyl]phenyl]-2-phenyl-4-pyridinyl]-9-phenylcarbazole;9-[4-[5-[2-[3-[2-[4-fluoro-6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]phenyl]-5-methylphenyl]phenyl]-2-phenyl-4-pyridinyl]phenyl]carbazole;bis(iridium).

Molecular Properties

Compound Name2-[5-[2-[3-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-3-pyridinyl]phenyl]-5-methylphenyl]phenyl]-2-phenyl-4-pyridinyl]-9-phenylcarbazole;9-[4-[5-[2-[3-[2-[4-fluoro-6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]phenyl]-5-methylphenyl]phenyl]-2-phenyl-4-pyridinyl]phenyl]carbazole;bis(iridium)
PubChem CID157380079
Molecular FormulaC118H74F4Ir2N6-4
Molecular Weight2036.36 g/mol
Exact Mass2036.52
IUPAC Name2-[5-[2-[3-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-3-pyridinyl]phenyl]-5-methylphenyl]phenyl]-2-phenyl-4-pyridinyl]-9-phenylcarbazole;9-[4-[5-[2-[3-[2-[4-fluoro-6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]phenyl]-5-methylphenyl]phenyl]-2-phenyl-4-pyridinyl]phenyl]carbazole;bis(iridium)
SMILESCc1cc(-c2ccccc2-c2ccc(-c3[c-]cc(F)cc3F)nc2)cc(-c2ccccc2-c2cnc(-c3[c-]cccc3)cc2-c2ccc3c4ccccc4n(-c4ccccc4)c3c2)c1.Cc1cc(-c2ccccc2-c2cnc(-c3[c-]cc(F)cc3)cc2F)cc(-c2ccccc2-c2cnc(-c3[c-]cccc3)cc2-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c1.[Ir].[Ir]
InChIInChI=1S/2C59H37F2N3.2Ir/c1-38-30-42(47-19-9-8-18-46(47)41-25-29-56(62-36-41)52-28-26-44(60)34-55(52)61)32-43(31-38)48-20-10-11-21-49(48)54-37-63-57(39-14-4-2-5-15-39)35-53(54)40-24-27-51-50-22-12-13-23-58(50)64(59(51)33-40)45-16-6-3-7-17-45;1-38-31-42(33-43(32-38)47-16-6-8-18-49(47)54-37-63-57(35-55(54)61)41-23-27-44(60)28-24-41)46-15-5-7-17-48(46)53-36-62-56(40-13-3-2-4-14-40)34-52(53)39-25-29-45(30-26-39)64-58-21-11-9-19-50(58)51-20-10-12-22-59(51)64;;/h2-14,16-27,29-37H,1H3;2-13,15-23,25-37H,1H3;;/q2*-2;;
InChIKeyRAISRIYGYZGHGZ-UHFFFAOYSA-N
XLogP30.85
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms130
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002036.36
LogP ≤ 530.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[5-[2-[3-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-3-pyridinyl]phenyl]-5-methylphenyl]phenyl]-2-phenyl-4-pyridinyl]-9-phenylcarbazole;9-[4-[5-[2-[3-[2-[4-fluoro-6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]phenyl]-5-methylphenyl]phenyl]-2-phenyl-4-pyridinyl]phenyl]carbazole;bis(iridium) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-[3-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-3-pyridinyl]phenyl]-5-methylphenyl]phenyl]-2-phenyl-4-pyridinyl]-9-phenylcarbazole;9-[4-[5-[2-[3-[2-[4-fluoro-6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]phenyl]-5-methylphenyl]phenyl]-2-phenyl-4-pyridinyl]phenyl]carbazole;bis(iridium)?
The IUPAC name of 2-[5-[2-[3-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-3-pyridinyl]phenyl]-5-methylphenyl]phenyl]-2-phenyl-4-pyridinyl]-9-phenylcarbazole;9-[4-[5-[2-[3-[2-[4-fluoro-6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]phenyl]-5-methylphenyl]phenyl]-2-phenyl-4-pyridinyl]phenyl]carbazole;bis(iridium) (CID 157380079) is 2-[5-[2-[3-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-3-pyridinyl]phenyl]-5-methylphenyl]phenyl]-2-phenyl-4-pyridinyl]-9-phenylcarbazole;9-[4-[5-[2-[3-[2-[4-fluoro-6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]phenyl]-5-methylphenyl]phenyl]-2-phenyl-4-pyridinyl]phenyl]carbazole;bis(iridium).
