2-[4-[2-[4-[4,6-bis(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine;2-[4-[2-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-[4-[2-[4-[4,6-bis(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-4,6-bis(3-pyridin-3-ylphenyl)-1,3,5-triazine

C203H137F9N22 — CID 159664538

IUPAC2-[4-[2-[4-[4,6-bis(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine;2-[4-[2-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-[4-[2-[4-[4,6-bis(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-4,6-bis(3-pyridin-3-ylphenyl)-1,3,5-triazine
SMILESCC(c1ccc(-c2nc(-c3cccc(-c4ccccc4)c3)nc(-c3cccc(-c4ccccc4)c3)n2)cc1)(c1ccc(-c2nc(-c3cccc(-c4ccccc4)c3)nc(-c3cccc(-c4ccccc4)c3)n2)cc1)C(F)(F)F.CC(c1ccc(-c2nc(-c3cccc(-c4cccnc4)c3)nc(-c3cccc(-c4cccnc4)c3)n2)cc1)(c1ccc(-c2nc(-c3cccc(-c4cccnc4)c3)nc(-c3cccc(-c4cccnc4)c3)n2)cc1)C(F)(F)F.CC(c1ccc(-c2nc(-c3ccccc3-c3ccccc3)nc(-c3ccccc3-c3ccccc3)n2)cc1)(c1ccc(-c2nc(-c3ccccc3-c3ccccc3)nc(-c3ccccc3-c3ccccc3)n2)cc1)C(F)(F)F
InChIInChI=1S/2C69H47F3N6.C65H43F3N10/c1-68(69(70,71)72,52-42-38-50(39-43-52)62-73-64(58-34-18-14-30-54(58)46-22-6-2-7-23-46)77-65(74-62)59-35-19-15-31-55(59)47-24-8-3-9-25-47)53-44-40-51(41-45-53)63-75-66(60-36-20-16-32-56(60)48-26-10-4-11-27-48)78-67(76-63)61-37-21-17-33-57(61)49-28-12-5-13-29-49;1-68(69(70,71)72,60-38-34-50(35-39-60)62-73-64(56-30-14-26-52(42-56)46-18-6-2-7-19-46)77-65(74-62)57-31-15-27-53(43-57)47-20-8-3-9-21-47)61-40-36-51(37-41-61)63-75-66(58-32-16-28-54(44-58)48-22-10-4-11-23-48)78-67(76-63)59-33-17-29-55(45-59)49-24-12-5-13-25-49;1-64(65(66,67)68,56-26-22-42(23-27-56)58-73-60(48-14-2-10-44(34-48)52-18-6-30-69-38-52)77-61(74-58)49-15-3-11-45(35-49)53-19-7-31-70-39-53)57-28-24-43(25-29-57)59-75-62(50-16-4-12-46(36-50)54-20-8-32-71-40-54)78-63(76-59)51-17-5-13-47(37-51)55-21-9-33-72-41-55/h2*2-45H,1H3;2-41H,1H3
InChIKeyMTFSLRRGPGYUKE-UHFFFAOYSA-N
MW3055.46 g/mol
LogP50.36
Rot. Bonds36

About 2-[4-[2-[4-[4,6-bis(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine;2-[4-[2-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-[4-[2-[4-[4,6-bis(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-4,6-bis(3-pyridin-3-ylphenyl)-1,3,5-triazine

