2,4-bis(4-tert-butylphenyl)-6-[6-(4-propylbenzene-6-id-1-yl)-3-pyridinyl]-1,3,5-triazine;4-[5-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]benzene-5-ide-1-carbonitrile;2,4-bis(4-tert-butylphenyl)-6-[6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;tris(iridium)

C107H103F3Ir3N13-3 — CID 159119410

IUPAC2,4-bis(4-tert-butylphenyl)-6-[6-(4-propylbenzene-6-id-1-yl)-3-pyridinyl]-1,3,5-triazine;4-[5-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]benzene-5-ide-1-carbonitrile;2,4-bis(4-tert-butylphenyl)-6-[6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;tris(iridium)
SMILESCC(C)(C)c1ccc(-c2nc(-c3ccc(C(C)(C)C)cc3)nc(-c3ccc(-c4[c-]cc(C#N)cc4)nc3)n2)cc1.CC(C)(C)c1ccc(-c2nc(-c3ccc(C(C)(C)C)cc3)nc(-c3ccc(-c4[c-]cc(C(F)(F)F)cc4)nc3)n2)cc1.CCCc1c[c-]c(-c2ccc(-c3nc(-c4ccc(C(C)(C)C)cc4)nc(-c4ccc(C(C)(C)C)cc4)n3)cn2)cc1.[Ir].[Ir].[Ir]
InChIInChI=1S/C37H39N4.C35H32F3N4.C35H32N5.3Ir/c1-8-9-25-10-12-26(13-11-25)32-23-18-29(24-38-32)35-40-33(27-14-19-30(20-15-27)36(2,3)4)39-34(41-35)28-16-21-31(22-17-28)37(5,6)7;1-33(2,3)26-14-9-23(10-15-26)30-40-31(24-11-16-27(17-12-24)34(4,5)6)42-32(41-30)25-13-20-29(39-21-25)22-7-18-28(19-8-22)35(36,37)38;1-34(2,3)28-16-11-25(12-17-28)31-38-32(26-13-18-29(19-14-26)35(4,5)6)40-33(39-31)27-15-20-30(37-22-27)24-9-7-23(21-36)8-10-24;;;/h10-12,14-24H,8-9H2,1-7H3;7,9-21H,1-6H3;7-9,11-20,22H,1-6H3;;;/q3*-1;;;
InChIKeyYKLDNTMQZDKUOS-UHFFFAOYSA-N
MW2204.74 g/mol
LogP26.82
Rot. Bonds14

About 2,4-bis(4-tert-butylphenyl)-6-[6-(4-propylbenzene-6-id-1-yl)-3-pyridinyl]-1,3,5-triazine;4-[5-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]benzene-5-ide-1-carbonitrile;2,4-bis(4-tert-butylphenyl)-6-[6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;tris(iridium)

2,4-bis(4-tert-butylphenyl)-6-[6-(4-propylbenzene-6-id-1-yl)-3-pyridinyl]-1,3,5-triazine;4-[5-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]benzene-5-ide-1-carbonitrile;2,4-bis(4-tert-butylphenyl)-6-[6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;tris(iridium) (PubChem CID 159119410) has the molecular formula C107H103F3Ir3N13-3 and a molecular weight of 2204.74 g/mol. Its IUPAC name is 2,4-bis(4-tert-butylphenyl)-6-[6-(4-propylbenzene-6-id-1-yl)-3-pyridinyl]-1,3,5-triazine;4-[5-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]benzene-5-ide-1-carbonitrile;2,4-bis(4-tert-butylphenyl)-6-[6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;tris(iridium).

