2,4-bis(4-tert-butylphenyl)-6-[6-[4-(4-fluorophenyl)benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;2,4-bis(4-tert-butylphenyl)-6-[6-[4-[4-(trifluoromethyl)phenyl]benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;bis(iridium(3+));tetrakis(2-phenylpyridine)

C125H104F4Ir2N12 — CID 161109540

IUPAC2,4-bis(4-tert-butylphenyl)-6-[6-[4-(4-fluorophenyl)benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;2,4-bis(4-tert-butylphenyl)-6-[6-[4-[4-(trifluoromethyl)phenyl]benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;bis(iridium(3+));tetrakis(2-phenylpyridine)
SMILESCC(C)(C)c1ccc(-c2nc(-c3ccc(C(C)(C)C)cc3)nc(-c3ccc(-c4[c-]cc(-c5ccc(C(F)(F)F)cc5)cc4)nc3)n2)cc1.CC(C)(C)c1ccc(-c2nc(-c3ccc(C(C)(C)C)cc3)nc(-c3ccc(-c4[c-]cc(-c5ccc(F)cc5)cc4)nc3)n2)cc1.[Ir+3].[Ir+3].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C41H36F3N4.C40H36FN4.4C11H8N.2Ir/c1-39(2,3)32-18-13-29(14-19-32)36-46-37(30-15-20-33(21-16-30)40(4,5)6)48-38(47-36)31-17-24-35(45-25-31)28-9-7-26(8-10-28)27-11-22-34(23-12-27)41(42,43)44;1-39(2,3)32-18-11-29(12-19-32)36-43-37(30-13-20-33(21-14-30)40(4,5)6)45-38(44-36)31-17-24-35(42-25-31)28-9-7-26(8-10-28)27-15-22-34(41)23-16-27;4*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;/h7-9,11-25H,1-6H3;7-9,11-25H,1-6H3;4*1-6,8-9H;;/q6*-1;2*+3
InChIKeyRTFROVDFBIDKOL-UHFFFAOYSA-N
MW2234.72 g/mol
LogP31.34
Rot. Bonds14

About 2,4-bis(4-tert-butylphenyl)-6-[6-[4-(4-fluorophenyl)benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;2,4-bis(4-tert-butylphenyl)-6-[6-[4-[4-(trifluoromethyl)phenyl]benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;bis(iridium(3+));tetrakis(2-phenylpyridine)

2,4-bis(4-tert-butylphenyl)-6-[6-[4-(4-fluorophenyl)benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;2,4-bis(4-tert-butylphenyl)-6-[6-[4-[4-(trifluoromethyl)phenyl]benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;bis(iridium(3+));tetrakis(2-phenylpyridine) (PubChem CID 161109540) has the molecular formula C125H104F4Ir2N12 and a molecular weight of 2234.72 g/mol. Its IUPAC name is 2,4-bis(4-tert-butylphenyl)-6-[6-[4-(4-fluorophenyl)benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;2,4-bis(4-tert-butylphenyl)-6-[6-[4-[4-(trifluoromethyl)phenyl]benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;bis(iridium(3+));tetrakis(2-phenylpyridine).

Molecular Properties

Compound Name2,4-bis(4-tert-butylphenyl)-6-[6-[4-(4-fluorophenyl)benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;2,4-bis(4-tert-butylphenyl)-6-[6-[4-[4-(trifluoromethyl)phenyl]benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;bis(iridium(3+));tetrakis(2-phenylpyridine)
PubChem CID161109540
Molecular FormulaC125H104F4Ir2N12
Molecular Weight2234.72 g/mol
Exact Mass2234.77
IUPAC Name2,4-bis(4-tert-butylphenyl)-6-[6-[4-(4-fluorophenyl)benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;2,4-bis(4-tert-butylphenyl)-6-[6-[4-[4-(trifluoromethyl)phenyl]benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;bis(iridium(3+));tetrakis(2-phenylpyridine)
SMILESCC(C)(C)c1ccc(-c2nc(-c3ccc(C(C)(C)C)cc3)nc(-c3ccc(-c4[c-]cc(-c5ccc(C(F)(F)F)cc5)cc4)nc3)n2)cc1.CC(C)(C)c1ccc(-c2nc(-c3ccc(C(C)(C)C)cc3)nc(-c3ccc(-c4[c-]cc(-c5ccc(F)cc5)cc4)nc3)n2)cc1.[Ir+3].[Ir+3].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C41H36F3N4.C40H36FN4.4C11H8N.2Ir/c1-39(2,3)32-18-13-29(14-19-32)36-46-37(30-15-20-33(21-16-30)40(4,5)6)48-38(47-36)31-17-24-35(45-25-31)28-9-7-26(8-10-28)27-11-22-34(23-12-27)41(42,43)44;1-39(2,3)32-18-11-29(12-19-32)36-43-37(30-13-20-33(21-14-30)40(4,5)6)45-38(44-36)31-17-24-35(42-25-31)28-9-7-26(8-10-28)27-15-22-34(41)23-16-27;4*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;/h7-9,11-25H,1-6H3;7-9,11-25H,1-6H3;4*1-6,8-9H;;/q6*-1;2*+3
InChIKeyRTFROVDFBIDKOL-UHFFFAOYSA-N
XLogP31.34
TPSA154.68 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds14
Heavy Atoms143
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002234.72
LogP ≤ 531.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 2,4-bis(4-tert-butylphenyl)-6-[6-[4-(4-fluorophenyl)benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;2,4-bis(4-tert-butylphenyl)-6-[6-[4-[4-(trifluoromethyl)phenyl]benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;bis(iridium(3+));tetrakis(2-phenylpyridine) with MolForge

