2-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine

C140H94N16O3 — CID 161369098

IUPAC2-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4cccc(Oc5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)c4)cc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(Oc4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc(Oc5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)c4)cc3)n2)cc1
InChIInChI=1S/C49H33N5O.C48H32N6O.C43H29N5O/c1-5-15-35(16-6-1)44-33-45(36-17-7-2-8-18-36)51-46(50-44)39-29-27-34(28-30-39)40-23-13-25-42(31-40)55-43-26-14-24-41(32-43)49-53-47(37-19-9-3-10-20-37)52-48(54-49)38-21-11-4-12-22-38;1-5-15-34(16-6-1)43-49-44(35-17-7-2-8-18-35)52-47(51-43)38-29-27-33(28-30-38)39-23-13-25-41(31-39)55-42-26-14-24-40(32-42)48-53-45(36-19-9-3-10-20-36)50-46(54-48)37-21-11-4-12-22-37;1-5-15-30(16-6-1)38-29-39(31-17-7-2-8-18-31)45-42(44-38)34-23-13-25-36(27-34)49-37-26-14-24-35(28-37)43-47-40(32-19-9-3-10-20-32)46-41(48-43)33-21-11-4-12-22-33/h1-33H;1-32H;1-29H
InChIKeyVQFMCGPISIYMDD-UHFFFAOYSA-N
MW2048.40 g/mol
LogP34.10
Rot. Bonds26

About 2-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine

2-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 161369098) has the molecular formula C140H94N16O3 and a molecular weight of 2048.40 g/mol. Its IUPAC name is 2-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
PubChem CID161369098
Molecular FormulaC140H94N16O3
Molecular Weight2048.40 g/mol
Exact Mass2046.77
IUPAC Name2-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4cccc(Oc5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)c4)cc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(Oc4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc(Oc5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)c4)cc3)n2)cc1
InChIInChI=1S/C49H33N5O.C48H32N6O.C43H29N5O/c1-5-15-35(16-6-1)44-33-45(36-17-7-2-8-18-36)51-46(50-44)39-29-27-34(28-30-39)40-23-13-25-42(31-40)55-43-26-14-24-41(32-43)49-53-47(37-19-9-3-10-20-37)52-48(54-49)38-21-11-4-12-22-38;1-5-15-34(16-6-1)43-49-44(35-17-7-2-8-18-35)52-47(51-43)38-29-27-33(28-30-38)39-23-13-25-41(31-39)55-42-26-14-24-40(32-42)48-53-45(36-19-9-3-10-20-36)50-46(54-48)37-21-11-4-12-22-37;1-5-15-30(16-6-1)38-29-39(31-17-7-2-8-18-31)45-42(44-38)34-23-13-25-36(27-34)49-37-26-14-24-35(28-37)43-47-40(32-19-9-3-10-20-32)46-41(48-43)33-21-11-4-12-22-33/h1-33H;1-32H;1-29H
InChIKeyVQFMCGPISIYMDD-UHFFFAOYSA-N
XLogP34.10
TPSA233.93 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds26
Heavy Atoms159
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002048.40
LogP ≤ 534.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Analyze 2-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine (CID 161369098) is 2-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4cccc(Oc5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)c4)cc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(Oc4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc(Oc5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)c4)cc3)n2)cc1.
What is the InChIKey of 2-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is VQFMCGPISIYMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H33N5O.C48H32N6O.C43H29N5O/c1-5-15-35(16-6-1)44-33-45(36-17-7-2-8-18-36)51-46(50-44)39-29-27-34(28-30-39)40-23-13-25-42(31-40)55-43-26-14-24-41(32-43)49-53-47(37-19-9-3-10-20-37)52-48(54-49)38-21-11-4-12-22-38;1-5-15-34(16-6-1)43-49-44(35-17-7-2-8-18-35)52-47(51-43)38-29-27-33(28-30-38)39-23-13-25-41(31-39)55-42-26-14-24-40(32-42)48-53-45(36-19-9-3-10-20-36)50-46(54-48)37-21-11-4-12-22-37;1-5-15-30(16-6-1)38-29-39(31-17-7-2-8-18-31)45-42(44-38)34-23-13-25-36(27-34)49-37-26-14-24-35(28-37)43-47-40(32-19-9-3-10-20-32)46-41(48-43)33-21-11-4-12-22-33/h1-33H;1-32H;1-29H.
What are the key properties of 2-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine?
2-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 2048.40 g/mol, XLogP of 34.10, 26 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 161369098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).