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

C81H74F4N8 — CID 158249979

IUPAC2,4-bis(4-tert-butylphenyl)-6-[6-[4-(4-fluorophenyl)phenyl]-3-pyridinyl]-1,3,5-triazine;2,4-bis(4-tert-butylphenyl)-6-[6-[4-[4-(trifluoromethyl)phenyl]phenyl]-3-pyridinyl]-1,3,5-triazine
SMILESCC(C)(C)c1ccc(-c2nc(-c3ccc(C(C)(C)C)cc3)nc(-c3ccc(-c4ccc(-c5ccc(C(F)(F)F)cc5)cc4)nc3)n2)cc1.CC(C)(C)c1ccc(-c2nc(-c3ccc(C(C)(C)C)cc3)nc(-c3ccc(-c4ccc(-c5ccc(F)cc5)cc4)nc3)n2)cc1
InChIInChI=1S/C41H37F3N4.C40H37FN4/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/h7-25H,1-6H3;7-25H,1-6H3
InChIKeyGGPCSTJXSPILJE-UHFFFAOYSA-N
MW1235.53 g/mol
LogP21.55
Rot. Bonds10

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

2,4-bis(4-tert-butylphenyl)-6-[6-[4-(4-fluorophenyl)phenyl]-3-pyridinyl]-1,3,5-triazine;2,4-bis(4-tert-butylphenyl)-6-[6-[4-[4-(trifluoromethyl)phenyl]phenyl]-3-pyridinyl]-1,3,5-triazine (PubChem CID 158249979) has the molecular formula C81H74F4N8 and a molecular weight of 1235.53 g/mol. Its IUPAC name is 2,4-bis(4-tert-butylphenyl)-6-[6-[4-(4-fluorophenyl)phenyl]-3-pyridinyl]-1,3,5-triazine;2,4-bis(4-tert-butylphenyl)-6-[6-[4-[4-(trifluoromethyl)phenyl]phenyl]-3-pyridinyl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-bis(4-tert-butylphenyl)-6-[6-[4-(4-fluorophenyl)phenyl]-3-pyridinyl]-1,3,5-triazine;2,4-bis(4-tert-butylphenyl)-6-[6-[4-[4-(trifluoromethyl)phenyl]phenyl]-3-pyridinyl]-1,3,5-triazine
PubChem CID158249979
Molecular FormulaC81H74F4N8
Molecular Weight1235.53 g/mol
Exact Mass1234.60
IUPAC Name2,4-bis(4-tert-butylphenyl)-6-[6-[4-(4-fluorophenyl)phenyl]-3-pyridinyl]-1,3,5-triazine;2,4-bis(4-tert-butylphenyl)-6-[6-[4-[4-(trifluoromethyl)phenyl]phenyl]-3-pyridinyl]-1,3,5-triazine
SMILESCC(C)(C)c1ccc(-c2nc(-c3ccc(C(C)(C)C)cc3)nc(-c3ccc(-c4ccc(-c5ccc(C(F)(F)F)cc5)cc4)nc3)n2)cc1.CC(C)(C)c1ccc(-c2nc(-c3ccc(C(C)(C)C)cc3)nc(-c3ccc(-c4ccc(-c5ccc(F)cc5)cc4)nc3)n2)cc1
InChIInChI=1S/C41H37F3N4.C40H37FN4/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/h7-25H,1-6H3;7-25H,1-6H3
InChIKeyGGPCSTJXSPILJE-UHFFFAOYSA-N
XLogP21.55
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms93
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001235.53
LogP ≤ 521.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Launch Full Analysis

Related Compounds

N-(1-benzylpiperidin-4-yl)-6-[5-(4-methylphenyl)-3-pyridinyl]-2-phenylpyrimidin-4-amine
CID 3383705
2,4,6-Tris(3-(3-pyridyl)phenyl)-1,3,5-triazine
CID 101523658
4-{4-[6-Methyl-4-(4-trifluoromethyl-phenyl)-pyridin-2-yl]-pyrimidin-2-yl}-pyridin-2-ylamine
CID 24760659
4-[4-Trifluoromethyl-6-(6-trifluoromethyl-pyridin-3-yl)-pyrimidin-2-yl]-[2,3']bipyridinyl-6'-ylamine
CID 86624638
2,7-Bis(di-2-pyridylfluoromethyl)-1,8-naphthyridine
CID 102367352
4-(4-Fluorophenyl)-2-pyridin-3-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine
CID 4387545
Tetrakis(acetonitrile);bis(copper(1+));2,7-dipyridin-2-yl-1,8-naphthyridine;bis(tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide)
CID 139240742
Dipyridylfluoronaphthyridine
CID 168069286
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

