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

C65H43F3N10 — CID 159664539

IUPAC2-[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(-c4cccnc4)c3)nc(-c3cccc(-c4cccnc4)c3)n2)cc1)(c1ccc(-c2nc(-c3cccc(-c4cccnc4)c3)nc(-c3cccc(-c4cccnc4)c3)n2)cc1)C(F)(F)F
InChIInChI=1S/C65H43F3N10/c1-64(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/h2-41H,1H3
InChIKeyIKEWMTXKMVSRTK-UHFFFAOYSA-N
MW1021.12 g/mol
LogP15.17
Rot. Bonds12

About 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(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 159664539) has the molecular formula C65H43F3N10 and a molecular weight of 1021.12 g/mol. Its IUPAC name is 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(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 CID159664539
Molecular FormulaC65H43F3N10
Molecular Weight1021.12 g/mol
Exact Mass1020.36
IUPAC Name2-[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(-c4cccnc4)c3)nc(-c3cccc(-c4cccnc4)c3)n2)cc1)(c1ccc(-c2nc(-c3cccc(-c4cccnc4)c3)nc(-c3cccc(-c4cccnc4)c3)n2)cc1)C(F)(F)F
InChIInChI=1S/C65H43F3N10/c1-64(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/h2-41H,1H3
InChIKeyIKEWMTXKMVSRTK-UHFFFAOYSA-N
XLogP15.17
TPSA128.90 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001021.12
LogP ≤ 515.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 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
Tetrakis(acetonitrile);bis(copper(1+));2,7-dipyridin-2-yl-1,8-naphthyridine;bis(tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide)
CID 139240742
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

Frequently Asked Questions

What is the IUPAC name of 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(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 159664539) is 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(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(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(-c4cccnc4)c3)nc(-c3cccc(-c4cccnc4)c3)n2)cc1)(c1ccc(-c2nc(-c3cccc(-c4cccnc4)c3)nc(-c3cccc(-c4cccnc4)c3)n2)cc1)C(F)(F)F.
What is the InChIKey of 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 IKEWMTXKMVSRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H43F3N10/c1-64(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/h2-41H,1H3.
What are the key properties of 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(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 1021.12 g/mol, XLogP of 15.17, 12 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 159664539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).