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

C65H40F6N10 — CID 155431928

IUPAC2-[4-[2-[4-[4,6-bis(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-4,6-bis(4-pyridin-4-ylphenyl)-1,3,5-triazine
SMILESFC(F)(F)C(c1ccc(-c2nc(-c3ccc(-c4ccncc4)cc3)nc(-c3ccc(-c4ccncc4)cc3)n2)cc1)(c1ccc(-c2nc(-c3ccc(-c4ccncc4)cc3)nc(-c3ccc(-c4ccncc4)cc3)n2)cc1)C(F)(F)F
InChIInChI=1S/C65H40F6N10/c66-64(67,68)63(65(69,70)71,55-21-17-53(18-22-55)61-78-57(49-9-1-41(2-10-49)45-25-33-72-34-26-45)76-58(79-61)50-11-3-42(4-12-50)46-27-35-73-36-28-46)56-23-19-54(20-24-56)62-80-59(51-13-5-43(6-14-51)47-29-37-74-38-30-47)77-60(81-62)52-15-7-44(8-16-52)48-31-39-75-40-32-48/h1-40H
InChIKeyBZKDTXPPVAGWID-UHFFFAOYSA-N
MW1075.09 g/mol
LogP15.72
Rot. Bonds12

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

2-[4-[2-[4-[4,6-bis(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-4,6-bis(4-pyridin-4-ylphenyl)-1,3,5-triazine (PubChem CID 155431928) has the molecular formula C65H40F6N10 and a molecular weight of 1075.09 g/mol. Its IUPAC name is 2-[4-[2-[4-[4,6-bis(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-4,6-bis(4-pyridin-4-ylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-[2-[4-[4,6-bis(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-4,6-bis(4-pyridin-4-ylphenyl)-1,3,5-triazine
PubChem CID155431928
Molecular FormulaC65H40F6N10
Molecular Weight1075.09 g/mol
Exact Mass1074.33
IUPAC Name2-[4-[2-[4-[4,6-bis(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-4,6-bis(4-pyridin-4-ylphenyl)-1,3,5-triazine
SMILESFC(F)(F)C(c1ccc(-c2nc(-c3ccc(-c4ccncc4)cc3)nc(-c3ccc(-c4ccncc4)cc3)n2)cc1)(c1ccc(-c2nc(-c3ccc(-c4ccncc4)cc3)nc(-c3ccc(-c4ccncc4)cc3)n2)cc1)C(F)(F)F
InChIInChI=1S/C65H40F6N10/c66-64(67,68)63(65(69,70)71,55-21-17-53(18-22-55)61-78-57(49-9-1-41(2-10-49)45-25-33-72-34-26-45)76-58(79-61)50-11-3-42(4-12-50)46-27-35-73-36-28-46)56-23-19-54(20-24-56)62-80-59(51-13-5-43(6-14-51)47-29-37-74-38-30-47)77-60(81-62)52-15-7-44(8-16-52)48-31-39-75-40-32-48/h1-40H
InChIKeyBZKDTXPPVAGWID-UHFFFAOYSA-N
XLogP15.72
TPSA128.90 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001075.09
LogP ≤ 515.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[4-[4,6-bis(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-4,6-bis(4-pyridin-4-ylphenyl)-1,3,5-triazine?
The IUPAC name of 2-[4-[2-[4-[4,6-bis(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-4,6-bis(4-pyridin-4-ylphenyl)-1,3,5-triazine (CID 155431928) is 2-[4-[2-[4-[4,6-bis(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-4,6-bis(4-pyridin-4-ylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-[4-[2-[4-[4,6-bis(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-4,6-bis(4-pyridin-4-ylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-[4-[2-[4-[4,6-bis(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-4,6-bis(4-pyridin-4-ylphenyl)-1,3,5-triazine is FC(F)(F)C(c1ccc(-c2nc(-c3ccc(-c4ccncc4)cc3)nc(-c3ccc(-c4ccncc4)cc3)n2)cc1)(c1ccc(-c2nc(-c3ccc(-c4ccncc4)cc3)nc(-c3ccc(-c4ccncc4)cc3)n2)cc1)C(F)(F)F.
What is the InChIKey of 2-[4-[2-[4-[4,6-bis(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-4,6-bis(4-pyridin-4-ylphenyl)-1,3,5-triazine?
The InChIKey is BZKDTXPPVAGWID-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H40F6N10/c66-64(67,68)63(65(69,70)71,55-21-17-53(18-22-55)61-78-57(49-9-1-41(2-10-49)45-25-33-72-34-26-45)76-58(79-61)50-11-3-42(4-12-50)46-27-35-73-36-28-46)56-23-19-54(20-24-56)62-80-59(51-13-5-43(6-14-51)47-29-37-74-38-30-47)77-60(81-62)52-15-7-44(8-16-52)48-31-39-75-40-32-48/h1-40H.
What are the key properties of 2-[4-[2-[4-[4,6-bis(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-4,6-bis(4-pyridin-4-ylphenyl)-1,3,5-triazine?
2-[4-[2-[4-[4,6-bis(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-4,6-bis(4-pyridin-4-ylphenyl)-1,3,5-triazine has a molecular weight of 1075.09 g/mol, XLogP of 15.72, 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(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-4,6-bis(4-pyridin-4-ylphenyl)-1,3,5-triazine is sourced from PubChem (CID 155431928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).