2-[4-[2-[4-[4,6-bis(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine;2-[4-[2-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-[4-[2-[4-[4,6-bis(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-4,6-bis(3-pyridin-3-ylphenyl)-1,3,5-triazine (PubChem CID 159664538) has the molecular formula C203H137F9N22 and a molecular weight of 3055.46 g/mol. Its IUPAC name is 2-[4-[2-[4-[4,6-bis(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine;2-[4-[2-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-[4-[2-[4-[4,6-bis(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-4,6-bis(3-pyridin-3-ylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-[2-[4-[4,6-bis(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine;2-[4-[2-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-[4-[2-[4-[4,6-bis(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-4,6-bis(3-pyridin-3-ylphenyl)-1,3,5-triazine
PubChem CID159664538
Molecular FormulaC203H137F9N22
Molecular Weight3055.46 g/mol
Exact Mass3053.13
IUPAC Name2-[4-[2-[4-[4,6-bis(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine;2-[4-[2-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-[4-[2-[4-[4,6-bis(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-4,6-bis(3-pyridin-3-ylphenyl)-1,3,5-triazine
SMILESCC(c1ccc(-c2nc(-c3cccc(-c4ccccc4)c3)nc(-c3cccc(-c4ccccc4)c3)n2)cc1)(c1ccc(-c2nc(-c3cccc(-c4ccccc4)c3)nc(-c3cccc(-c4ccccc4)c3)n2)cc1)C(F)(F)F.CC(c1ccc(-c2nc(-c3cccc(-c4cccnc4)c3)nc(-c3cccc(-c4cccnc4)c3)n2)cc1)(c1ccc(-c2nc(-c3cccc(-c4cccnc4)c3)nc(-c3cccc(-c4cccnc4)c3)n2)cc1)C(F)(F)F.CC(c1ccc(-c2nc(-c3ccccc3-c3ccccc3)nc(-c3ccccc3-c3ccccc3)n2)cc1)(c1ccc(-c2nc(-c3ccccc3-c3ccccc3)nc(-c3ccccc3-c3ccccc3)n2)cc1)C(F)(F)F
InChIInChI=1S/2C69H47F3N6.C65H43F3N10/c1-68(69(70,71)72,52-42-38-50(39-43-52)62-73-64(58-34-18-14-30-54(58)46-22-6-2-7-23-46)77-65(74-62)59-35-19-15-31-55(59)47-24-8-3-9-25-47)53-44-40-51(41-45-53)63-75-66(60-36-20-16-32-56(60)48-26-10-4-11-27-48)78-67(76-63)61-37-21-17-33-57(61)49-28-12-5-13-29-49;1-68(69(70,71)72,60-38-34-50(35-39-60)62-73-64(56-30-14-26-52(42-56)46-18-6-2-7-19-46)77-65(74-62)57-31-15-27-53(43-57)47-20-8-3-9-21-47)61-40-36-51(37-41-61)63-75-66(58-32-16-28-54(44-58)48-22-10-4-11-23-48)78-67(76-63)59-33-17-29-55(45-59)49-24-12-5-13-25-49;1-64(65(66,67)68,56-26-22-42(23-27-56)58-73-60(48-14-2-10-44(34-48)52-18-6-30-69-38-52)77-61(74-58)49-15-3-11-45(35-49)53-19-7-31-70-39-53)57-28-24-43(25-29-57)59-75-62(50-16-4-12-46(36-50)54-20-8-32-71-40-54)78-63(76-59)51-17-5-13-47(37-51)55-21-9-33-72-41-55/h2*2-45H,1H3;2-41H,1H3
InChIKeyMTFSLRRGPGYUKE-UHFFFAOYSA-N
XLogP50.36
TPSA283.58 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds36
Heavy Atoms234
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003055.46
LogP ≤ 550.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Analyze 2-[4-[2-[4-[4,6-bis(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine;2-[4-[2-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-[4-[2-[4-[4,6-bis(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-4,6-bis(3-pyridin-3-ylphenyl)-1,3,5-triazine with MolForge

