2-(4-fluorophenyl)-4-[3-[3-(2-naphtho[2,1-b][1]benzofuran-10-yl-6-pyridin-2-ylpyrimidin-4-yl)phenyl]phenyl]-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine

C53H30F4N6O — CID 154613872

IUPAC2-(4-fluorophenyl)-4-[3-[3-(2-naphtho[2,1-b][1]benzofuran-10-yl-6-pyridin-2-ylpyrimidin-4-yl)phenyl]phenyl]-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine
SMILESFc1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)nc(-c3cccc(-c4cccc(-c5cc(-c6ccccn6)nc(-c6ccc7oc8ccc9ccccc9c8c7c6)n5)c4)c3)n2)cc1
InChIInChI=1S/C53H30F4N6O/c54-40-22-16-33(17-23-40)50-61-49(32-14-20-39(21-15-32)53(55,56)57)62-52(63-50)37-11-6-9-35(28-37)34-8-5-10-36(27-34)44-30-45(43-13-3-4-26-58-43)60-51(59-44)38-19-24-46-42(29-38)48-41-12-2-1-7-31(41)18-25-47(48)64-46/h1-30H
InChIKeyMUYFDLVBSCJQGC-UHFFFAOYSA-N
MW842.86 g/mol
LogP13.94
Rot. Bonds7

About 2-(4-fluorophenyl)-4-[3-[3-(2-naphtho[2,1-b][1]benzofuran-10-yl-6-pyridin-2-ylpyrimidin-4-yl)phenyl]phenyl]-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine

2-(4-fluorophenyl)-4-[3-[3-(2-naphtho[2,1-b][1]benzofuran-10-yl-6-pyridin-2-ylpyrimidin-4-yl)phenyl]phenyl]-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine (PubChem CID 154613872) has the molecular formula C53H30F4N6O and a molecular weight of 842.86 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-[3-[3-(2-naphtho[2,1-b][1]benzofuran-10-yl-6-pyridin-2-ylpyrimidin-4-yl)phenyl]phenyl]-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-[3-[3-(2-naphtho[2,1-b][1]benzofuran-10-yl-6-pyridin-2-ylpyrimidin-4-yl)phenyl]phenyl]-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine
PubChem CID154613872
Molecular FormulaC53H30F4N6O
Molecular Weight842.86 g/mol
Exact Mass842.24
IUPAC Name2-(4-fluorophenyl)-4-[3-[3-(2-naphtho[2,1-b][1]benzofuran-10-yl-6-pyridin-2-ylpyrimidin-4-yl)phenyl]phenyl]-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine
SMILESFc1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)nc(-c3cccc(-c4cccc(-c5cc(-c6ccccn6)nc(-c6ccc7oc8ccc9ccccc9c8c7c6)n5)c4)c3)n2)cc1
InChIInChI=1S/C53H30F4N6O/c54-40-22-16-33(17-23-40)50-61-49(32-14-20-39(21-15-32)53(55,56)57)62-52(63-50)37-11-6-9-35(28-37)34-8-5-10-36(27-34)44-30-45(43-13-3-4-26-58-43)60-51(59-44)38-19-24-46-42(29-38)48-41-12-2-1-7-31(41)18-25-47(48)64-46/h1-30H
InChIKeyMUYFDLVBSCJQGC-UHFFFAOYSA-N
XLogP13.94
TPSA90.48 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500842.86
LogP ≤ 513.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-(4-fluorophenyl)-4-[3-[3-(2-naphtho[2,1-b][1]benzofuran-10-yl-6-pyridin-2-ylpyrimidin-4-yl)phenyl]phenyl]-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-[3-[3-(2-naphtho[2,1-b][1]benzofuran-10-yl-6-pyridin-2-ylpyrimidin-4-yl)phenyl]phenyl]-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine?
The IUPAC name of 2-(4-fluorophenyl)-4-[3-[3-(2-naphtho[2,1-b][1]benzofuran-10-yl-6-pyridin-2-ylpyrimidin-4-yl)phenyl]phenyl]-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine (CID 154613872) is 2-(4-fluorophenyl)-4-[3-[3-(2-naphtho[2,1-b][1]benzofuran-10-yl-6-pyridin-2-ylpyrimidin-4-yl)phenyl]phenyl]-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-(4-fluorophenyl)-4-[3-[3-(2-naphtho[2,1-b][1]benzofuran-10-yl-6-pyridin-2-ylpyrimidin-4-yl)phenyl]phenyl]-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2-(4-fluorophenyl)-4-[3-[3-(2-naphtho[2,1-b][1]benzofuran-10-yl-6-pyridin-2-ylpyrimidin-4-yl)phenyl]phenyl]-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine is Fc1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)nc(-c3cccc(-c4cccc(-c5cc(-c6ccccn6)nc(-c6ccc7oc8ccc9ccccc9c8c7c6)n5)c4)c3)n2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-4-[3-[3-(2-naphtho[2,1-b][1]benzofuran-10-yl-6-pyridin-2-ylpyrimidin-4-yl)phenyl]phenyl]-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine?
The InChIKey is MUYFDLVBSCJQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H30F4N6O/c54-40-22-16-33(17-23-40)50-61-49(32-14-20-39(21-15-32)53(55,56)57)62-52(63-50)37-11-6-9-35(28-37)34-8-5-10-36(27-34)44-30-45(43-13-3-4-26-58-43)60-51(59-44)38-19-24-46-42(29-38)48-41-12-2-1-7-31(41)18-25-47(48)64-46/h1-30H.
What are the key properties of 2-(4-fluorophenyl)-4-[3-[3-(2-naphtho[2,1-b][1]benzofuran-10-yl-6-pyridin-2-ylpyrimidin-4-yl)phenyl]phenyl]-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine?
2-(4-fluorophenyl)-4-[3-[3-(2-naphtho[2,1-b][1]benzofuran-10-yl-6-pyridin-2-ylpyrimidin-4-yl)phenyl]phenyl]-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine has a molecular weight of 842.86 g/mol, XLogP of 13.94, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-[3-[3-(2-naphtho[2,1-b][1]benzofuran-10-yl-6-pyridin-2-ylpyrimidin-4-yl)phenyl]phenyl]-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 154613872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).