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

C104H68N16 — CID 165107682

IUPAC2-[3-[2-[4-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[2-[4-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccnc(-c4cc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)cc(-c5ccccn5)n4)c3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccnc(-c4cc(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)cc(-c5ccccn5)n4)c3)n2)cc1
InChIInChI=1S/2C52H34N8/c1-5-16-35(17-6-1)44-34-45(36-18-7-2-8-19-36)57-51(56-44)41-27-29-54-46(31-41)48-33-42(32-47(55-48)43-26-13-14-28-53-43)39-24-15-25-40(30-39)52-59-49(37-20-9-3-10-21-37)58-50(60-52)38-22-11-4-12-23-38;1-5-15-36(16-6-1)44-34-45(37-17-7-2-8-18-37)57-52(56-44)41-28-30-54-46(31-41)48-33-42(32-47(55-48)43-23-13-14-29-53-43)35-24-26-40(27-25-35)51-59-49(38-19-9-3-10-20-38)58-50(60-51)39-21-11-4-12-22-39/h2*1-34H
InChIKeyZKOORMSJMUNJPK-UHFFFAOYSA-N
MW1541.80 g/mol
LogP23.70
Rot. Bonds18

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

2-[3-[2-[4-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[2-[4-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 165107682) has the molecular formula C104H68N16 and a molecular weight of 1541.80 g/mol. Its IUPAC name is 2-[3-[2-[4-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[2-[4-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[3-[2-[4-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[2-[4-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]-4,6-diphenyl-1,3,5-triazine
PubChem CID165107682
Molecular FormulaC104H68N16
Molecular Weight1541.80 g/mol
Exact Mass1540.58
IUPAC Name2-[3-[2-[4-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[2-[4-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccnc(-c4cc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)cc(-c5ccccn5)n4)c3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccnc(-c4cc(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)cc(-c5ccccn5)n4)c3)n2)cc1
InChIInChI=1S/2C52H34N8/c1-5-16-35(17-6-1)44-34-45(36-18-7-2-8-19-36)57-51(56-44)41-27-29-54-46(31-41)48-33-42(32-47(55-48)43-26-13-14-28-53-43)39-24-15-25-40(30-39)52-59-49(37-20-9-3-10-21-37)58-50(60-52)38-22-11-4-12-23-38;1-5-15-36(16-6-1)44-34-45(37-17-7-2-8-18-37)57-52(56-44)41-28-30-54-46(31-41)48-33-42(32-47(55-48)43-23-13-14-29-53-43)35-24-26-40(27-25-35)51-59-49(38-19-9-3-10-20-38)58-50(60-51)39-21-11-4-12-22-39/h2*1-34H
InChIKeyZKOORMSJMUNJPK-UHFFFAOYSA-N
XLogP23.70
TPSA206.24 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds18
Heavy Atoms120
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001541.80
LogP ≤ 523.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

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

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Related Compounds

2-[2-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-pyridin-2-yl-2-pyridinyl]-4-pyridinyl]-4,6-diphenylpyrimidine
CID 164816888
2,4-diphenyl-6-[4-[2-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-4-pyridinyl]phenyl]-1,3,5-triazine
CID 164817157
2-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 126730905
2,4-diphenyl-6-[3-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]phenyl]pyrimidine
CID 164817029
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 126730884
2-[2-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-pyridin-2-yl-2-pyridinyl]-4-pyridinyl]-4,6-diphenyl-1,3,5-triazine;2-[2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-pyridin-2-yl-2-pyridinyl]-4-pyridinyl]-4,6-diphenyl-1,3,5-triazine
CID 165008995
4-[3-[3-[4-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-2,6-diphenylpyridine;2-[3-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-4,6-diphenylpyrimidine;2,4-diphenyl-6-[3-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,6-diphenyl-4-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]pyridine;2,4-diphenyl-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 159967956
2-[3-[2-[3-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]-4,6-diphenylpyrimidine;2-[4-[2-[3-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]-4,6-diphenylpyrimidine
CID 165050181
4,6-diphenyl-2-[3-[4-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]phenyl]phenyl]pyrimidine;4,6-diphenyl-2-[4-[4-[2-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]phenyl]phenyl]pyrimidine;4,6-diphenyl-2-[4-[4-[2-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-4-pyridinyl]phenyl]phenyl]pyrimidine
CID 165064030
2-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-5-pyridin-2-ylphenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 126730883
2,4-diphenyl-6-[2-[2-[2-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-4-pyridinyl]phenyl]phenyl]pyrimidine
CID 163762426
2,4-diphenyl-6-[4-[4-[6-[4-(4-phenylphenyl)-6-(5-phenyl-2-pyridinyl)-2-pyridinyl]-3-pyridinyl]phenyl]phenyl]pyrimidine;2,4-diphenyl-6-[4-[4-[6-[4-(4-phenylphenyl)-6-pyridin-2-yl-2-pyridinyl]-3-pyridinyl]phenyl]phenyl]pyrimidine
CID 165075170

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-[4-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[2-[4-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[3-[2-[4-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[2-[4-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]-4,6-diphenyl-1,3,5-triazine (CID 165107682) is 2-[3-[2-[4-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[2-[4-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[3-[2-[4-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[2-[4-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[3-[2-[4-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[2-[4-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2cc(-c3ccccc3)nc(-c3ccnc(-c4cc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)cc(-c5ccccn5)n4)c3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccnc(-c4cc(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)cc(-c5ccccn5)n4)c3)n2)cc1.
What is the InChIKey of 2-[3-[2-[4-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[2-[4-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is ZKOORMSJMUNJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C52H34N8/c1-5-16-35(17-6-1)44-34-45(36-18-7-2-8-19-36)57-51(56-44)41-27-29-54-46(31-41)48-33-42(32-47(55-48)43-26-13-14-28-53-43)39-24-15-25-40(30-39)52-59-49(37-20-9-3-10-21-37)58-50(60-52)38-22-11-4-12-23-38;1-5-15-36(16-6-1)44-34-45(37-17-7-2-8-18-37)57-52(56-44)41-28-30-54-46(31-41)48-33-42(32-47(55-48)43-23-13-14-29-53-43)35-24-26-40(27-25-35)51-59-49(38-19-9-3-10-20-38)58-50(60-51)39-21-11-4-12-22-39/h2*1-34H.
What are the key properties of 2-[3-[2-[4-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[2-[4-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]-4,6-diphenyl-1,3,5-triazine?
2-[3-[2-[4-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[2-[4-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 1541.80 g/mol, XLogP of 23.70, 18 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-[4-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[2-[4-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 165107682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).