2-[3-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-[3-[3-(6-naphtho[1,2-b][1]benzofuran-9-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-[3-[3-(6-naphtho[1,2-b][1]benzofuran-9-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine

C181H115N15O2 — CID 162042107

IUPAC2-[3-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-[3-[3-(6-naphtho[1,2-b][1]benzofuran-9-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-[3-[3-(6-naphtho[1,2-b][1]benzofuran-9-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3cc(-c4cccc(-c5cccc(-c6nc(-c7ccc8ccccc8c7)nc(-c7ccc8ccccc8c7)n6)c5)c4)nc(-c4ccc(-c5ccccc5)cc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5cccc(-c6cc(-c7ccc8c(c7)oc7c9ccccc9ccc87)nc(-c7ccccc7)n6)c5)c4)n3)cc2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5cccc(-c6cc(-c7ccc8c(c7)oc7c9ccccc9ccc87)nc(-c7ccccc7)n6)c5)c4)n3)c2)cc1
InChIInChI=1S/C63H41N5.2C59H37N5O/c1-3-13-42(14-4-1)46-25-31-48(32-26-46)58-41-59(65-60(64-58)49-33-27-47(28-34-49)43-15-5-2-6-16-43)54-23-11-21-52(37-54)53-22-12-24-55(40-53)61-66-62(56-35-29-44-17-7-9-19-50(44)38-56)68-63(67-61)57-36-30-45-18-8-10-20-51(45)39-57;1-4-15-38(16-5-1)42-22-13-26-47(34-42)58-62-57(41-20-8-3-9-21-41)63-59(64-58)48-27-14-24-44(35-48)43-23-12-25-45(33-43)52-37-53(61-56(60-52)40-18-6-2-7-19-40)46-30-31-50-51-32-29-39-17-10-11-28-49(39)55(51)65-54(50)36-46;1-4-14-38(15-5-1)39-26-28-43(29-27-39)58-62-57(42-19-8-3-9-20-42)63-59(64-58)48-24-13-22-45(35-48)44-21-12-23-46(34-44)52-37-53(61-56(60-52)41-17-6-2-7-18-41)47-31-32-50-51-33-30-40-16-10-11-25-49(40)55(51)65-54(50)36-47/h1-41H;2*1-37H
InChIKeyYXKMJHOTRLXOEZ-UHFFFAOYSA-N
MW2532.01 g/mol
LogP46.07
Rot. Bonds25

About 2-[3-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-[3-[3-(6-naphtho[1,2-b][1]benzofuran-9-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-[3-[3-(6-naphtho[1,2-b][1]benzofuran-9-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine

2-[3-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-[3-[3-(6-naphtho[1,2-b][1]benzofuran-9-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-[3-[3-(6-naphtho[1,2-b][1]benzofuran-9-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 162042107) has the molecular formula C181H115N15O2 and a molecular weight of 2532.01 g/mol. Its IUPAC name is 2-[3-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-[3-[3-(6-naphtho[1,2-b][1]benzofuran-9-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-[3-[3-(6-naphtho[1,2-b][1]benzofuran-9-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[3-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-[3-[3-(6-naphtho[1,2-b][1]benzofuran-9-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-[3-[3-(6-naphtho[1,2-b][1]benzofuran-9-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
PubChem CID162042107
Molecular FormulaC181H115N15O2
Molecular Weight2532.01 g/mol
Exact Mass2529.94
IUPAC Name2-[3-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-[3-[3-(6-naphtho[1,2-b][1]benzofuran-9-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-[3-[3-(6-naphtho[1,2-b][1]benzofuran-9-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3cc(-c4cccc(-c5cccc(-c6nc(-c7ccc8ccccc8c7)nc(-c7ccc8ccccc8c7)n6)c5)c4)nc(-c4ccc(-c5ccccc5)cc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5cccc(-c6cc(-c7ccc8c(c7)oc7c9ccccc9ccc87)nc(-c7ccccc7)n6)c5)c4)n3)cc2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5cccc(-c6cc(-c7ccc8c(c7)oc7c9ccccc9ccc87)nc(-c7ccccc7)n6)c5)c4)n3)c2)cc1
InChIInChI=1S/C63H41N5.2C59H37N5O/c1-3-13-42(14-4-1)46-25-31-48(32-26-46)58-41-59(65-60(64-58)49-33-27-47(28-34-49)43-15-5-2-6-16-43)54-23-11-21-52(37-54)53-22-12-24-55(40-53)61-66-62(56-35-29-44-17-7-9-19-50(44)38-56)68-63(67-61)57-36-30-45-18-8-10-20-51(45)39-57;1-4-15-38(16-5-1)42-22-13-26-47(34-42)58-62-57(41-20-8-3-9-21-41)63-59(64-58)48-27-14-24-44(35-48)43-23-12-25-45(33-43)52-37-53(61-56(60-52)40-18-6-2-7-19-40)46-30-31-50-51-32-29-39-17-10-11-28-49(39)55(51)65-54(50)36-46;1-4-14-38(15-5-1)39-26-28-43(29-27-39)58-62-57(42-19-8-3-9-20-42)63-59(64-58)48-24-13-22-45(35-48)44-21-12-23-46(34-44)52-37-53(61-56(60-52)41-17-6-2-7-18-41)47-31-32-50-51-33-30-40-16-10-11-25-49(40)55(51)65-54(50)36-47/h1-41H;2*1-37H
InChIKeyYXKMJHOTRLXOEZ-UHFFFAOYSA-N
XLogP46.07
TPSA219.63 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds25
Heavy Atoms198
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002532.01
LogP ≤ 546.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze 2-[3-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-[3-[3-(6-naphtho[1,2-b][1]benzofuran-9-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-[3-[3-(6-naphtho[1,2-b][1]benzofuran-9-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine with MolForge