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Related Compounds

2,4,6-Tris(3-(3-pyridyl)phenyl)-1,3,5-triazine
CID 101523658
Tris(2-pyrimidin-2-ylpyrimidine);ruthenium(2+);bis(tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide)
CID 162405316
1,3,5-Tris(di-2-pyridylaminomethyl)benzene
CID 5242730
2,13-Di-tert-butyl-6,7,8-tetraaza-dibenzo[a,l]naphthacene
CID 49849947
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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[4-[4,6-bis(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine;2-[4-[2-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-[4-[2-[4-[4,6-bis(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-4,6-bis(3-pyridin-3-ylphenyl)-1,3,5-triazine?
The IUPAC name of 2-[4-[2-[4-[4,6-bis(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine;2-[4-[2-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-[4-[2-[4-[4,6-bis(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-4,6-bis(3-pyridin-3-ylphenyl)-1,3,5-triazine (CID 159664538) is 2-[4-[2-[4-[4,6-bis(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine;2-[4-[2-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-[4-[2-[4-[4,6-bis(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-4,6-bis(3-pyridin-3-ylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-[4-[2-[4-[4,6-bis(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine;2-[4-[2-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-[4-[2-[4-[4,6-bis(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-4,6-bis(3-pyridin-3-ylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-[4-[2-[4-[4,6-bis(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine;2-[4-[2-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-[4-[2-[4-[4,6-bis(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-4,6-bis(3-pyridin-3-ylphenyl)-1,3,5-triazine is CC(c1ccc(-c2nc(-c3cccc(-c4ccccc4)c3)nc(-c3cccc(-c4ccccc4)c3)n2)cc1)(c1ccc(-c2nc(-c3cccc(-c4ccccc4)c3)nc(-c3cccc(-c4ccccc4)c3)n2)cc1)C(F)(F)F.CC(c1ccc(-c2nc(-c3cccc(-c4cccnc4)c3)nc(-c3cccc(-c4cccnc4)c3)n2)cc1)(c1ccc(-c2nc(-c3cccc(-c4cccnc4)c3)nc(-c3cccc(-c4cccnc4)c3)n2)cc1)C(F)(F)F.CC(c1ccc(-c2nc(-c3ccccc3-c3ccccc3)nc(-c3ccccc3-c3ccccc3)n2)cc1)(c1ccc(-c2nc(-c3ccccc3-c3ccccc3)nc(-c3ccccc3-c3ccccc3)n2)cc1)C(F)(F)F.
What is the InChIKey of 2-[4-[2-[4-[4,6-bis(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine;2-[4-[2-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-[4-[2-[4-[4,6-bis(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-4,6-bis(3-pyridin-3-ylphenyl)-1,3,5-triazine?
The InChIKey is MTFSLRRGPGYUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C69H47F3N6.C65H43F3N10/c1-68(69(70,71)72,52-42-38-50(39-43-52)62-73-64(58-34-18-14-30-54(58)46-22-6-2-7-23-46)77-65(74-62)59-35-19-15-31-55(59)47-24-8-3-9-25-47)53-44-40-51(41-45-53)63-75-66(60-36-20-16-32-56(60)48-26-10-4-11-27-48)78-67(76-63)61-37-21-17-33-57(61)49-28-12-5-13-29-49;1-68(69(70,71)72,60-38-34-50(35-39-60)62-73-64(56-30-14-26-52(42-56)46-18-6-2-7-19-46)77-65(74-62)57-31-15-27-53(43-57)47-20-8-3-9-21-47)61-40-36-51(37-41-61)63-75-66(58-32-16-28-54(44-58)48-22-10-4-11-23-48)78-67(76-63)59-33-17-29-55(45-59)49-24-12-5-13-25-49;1-64(65(66,67)68,56-26-22-42(23-27-56)58-73-60(48-14-2-10-44(34-48)52-18-6-30-69-38-52)77-61(74-58)49-15-3-11-45(35-49)53-19-7-31-70-39-53)57-28-24-43(25-29-57)59-75-62(50-16-4-12-46(36-50)54-20-8-32-71-40-54)78-63(76-59)51-17-5-13-47(37-51)55-21-9-33-72-41-55/h2*2-45H,1H3;2-41H,1H3.
What are the key properties of 2-[4-[2-[4-[4,6-bis(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine;2-[4-[2-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-[4-[2-[4-[4,6-bis(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-4,6-bis(3-pyridin-3-ylphenyl)-1,3,5-triazine?
2-[4-[2-[4-[4,6-bis(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine;2-[4-[2-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-[4-[2-[4-[4,6-bis(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-4,6-bis(3-pyridin-3-ylphenyl)-1,3,5-triazine has a molecular weight of 3055.46 g/mol, XLogP of 50.36, 36 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[4-[4,6-bis(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine;2-[4-[2-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-[4-[2-[4-[4,6-bis(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-4,6-bis(3-pyridin-3-ylphenyl)-1,3,5-triazine is sourced from PubChem (CID 159664538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).