2,4-bis(4-tert-butylphenyl)-6-[6-(4-propylphenyl)-3-pyridinyl]-1,3,5-triazine;4-[5-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]benzonitrile;2,4-bis(4-tert-butylphenyl)-6-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1,3,5-triazine

C107H106F3N13 — CID 159356833

IUPAC2,4-bis(4-tert-butylphenyl)-6-[6-(4-propylphenyl)-3-pyridinyl]-1,3,5-triazine;4-[5-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]benzonitrile;2,4-bis(4-tert-butylphenyl)-6-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1,3,5-triazine
SMILESCC(C)(C)c1ccc(-c2nc(-c3ccc(C(C)(C)C)cc3)nc(-c3ccc(-c4ccc(C#N)cc4)nc3)n2)cc1.CC(C)(C)c1ccc(-c2nc(-c3ccc(C(C)(C)C)cc3)nc(-c3ccc(-c4ccc(C(F)(F)F)cc4)nc3)n2)cc1.CCCc1ccc(-c2ccc(-c3nc(-c4ccc(C(C)(C)C)cc4)nc(-c4ccc(C(C)(C)C)cc4)n3)cn2)cc1
InChIInChI=1S/C37H40N4.C35H33F3N4.C35H33N5/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/h10-24H,8-9H2,1-7H3;7-21H,1-6H3;7-20,22H,1-6H3
InChIKeyLIAKMUYBYIZHAD-UHFFFAOYSA-N
MW1631.11 g/mol
LogP27.43
Rot. Bonds14

About 2,4-bis(4-tert-butylphenyl)-6-[6-(4-propylphenyl)-3-pyridinyl]-1,3,5-triazine;4-[5-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]benzonitrile;2,4-bis(4-tert-butylphenyl)-6-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1,3,5-triazine

2,4-bis(4-tert-butylphenyl)-6-[6-(4-propylphenyl)-3-pyridinyl]-1,3,5-triazine;4-[5-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]benzonitrile;2,4-bis(4-tert-butylphenyl)-6-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1,3,5-triazine (PubChem CID 159356833) has the molecular formula C107H106F3N13 and a molecular weight of 1631.11 g/mol. Its IUPAC name is 2,4-bis(4-tert-butylphenyl)-6-[6-(4-propylphenyl)-3-pyridinyl]-1,3,5-triazine;4-[5-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]benzonitrile;2,4-bis(4-tert-butylphenyl)-6-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-bis(4-tert-butylphenyl)-6-[6-(4-propylphenyl)-3-pyridinyl]-1,3,5-triazine;4-[5-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]benzonitrile;2,4-bis(4-tert-butylphenyl)-6-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1,3,5-triazine
PubChem CID159356833
Molecular FormulaC107H106F3N13
Molecular Weight1631.11 g/mol
Exact Mass1629.86
IUPAC Name2,4-bis(4-tert-butylphenyl)-6-[6-(4-propylphenyl)-3-pyridinyl]-1,3,5-triazine;4-[5-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]benzonitrile;2,4-bis(4-tert-butylphenyl)-6-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1,3,5-triazine
SMILESCC(C)(C)c1ccc(-c2nc(-c3ccc(C(C)(C)C)cc3)nc(-c3ccc(-c4ccc(C#N)cc4)nc3)n2)cc1.CC(C)(C)c1ccc(-c2nc(-c3ccc(C(C)(C)C)cc3)nc(-c3ccc(-c4ccc(C(F)(F)F)cc4)nc3)n2)cc1.CCCc1ccc(-c2ccc(-c3nc(-c4ccc(C(C)(C)C)cc4)nc(-c4ccc(C(C)(C)C)cc4)n3)cn2)cc1
InChIInChI=1S/C37H40N4.C35H33F3N4.C35H33N5/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/h10-24H,8-9H2,1-7H3;7-21H,1-6H3;7-20,22H,1-6H3
InChIKeyLIAKMUYBYIZHAD-UHFFFAOYSA-N
XLogP27.43
TPSA178.47 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds14
Heavy Atoms123
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001631.11
LogP ≤ 527.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 2,4-bis(4-tert-butylphenyl)-6-[6-(4-propylphenyl)-3-pyridinyl]-1,3,5-triazine;4-[5-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]benzonitrile;2,4-bis(4-tert-butylphenyl)-6-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1,3,5-triazine with MolForge