Molecular Properties

Compound Name2,4-bis(4-tert-butylphenyl)-6-[6-(4-propylbenzene-6-id-1-yl)-3-pyridinyl]-1,3,5-triazine;4-[5-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]benzene-5-ide-1-carbonitrile;2,4-bis(4-tert-butylphenyl)-6-[6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;tris(iridium)
PubChem CID159119410
Molecular FormulaC107H103F3Ir3N13-3
Molecular Weight2204.74 g/mol
Exact Mass2205.73
IUPAC Name2,4-bis(4-tert-butylphenyl)-6-[6-(4-propylbenzene-6-id-1-yl)-3-pyridinyl]-1,3,5-triazine;4-[5-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]benzene-5-ide-1-carbonitrile;2,4-bis(4-tert-butylphenyl)-6-[6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;tris(iridium)
SMILESCC(C)(C)c1ccc(-c2nc(-c3ccc(C(C)(C)C)cc3)nc(-c3ccc(-c4[c-]cc(C#N)cc4)nc3)n2)cc1.CC(C)(C)c1ccc(-c2nc(-c3ccc(C(C)(C)C)cc3)nc(-c3ccc(-c4[c-]cc(C(F)(F)F)cc4)nc3)n2)cc1.CCCc1c[c-]c(-c2ccc(-c3nc(-c4ccc(C(C)(C)C)cc4)nc(-c4ccc(C(C)(C)C)cc4)n3)cn2)cc1.[Ir].[Ir].[Ir]
InChIInChI=1S/C37H39N4.C35H32F3N4.C35H32N5.3Ir/c1-8-9-25-10-12-26(13-11-25)32-23-18-29(24-38-32)35-40-33(27-14-19-30(20-15-27)36(2,3)4)39-34(41-35)28-16-21-31(22-17-28)37(5,6)7;1-33(2,3)26-14-9-23(10-15-26)30-40-31(24-11-16-27(17-12-24)34(4,5)6)42-32(41-30)25-13-20-29(39-21-25)22-7-18-28(19-8-22)35(36,37)38;1-34(2,3)28-16-11-25(12-17-28)31-38-32(26-13-18-29(19-14-26)35(4,5)6)40-33(39-31)27-15-20-30(37-22-27)24-9-7-23(21-36)8-10-24;;;/h10-12,14-24H,8-9H2,1-7H3;7,9-21H,1-6H3;7-9,11-20,22H,1-6H3;;;/q3*-1;;;
InChIKeyYKLDNTMQZDKUOS-UHFFFAOYSA-N
XLogP26.82
TPSA178.47 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds14
Heavy Atoms126
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002204.74
LogP ≤ 526.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 2,4-bis(4-tert-butylphenyl)-6-[6-(4-propylbenzene-6-id-1-yl)-3-pyridinyl]-1,3,5-triazine;4-[5-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]benzene-5-ide-1-carbonitrile;2,4-bis(4-tert-butylphenyl)-6-[6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;tris(iridium) 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
2,4,6-Tris(3'-(pyridin-2yl)biphenyl-3-yl)-1,3,5-triazine
CID 129849643
2,4-Bis(4-tert-butylphenyl)-6-[6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;iridium
CID 58261642
2,4-Bis(4-tert-butylphenyl)-6-[6-[4-(trifluoromethyl)phenyl]pyridin-3-yl]-1,3,5-triazine
CID 58261643
2,4-Bis(4-tert-butylphenyl)-6-[6-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]-3-pyridinyl]-1,3,5-triazine
CID 58261670
2,4-Bis(4-tert-butylphenyl)-6-[6-[4-(4-fluorophenyl)phenyl]-3-pyridinyl]-1,3,5-triazine
CID 58261748
2,4-Bis(4-tert-butylphenyl)-6-[6-(4-fluorophenyl)-3-pyridinyl]-1,3,5-triazine
CID 58261753
2,4-Bis(4-tert-butylphenyl)-6-[6-[4-[4-(trifluoromethyl)phenyl]phenyl]pyridin-3-yl]-1,3,5-triazine
CID 58280784
2,4-Bis(4-tert-butylphenyl)-6-[6-[4-[4-(trifluoromethyl)phenyl]benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;iridium
CID 58280817
CID 58731988
CID 58731988