What is the SMILES notation for 2-[5-[2-[3-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-3-pyridinyl]phenyl]-5-methylphenyl]phenyl]-2-phenyl-4-pyridinyl]-9-phenylcarbazole;9-[4-[5-[2-[3-[2-[4-fluoro-6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]phenyl]-5-methylphenyl]phenyl]-2-phenyl-4-pyridinyl]phenyl]carbazole;bis(iridium)?
The canonical SMILES for 2-[5-[2-[3-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-3-pyridinyl]phenyl]-5-methylphenyl]phenyl]-2-phenyl-4-pyridinyl]-9-phenylcarbazole;9-[4-[5-[2-[3-[2-[4-fluoro-6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]phenyl]-5-methylphenyl]phenyl]-2-phenyl-4-pyridinyl]phenyl]carbazole;bis(iridium) is Cc1cc(-c2ccccc2-c2ccc(-c3[c-]cc(F)cc3F)nc2)cc(-c2ccccc2-c2cnc(-c3[c-]cccc3)cc2-c2ccc3c4ccccc4n(-c4ccccc4)c3c2)c1.Cc1cc(-c2ccccc2-c2cnc(-c3[c-]cc(F)cc3)cc2F)cc(-c2ccccc2-c2cnc(-c3[c-]cccc3)cc2-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c1.[Ir].[Ir].
What is the InChIKey of 2-[5-[2-[3-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-3-pyridinyl]phenyl]-5-methylphenyl]phenyl]-2-phenyl-4-pyridinyl]-9-phenylcarbazole;9-[4-[5-[2-[3-[2-[4-fluoro-6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]phenyl]-5-methylphenyl]phenyl]-2-phenyl-4-pyridinyl]phenyl]carbazole;bis(iridium)?
The InChIKey is RAISRIYGYZGHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C59H37F2N3.2Ir/c1-38-30-42(47-19-9-8-18-46(47)41-25-29-56(62-36-41)52-28-26-44(60)34-55(52)61)32-43(31-38)48-20-10-11-21-49(48)54-37-63-57(39-14-4-2-5-15-39)35-53(54)40-24-27-51-50-22-12-13-23-58(50)64(59(51)33-40)45-16-6-3-7-17-45;1-38-31-42(33-43(32-38)47-16-6-8-18-49(47)54-37-63-57(35-55(54)61)41-23-27-44(60)28-24-41)46-15-5-7-17-48(46)53-36-62-56(40-13-3-2-4-14-40)34-52(53)39-25-29-45(30-26-39)64-58-21-11-9-19-50(58)51-20-10-12-22-59(51)64;;/h2-14,16-27,29-37H,1H3;2-13,15-23,25-37H,1H3;;/q2*-2;;.
What are the key properties of 2-[5-[2-[3-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-3-pyridinyl]phenyl]-5-methylphenyl]phenyl]-2-phenyl-4-pyridinyl]-9-phenylcarbazole;9-[4-[5-[2-[3-[2-[4-fluoro-6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]phenyl]-5-methylphenyl]phenyl]-2-phenyl-4-pyridinyl]phenyl]carbazole;bis(iridium)?
2-[5-[2-[3-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-3-pyridinyl]phenyl]-5-methylphenyl]phenyl]-2-phenyl-4-pyridinyl]-9-phenylcarbazole;9-[4-[5-[2-[3-[2-[4-fluoro-6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]phenyl]-5-methylphenyl]phenyl]-2-phenyl-4-pyridinyl]phenyl]carbazole;bis(iridium) has a molecular weight of 2036.36 g/mol, XLogP of 30.85, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-[3-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-3-pyridinyl]phenyl]-5-methylphenyl]phenyl]-2-phenyl-4-pyridinyl]-9-phenylcarbazole;9-[4-[5-[2-[3-[2-[4-fluoro-6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]phenyl]-5-methylphenyl]phenyl]-2-phenyl-4-pyridinyl]phenyl]carbazole;bis(iridium) is sourced from PubChem (CID 157380079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).