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Related Compounds

Tetrakis(acetonitrile);bis(copper(1+));2,7-dipyridin-2-yl-1,8-naphthyridine;bis(tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide)
CID 139240742
2-[4-Benzyl-2-[4-(2-methylpropyl)-2-phenylpyrimidin-5-yl]pyrimidin-5-yl]-4-propan-2-ylpyrimidine-5-carbonitrile
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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

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(4-tert-butylphenyl)-6-[6-(4-propylphenyl)-3-pyridinyl]-1,3,5-triazine;4-[5-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]benzonitrile;2,4-bis(4-tert-butylphenyl)-6-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1,3,5-triazine?
The IUPAC name of 2,4-bis(4-tert-butylphenyl)-6-[6-(4-propylphenyl)-3-pyridinyl]-1,3,5-triazine;4-[5-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]benzonitrile;2,4-bis(4-tert-butylphenyl)-6-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1,3,5-triazine (CID 159356833) is 2,4-bis(4-tert-butylphenyl)-6-[6-(4-propylphenyl)-3-pyridinyl]-1,3,5-triazine;4-[5-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]benzonitrile;2,4-bis(4-tert-butylphenyl)-6-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1,3,5-triazine.
What is the SMILES notation for 2,4-bis(4-tert-butylphenyl)-6-[6-(4-propylphenyl)-3-pyridinyl]-1,3,5-triazine;4-[5-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]benzonitrile;2,4-bis(4-tert-butylphenyl)-6-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1,3,5-triazine?
The canonical SMILES for 2,4-bis(4-tert-butylphenyl)-6-[6-(4-propylphenyl)-3-pyridinyl]-1,3,5-triazine;4-[5-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]benzonitrile;2,4-bis(4-tert-butylphenyl)-6-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1,3,5-triazine is CC(C)(C)c1ccc(-c2nc(-c3ccc(C(C)(C)C)cc3)nc(-c3ccc(-c4ccc(C#N)cc4)nc3)n2)cc1.CC(C)(C)c1ccc(-c2nc(-c3ccc(C(C)(C)C)cc3)nc(-c3ccc(-c4ccc(C(F)(F)F)cc4)nc3)n2)cc1.CCCc1ccc(-c2ccc(-c3nc(-c4ccc(C(C)(C)C)cc4)nc(-c4ccc(C(C)(C)C)cc4)n3)cn2)cc1.
What is the InChIKey of 2,4-bis(4-tert-butylphenyl)-6-[6-(4-propylphenyl)-3-pyridinyl]-1,3,5-triazine;4-[5-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]benzonitrile;2,4-bis(4-tert-butylphenyl)-6-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1,3,5-triazine?
The InChIKey is LIAKMUYBYIZHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H40N4.C35H33F3N4.C35H33N5/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/h10-24H,8-9H2,1-7H3;7-21H,1-6H3;7-20,22H,1-6H3.
What are the key properties of 2,4-bis(4-tert-butylphenyl)-6-[6-(4-propylphenyl)-3-pyridinyl]-1,3,5-triazine;4-[5-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]benzonitrile;2,4-bis(4-tert-butylphenyl)-6-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1,3,5-triazine?
2,4-bis(4-tert-butylphenyl)-6-[6-(4-propylphenyl)-3-pyridinyl]-1,3,5-triazine;4-[5-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]benzonitrile;2,4-bis(4-tert-butylphenyl)-6-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1,3,5-triazine has a molecular weight of 1631.11 g/mol, XLogP of 27.43, 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-propylphenyl)-3-pyridinyl]-1,3,5-triazine;4-[5-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]benzonitrile;2,4-bis(4-tert-butylphenyl)-6-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1,3,5-triazine is sourced from PubChem (CID 159356833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).