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(4-tert-butylphenyl)-6-[6-[4-(4-fluorophenyl)phenyl]-3-pyridinyl]-1,3,5-triazine;2,4-bis(4-tert-butylphenyl)-6-[6-[4-[4-(trifluoromethyl)phenyl]phenyl]-3-pyridinyl]-1,3,5-triazine?
The IUPAC name of 2,4-bis(4-tert-butylphenyl)-6-[6-[4-(4-fluorophenyl)phenyl]-3-pyridinyl]-1,3,5-triazine;2,4-bis(4-tert-butylphenyl)-6-[6-[4-[4-(trifluoromethyl)phenyl]phenyl]-3-pyridinyl]-1,3,5-triazine (CID 158249979) is 2,4-bis(4-tert-butylphenyl)-6-[6-[4-(4-fluorophenyl)phenyl]-3-pyridinyl]-1,3,5-triazine;2,4-bis(4-tert-butylphenyl)-6-[6-[4-[4-(trifluoromethyl)phenyl]phenyl]-3-pyridinyl]-1,3,5-triazine.
What is the SMILES notation for 2,4-bis(4-tert-butylphenyl)-6-[6-[4-(4-fluorophenyl)phenyl]-3-pyridinyl]-1,3,5-triazine;2,4-bis(4-tert-butylphenyl)-6-[6-[4-[4-(trifluoromethyl)phenyl]phenyl]-3-pyridinyl]-1,3,5-triazine?
The canonical SMILES for 2,4-bis(4-tert-butylphenyl)-6-[6-[4-(4-fluorophenyl)phenyl]-3-pyridinyl]-1,3,5-triazine;2,4-bis(4-tert-butylphenyl)-6-[6-[4-[4-(trifluoromethyl)phenyl]phenyl]-3-pyridinyl]-1,3,5-triazine is CC(C)(C)c1ccc(-c2nc(-c3ccc(C(C)(C)C)cc3)nc(-c3ccc(-c4ccc(-c5ccc(C(F)(F)F)cc5)cc4)nc3)n2)cc1.CC(C)(C)c1ccc(-c2nc(-c3ccc(C(C)(C)C)cc3)nc(-c3ccc(-c4ccc(-c5ccc(F)cc5)cc4)nc3)n2)cc1.
What is the InChIKey of 2,4-bis(4-tert-butylphenyl)-6-[6-[4-(4-fluorophenyl)phenyl]-3-pyridinyl]-1,3,5-triazine;2,4-bis(4-tert-butylphenyl)-6-[6-[4-[4-(trifluoromethyl)phenyl]phenyl]-3-pyridinyl]-1,3,5-triazine?
The InChIKey is GGPCSTJXSPILJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H37F3N4.C40H37FN4/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/h7-25H,1-6H3;7-25H,1-6H3.
What are the key properties of 2,4-bis(4-tert-butylphenyl)-6-[6-[4-(4-fluorophenyl)phenyl]-3-pyridinyl]-1,3,5-triazine;2,4-bis(4-tert-butylphenyl)-6-[6-[4-[4-(trifluoromethyl)phenyl]phenyl]-3-pyridinyl]-1,3,5-triazine?
2,4-bis(4-tert-butylphenyl)-6-[6-[4-(4-fluorophenyl)phenyl]-3-pyridinyl]-1,3,5-triazine;2,4-bis(4-tert-butylphenyl)-6-[6-[4-[4-(trifluoromethyl)phenyl]phenyl]-3-pyridinyl]-1,3,5-triazine has a molecular weight of 1235.53 g/mol, XLogP of 21.55, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(4-tert-butylphenyl)-6-[6-[4-(4-fluorophenyl)phenyl]-3-pyridinyl]-1,3,5-triazine;2,4-bis(4-tert-butylphenyl)-6-[6-[4-[4-(trifluoromethyl)phenyl]phenyl]-3-pyridinyl]-1,3,5-triazine is sourced from PubChem (CID 158249979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).