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Related Compounds

B3PyMPM
CID 58556437
4,6-Bis(3,5-di(pyridin-4-yl)phenyl)-2-methylpyrimidine
CID 67967165
4,6-Bis(3,5-di(pyridin-4-yl)phenyl)-2-phenylpyrimidine
CID 89441393
2-Phenyl-4,6-bis(3,5-dipyridylphenyl)pyrimidine
CID 101791711
2,4-Bis(3,5-di-4-pyridinylphenyl)-6-phenyl-1,3,5-triazine
CID 102220863
4,6-Bis(3,5-di(pyridin-3-yl)phenyl)-2-(pyridin-3-yl)pyrimidine
CID 102345540
2,4,6-Tris(3'-(pyridin-3-yl)-[1,1'-biphenyl]-3-yl)-1,3,5-triazine
CID 117829609
2,4,6-Tris(3'-(pyridin-2yl)biphenyl-3-yl)-1,3,5-triazine
CID 129849643
4,5-Dipyridin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine
CID 3434059
5-Pyridin-4-yl-4-[4-(trifluoromethyl)phenyl]-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine
CID 3608406
5-Pyrimidin-4-yl-2,4-bis[6-(trifluoromethyl)-3-pyridinyl]pyrimidine
CID 4348217
5-Pyridin-4-yl-2,4-bis[6-(trifluoromethyl)-3-pyridinyl]pyrimidine
CID 5051963

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(4-tert-butylphenyl)-6-[6-[4-(4-fluorophenyl)benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;2,4-bis(4-tert-butylphenyl)-6-[6-[4-[4-(trifluoromethyl)phenyl]benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;bis(iridium(3+));tetrakis(2-phenylpyridine)?
The IUPAC name of 2,4-bis(4-tert-butylphenyl)-6-[6-[4-(4-fluorophenyl)benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;2,4-bis(4-tert-butylphenyl)-6-[6-[4-[4-(trifluoromethyl)phenyl]benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;bis(iridium(3+));tetrakis(2-phenylpyridine) (CID 161109540) is 2,4-bis(4-tert-butylphenyl)-6-[6-[4-(4-fluorophenyl)benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;2,4-bis(4-tert-butylphenyl)-6-[6-[4-[4-(trifluoromethyl)phenyl]benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;bis(iridium(3+));tetrakis(2-phenylpyridine).
What is the SMILES notation for 2,4-bis(4-tert-butylphenyl)-6-[6-[4-(4-fluorophenyl)benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;2,4-bis(4-tert-butylphenyl)-6-[6-[4-[4-(trifluoromethyl)phenyl]benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;bis(iridium(3+));tetrakis(2-phenylpyridine)?
The canonical SMILES for 2,4-bis(4-tert-butylphenyl)-6-[6-[4-(4-fluorophenyl)benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;2,4-bis(4-tert-butylphenyl)-6-[6-[4-[4-(trifluoromethyl)phenyl]benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;bis(iridium(3+));tetrakis(2-phenylpyridine) is CC(C)(C)c1ccc(-c2nc(-c3ccc(C(C)(C)C)cc3)nc(-c3ccc(-c4[c-]cc(-c5ccc(C(F)(F)F)cc5)cc4)nc3)n2)cc1.CC(C)(C)c1ccc(-c2nc(-c3ccc(C(C)(C)C)cc3)nc(-c3ccc(-c4[c-]cc(-c5ccc(F)cc5)cc4)nc3)n2)cc1.[Ir+3].[Ir+3].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.
What is the InChIKey of 2,4-bis(4-tert-butylphenyl)-6-[6-[4-(4-fluorophenyl)benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;2,4-bis(4-tert-butylphenyl)-6-[6-[4-[4-(trifluoromethyl)phenyl]benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;bis(iridium(3+));tetrakis(2-phenylpyridine)?
The InChIKey is RTFROVDFBIDKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H36F3N4.C40H36FN4.4C11H8N.2Ir/c1-39(2,3)32-18-13-29(14-19-32)36-46-37(30-15-20-33(21-16-30)40(4,5)6)48-38(47-36)31-17-24-35(45-25-31)28-9-7-26(8-10-28)27-11-22-34(23-12-27)41(42,43)44;1-39(2,3)32-18-11-29(12-19-32)36-43-37(30-13-20-33(21-14-30)40(4,5)6)45-38(44-36)31-17-24-35(42-25-31)28-9-7-26(8-10-28)27-15-22-34(41)23-16-27;4*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;/h7-9,11-25H,1-6H3;7-9,11-25H,1-6H3;4*1-6,8-9H;;/q6*-1;2*+3.
What are the key properties of 2,4-bis(4-tert-butylphenyl)-6-[6-[4-(4-fluorophenyl)benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;2,4-bis(4-tert-butylphenyl)-6-[6-[4-[4-(trifluoromethyl)phenyl]benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;bis(iridium(3+));tetrakis(2-phenylpyridine)?
2,4-bis(4-tert-butylphenyl)-6-[6-[4-(4-fluorophenyl)benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;2,4-bis(4-tert-butylphenyl)-6-[6-[4-[4-(trifluoromethyl)phenyl]benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;bis(iridium(3+));tetrakis(2-phenylpyridine) has a molecular weight of 2234.72 g/mol, XLogP of 31.34, 14 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(4-tert-butylphenyl)-6-[6-[4-(4-fluorophenyl)benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;2,4-bis(4-tert-butylphenyl)-6-[6-[4-[4-(trifluoromethyl)phenyl]benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;bis(iridium(3+));tetrakis(2-phenylpyridine) is sourced from PubChem (CID 161109540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).