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(4-tert-butylphenyl)-6-[6-(4-propylbenzene-6-id-1-yl)-3-pyridinyl]-1,3,5-triazine;4-[5-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]benzene-5-ide-1-carbonitrile;2,4-bis(4-tert-butylphenyl)-6-[6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;tris(iridium)?
The IUPAC name of 2,4-bis(4-tert-butylphenyl)-6-[6-(4-propylbenzene-6-id-1-yl)-3-pyridinyl]-1,3,5-triazine;4-[5-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]benzene-5-ide-1-carbonitrile;2,4-bis(4-tert-butylphenyl)-6-[6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;tris(iridium) (CID 159119410) is 2,4-bis(4-tert-butylphenyl)-6-[6-(4-propylbenzene-6-id-1-yl)-3-pyridinyl]-1,3,5-triazine;4-[5-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]benzene-5-ide-1-carbonitrile;2,4-bis(4-tert-butylphenyl)-6-[6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;tris(iridium).
What is the SMILES notation for 2,4-bis(4-tert-butylphenyl)-6-[6-(4-propylbenzene-6-id-1-yl)-3-pyridinyl]-1,3,5-triazine;4-[5-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]benzene-5-ide-1-carbonitrile;2,4-bis(4-tert-butylphenyl)-6-[6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;tris(iridium)?
The canonical SMILES for 2,4-bis(4-tert-butylphenyl)-6-[6-(4-propylbenzene-6-id-1-yl)-3-pyridinyl]-1,3,5-triazine;4-[5-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]benzene-5-ide-1-carbonitrile;2,4-bis(4-tert-butylphenyl)-6-[6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;tris(iridium) is CC(C)(C)c1ccc(-c2nc(-c3ccc(C(C)(C)C)cc3)nc(-c3ccc(-c4[c-]cc(C#N)cc4)nc3)n2)cc1.CC(C)(C)c1ccc(-c2nc(-c3ccc(C(C)(C)C)cc3)nc(-c3ccc(-c4[c-]cc(C(F)(F)F)cc4)nc3)n2)cc1.CCCc1c[c-]c(-c2ccc(-c3nc(-c4ccc(C(C)(C)C)cc4)nc(-c4ccc(C(C)(C)C)cc4)n3)cn2)cc1.[Ir].[Ir].[Ir].
What is the InChIKey of 2,4-bis(4-tert-butylphenyl)-6-[6-(4-propylbenzene-6-id-1-yl)-3-pyridinyl]-1,3,5-triazine;4-[5-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]benzene-5-ide-1-carbonitrile;2,4-bis(4-tert-butylphenyl)-6-[6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;tris(iridium)?
The InChIKey is YKLDNTMQZDKUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H39N4.C35H32F3N4.C35H32N5.3Ir/c1-8-9-25-10-12-26(13-11-25)32-23-18-29(24-38-32)35-40-33(27-14-19-30(20-15-27)36(2,3)4)39-34(41-35)28-16-21-31(22-17-28)37(5,6)7;1-33(2,3)26-14-9-23(10-15-26)30-40-31(24-11-16-27(17-12-24)34(4,5)6)42-32(41-30)25-13-20-29(39-21-25)22-7-18-28(19-8-22)35(36,37)38;1-34(2,3)28-16-11-25(12-17-28)31-38-32(26-13-18-29(19-14-26)35(4,5)6)40-33(39-31)27-15-20-30(37-22-27)24-9-7-23(21-36)8-10-24;;;/h10-12,14-24H,8-9H2,1-7H3;7,9-21H,1-6H3;7-9,11-20,22H,1-6H3;;;/q3*-1;;;.
What are the key properties of 2,4-bis(4-tert-butylphenyl)-6-[6-(4-propylbenzene-6-id-1-yl)-3-pyridinyl]-1,3,5-triazine;4-[5-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]benzene-5-ide-1-carbonitrile;2,4-bis(4-tert-butylphenyl)-6-[6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;tris(iridium)?
2,4-bis(4-tert-butylphenyl)-6-[6-(4-propylbenzene-6-id-1-yl)-3-pyridinyl]-1,3,5-triazine;4-[5-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]benzene-5-ide-1-carbonitrile;2,4-bis(4-tert-butylphenyl)-6-[6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;tris(iridium) has a molecular weight of 2204.74 g/mol, XLogP of 26.82, 14 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(4-tert-butylphenyl)-6-[6-(4-propylbenzene-6-id-1-yl)-3-pyridinyl]-1,3,5-triazine;4-[5-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]benzene-5-ide-1-carbonitrile;2,4-bis(4-tert-butylphenyl)-6-[6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;tris(iridium) is sourced from PubChem (CID 159119410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).