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Related Compounds

2,4-dinaphthalen-2-yl-6-[3-[3-(6-naphtho[1,2-b][1]benzofuran-9-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-1,3,5-triazine
CID 154614133
2-dibenzofuran-3-yl-4-[3-[3-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine;2,4-di(dibenzofuran-3-yl)-6-[3-[3-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-1,3,5-triazine;2-[3-[3-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-4-naphtho[1,2-b][1]benzofuran-9-yl-6-phenyl-1,3,5-triazine;2-[3-[3-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-4-naphtho[2,3-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazine
CID 158877540
2-dibenzofuran-3-yl-4-[3-[3-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 154613642
2-dibenzofuran-3-yl-4-(3-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)pyrimidine
CID 130465791
2-(3-naphtho[1,2-b][1]benzofuran-9-yl-5-phenylphenyl)-4-phenyl-6-(4-phenylphenyl)pyrimidine
CID 168730388
4-[5-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-9-yl]-2,6-diphenylpyrimidine
CID 169048858
2-[3-[3-(6-naphtho[1,2-b][1]benzofuran-9-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazine
CID 154613855
4-[3-(3-naphtho[1,2-b][1]benzofuran-8-ylphenyl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 142293803
2-[3-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-3-yl-4-[3-[3-[2-dibenzofuran-3-yl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazine;2-[3-[3-[2-dibenzofuran-3-yl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4,6-dinaphthalen-1-yl-1,3,5-triazine;2-[3-[3-[2-dibenzofuran-3-yl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-[3-[3-[2-dibenzofuran-3-yl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4-phenyl-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazine
CID 158286962
4-(3-dibenzofuran-3-yl-5-phenylphenyl)-2-(4-naphthalen-2-ylphenyl)-6-phenylpyrimidine
CID 171583004
2-[3-[3-[2-dibenzofuran-3-yl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 154613600
2-naphthalen-2-yl-4-(7-naphthalen-2-yldibenzofuran-4-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176765189

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-[3-[3-(6-naphtho[1,2-b][1]benzofuran-9-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-[3-[3-(6-naphtho[1,2-b][1]benzofuran-9-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-[3-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-[3-[3-(6-naphtho[1,2-b][1]benzofuran-9-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-[3-[3-(6-naphtho[1,2-b][1]benzofuran-9-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine (CID 162042107) is 2-[3-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-[3-[3-(6-naphtho[1,2-b][1]benzofuran-9-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-[3-[3-(6-naphtho[1,2-b][1]benzofuran-9-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-[3-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-[3-[3-(6-naphtho[1,2-b][1]benzofuran-9-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-[3-[3-(6-naphtho[1,2-b][1]benzofuran-9-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-[3-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-[3-[3-(6-naphtho[1,2-b][1]benzofuran-9-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-[3-[3-(6-naphtho[1,2-b][1]benzofuran-9-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine is c1ccc(-c2ccc(-c3cc(-c4cccc(-c5cccc(-c6nc(-c7ccc8ccccc8c7)nc(-c7ccc8ccccc8c7)n6)c5)c4)nc(-c4ccc(-c5ccccc5)cc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5cccc(-c6cc(-c7ccc8c(c7)oc7c9ccccc9ccc87)nc(-c7ccccc7)n6)c5)c4)n3)cc2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5cccc(-c6cc(-c7ccc8c(c7)oc7c9ccccc9ccc87)nc(-c7ccccc7)n6)c5)c4)n3)c2)cc1.
What is the InChIKey of 2-[3-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-[3-[3-(6-naphtho[1,2-b][1]benzofuran-9-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-[3-[3-(6-naphtho[1,2-b][1]benzofuran-9-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is YXKMJHOTRLXOEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H41N5.2C59H37N5O/c1-3-13-42(14-4-1)46-25-31-48(32-26-46)58-41-59(65-60(64-58)49-33-27-47(28-34-49)43-15-5-2-6-16-43)54-23-11-21-52(37-54)53-22-12-24-55(40-53)61-66-62(56-35-29-44-17-7-9-19-50(44)38-56)68-63(67-61)57-36-30-45-18-8-10-20-51(45)39-57;1-4-15-38(16-5-1)42-22-13-26-47(34-42)58-62-57(41-20-8-3-9-21-41)63-59(64-58)48-27-14-24-44(35-48)43-23-12-25-45(33-43)52-37-53(61-56(60-52)40-18-6-2-7-19-40)46-30-31-50-51-32-29-39-17-10-11-28-49(39)55(51)65-54(50)36-46;1-4-14-38(15-5-1)39-26-28-43(29-27-39)58-62-57(42-19-8-3-9-20-42)63-59(64-58)48-24-13-22-45(35-48)44-21-12-23-46(34-44)52-37-53(61-56(60-52)41-17-6-2-7-18-41)47-31-32-50-51-33-30-40-16-10-11-25-49(40)55(51)65-54(50)36-47/h1-41H;2*1-37H.
What are the key properties of 2-[3-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-[3-[3-(6-naphtho[1,2-b][1]benzofuran-9-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-[3-[3-(6-naphtho[1,2-b][1]benzofuran-9-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
2-[3-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-[3-[3-(6-naphtho[1,2-b][1]benzofuran-9-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-[3-[3-(6-naphtho[1,2-b][1]benzofuran-9-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 2532.01 g/mol, XLogP of 46.07, 25 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-[3-[3-(6-naphtho[1,2-b][1]benzofuran-9-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-[3-[3-(6-naphtho[1,2-b][1]benzofuran-9-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 162042107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).