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

C183H123N21O4 — CID 159315489

IUPAC2-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3cccc(Oc4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccc(Oc5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)cc4)cc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(Oc4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(Oc5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)cc4)cc3)n2)cc1
InChIInChI=1S/C49H33N5O.C48H32N6O.2C43H29N5O/c1-5-14-36(15-6-1)44-33-45(37-16-7-2-8-17-37)51-46(50-44)40-26-24-34(25-27-40)35-28-30-42(31-29-35)55-43-23-13-22-41(32-43)49-53-47(38-18-9-3-10-19-38)52-48(54-49)39-20-11-4-12-21-39;1-5-14-35(15-6-1)43-49-44(36-16-7-2-8-17-36)52-47(51-43)39-26-24-33(25-27-39)34-28-30-41(31-29-34)55-42-23-13-22-40(32-42)48-53-45(37-18-9-3-10-19-37)50-46(54-48)38-20-11-4-12-21-38;1-5-14-30(15-6-1)38-29-39(45-40(44-38)31-16-7-2-8-17-31)35-22-13-23-37(28-35)49-36-26-24-34(25-27-36)43-47-41(32-18-9-3-10-19-32)46-42(48-43)33-20-11-4-12-21-33;1-5-14-30(15-6-1)38-29-39(31-16-7-2-8-17-31)45-43(44-38)35-22-13-23-37(28-35)49-36-26-24-34(25-27-36)42-47-40(32-18-9-3-10-19-32)46-41(48-42)33-20-11-4-12-21-33/h1-33H;1-32H;2*1-29H
InChIKeyLDBSWWNZZNTOLD-UHFFFAOYSA-N
MW2680.14 g/mol
LogP44.55
Rot. Bonds34

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

2-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 159315489) has the molecular formula C183H123N21O4 and a molecular weight of 2680.14 g/mol. Its IUPAC name is 2-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
PubChem CID159315489
Molecular FormulaC183H123N21O4
Molecular Weight2680.14 g/mol
Exact Mass2678.01
IUPAC Name2-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3cccc(Oc4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccc(Oc5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)cc4)cc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(Oc4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(Oc5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)cc4)cc3)n2)cc1
InChIInChI=1S/C49H33N5O.C48H32N6O.2C43H29N5O/c1-5-14-36(15-6-1)44-33-45(37-16-7-2-8-17-37)51-46(50-44)40-26-24-34(25-27-40)35-28-30-42(31-29-35)55-43-23-13-22-41(32-43)49-53-47(38-18-9-3-10-19-38)52-48(54-49)39-20-11-4-12-21-39;1-5-14-35(15-6-1)43-49-44(36-16-7-2-8-17-36)52-47(51-43)39-26-24-33(25-27-39)34-28-30-41(31-29-34)55-42-23-13-22-40(32-42)48-53-45(37-18-9-3-10-19-37)50-46(54-48)38-20-11-4-12-21-38;1-5-14-30(15-6-1)38-29-39(45-40(44-38)31-16-7-2-8-17-31)35-22-13-23-37(28-35)49-36-26-24-34(25-27-36)43-47-41(32-18-9-3-10-19-32)46-42(48-43)33-20-11-4-12-21-33;1-5-14-30(15-6-1)38-29-39(31-16-7-2-8-17-31)45-43(44-38)35-22-13-23-37(28-35)49-36-26-24-34(25-27-36)42-47-40(32-18-9-3-10-19-32)46-41(48-42)33-20-11-4-12-21-33/h1-33H;1-32H;2*1-29H
InChIKeyLDBSWWNZZNTOLD-UHFFFAOYSA-N
XLogP44.55
TPSA307.61 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds34
Heavy Atoms208
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002680.14
LogP ≤ 544.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Analyze 2-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-[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-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-[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-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine (CID 159315489) is 2-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-[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-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-[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-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2cc(-c3cccc(Oc4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccc(Oc5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)cc4)cc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(Oc4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(Oc5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)cc4)cc3)n2)cc1.
What is the InChIKey of 2-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is LDBSWWNZZNTOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H33N5O.C48H32N6O.2C43H29N5O/c1-5-14-36(15-6-1)44-33-45(37-16-7-2-8-17-37)51-46(50-44)40-26-24-34(25-27-40)35-28-30-42(31-29-35)55-43-23-13-22-41(32-43)49-53-47(38-18-9-3-10-19-38)52-48(54-49)39-20-11-4-12-21-39;1-5-14-35(15-6-1)43-49-44(36-16-7-2-8-17-36)52-47(51-43)39-26-24-33(25-27-39)34-28-30-41(31-29-34)55-42-23-13-22-40(32-42)48-53-45(37-18-9-3-10-19-37)50-46(54-48)38-20-11-4-12-21-38;1-5-14-30(15-6-1)38-29-39(45-40(44-38)31-16-7-2-8-17-31)35-22-13-23-37(28-35)49-36-26-24-34(25-27-36)43-47-41(32-18-9-3-10-19-32)46-42(48-43)33-20-11-4-12-21-33;1-5-14-30(15-6-1)38-29-39(31-16-7-2-8-17-31)45-43(44-38)35-22-13-23-37(28-35)49-36-26-24-34(25-27-36)42-47-40(32-18-9-3-10-19-32)46-41(48-42)33-20-11-4-12-21-33/h1-33H;1-32H;2*1-29H.
What are the key properties of 2-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine?
2-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-[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 2680.14 g/mol, XLogP of 44.55, 34 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-[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 159315489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).