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

C102H66N18 — CID 165008995

IUPAC2-[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
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cc(-c5ccccn5)nc(-c5cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)ccn5)c4)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccnc(-c4cc(-c5ccccc5-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc(-c5ccccn5)n4)c3)n2)cc1
InChIInChI=1S/2C51H33N9/c1-5-17-34(18-6-1)46-55-47(35-19-7-2-8-20-35)58-50(57-46)38-28-30-53-43(31-38)45-33-39(32-44(54-45)42-27-15-16-29-52-42)40-25-13-14-26-41(40)51-59-48(36-21-9-3-10-22-36)56-49(60-51)37-23-11-4-12-24-37;1-5-16-34(17-6-1)46-55-47(35-18-7-2-8-19-35)58-50(57-46)39-25-15-24-38(30-39)41-32-44(42-26-13-14-28-52-42)54-45(33-41)43-31-40(27-29-53-43)51-59-48(36-20-9-3-10-21-36)56-49(60-51)37-22-11-4-12-23-37/h2*1-33H
InChIKeyJKGWKXAKYITYCK-UHFFFAOYSA-N
MW1543.78 g/mol
LogP22.49
Rot. Bonds18

About 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

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 (PubChem CID 165008995) has the molecular formula C102H66N18 and a molecular weight of 1543.78 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID165008995
Molecular FormulaC102H66N18
Molecular Weight1543.78 g/mol
Exact Mass1542.57
IUPAC Name2-[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
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cc(-c5ccccn5)nc(-c5cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)ccn5)c4)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccnc(-c4cc(-c5ccccc5-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc(-c5ccccn5)n4)c3)n2)cc1
InChIInChI=1S/2C51H33N9/c1-5-17-34(18-6-1)46-55-47(35-19-7-2-8-20-35)58-50(57-46)38-28-30-53-43(31-38)45-33-39(32-44(54-45)42-27-15-16-29-52-42)40-25-13-14-26-41(40)51-59-48(36-21-9-3-10-22-36)56-49(60-51)37-23-11-4-12-24-37;1-5-16-34(17-6-1)46-55-47(35-18-7-2-8-19-35)58-50(57-46)39-25-15-24-38(30-39)41-32-44(42-26-13-14-28-52-42)54-45(33-41)43-31-40(27-29-53-43)51-59-48(36-20-9-3-10-21-36)56-49(60-51)37-22-11-4-12-23-37/h2*1-33H
InChIKeyJKGWKXAKYITYCK-UHFFFAOYSA-N
XLogP22.49
TPSA232.02 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds18
Heavy Atoms120
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001543.78
LogP ≤ 522.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

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
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-[2-[2-[6-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]-4,6-diphenylpyrimidine
CID 164816961
2,4-diphenyl-6-[2-[4-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]phenyl]phenyl]-1,3,5-triazine
CID 164817190
2,4-diphenyl-6-[2-[2-[2-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-4-pyridinyl]phenyl]phenyl]pyrimidine
CID 163762426
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
4-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 102048585
2,4-diphenyl-6-[2-[4-[2-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]phenyl]phenyl]-1,3,5-triazine
CID 164817309
2,4-diphenyl-6-[3-[2-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]phenyl]phenyl]pyrimidine
CID 163565213
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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cc(-c5ccccn5)nc(-c5cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)ccn5)c4)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccnc(-c4cc(-c5ccccc5-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc(-c5ccccn5)n4)c3)n2)cc1.
What is the InChIKey of 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?
The InChIKey is JKGWKXAKYITYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C51H33N9/c1-5-17-34(18-6-1)46-55-47(35-19-7-2-8-20-35)58-50(57-46)38-28-30-53-43(31-38)45-33-39(32-44(54-45)42-27-15-16-29-52-42)40-25-13-14-26-41(40)51-59-48(36-21-9-3-10-22-36)56-49(60-51)37-23-11-4-12-24-37;1-5-16-34(17-6-1)46-55-47(35-18-7-2-8-19-35)58-50(57-46)39-25-15-24-38(30-39)41-32-44(42-26-13-14-28-52-42)54-45(33-41)43-31-40(27-29-53-43)51-59-48(36-20-9-3-10-21-36)56-49(60-51)37-22-11-4-12-23-37/h2*1-33H.
What are the key properties of 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?
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 has a molecular weight of 1543.78 g/mol, XLogP of 22.49, 18 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 165008995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).