2-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-1-yl]-5-pyridin-2-ylphenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine

C57H37N7 — CID 126730918

IUPAC2-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-1-yl]-5-pyridin-2-ylphenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cc(-c5ccccn5)cc(-c5ccc(-c6cc(-c7ccccn7)nc(-c7ccccn7)c6)c6ccccc56)c4)n3)cc2)cc1
InChIInChI=1S/C57H37N7/c1-3-15-38(16-4-1)39-24-26-41(27-25-39)56-62-55(40-17-5-2-6-18-40)63-57(64-56)45-34-42(33-44(35-45)50-21-9-12-30-58-50)46-28-29-47(49-20-8-7-19-48(46)49)43-36-53(51-22-10-13-31-59-51)61-54(37-43)52-23-11-14-32-60-52/h1-37H
InChIKeyRJMMCBWMKPOXDO-UHFFFAOYSA-N
MW819.97 g/mol
LogP13.61
Rot. Bonds9

About 2-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-1-yl]-5-pyridin-2-ylphenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine

2-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-1-yl]-5-pyridin-2-ylphenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 126730918) has the molecular formula C57H37N7 and a molecular weight of 819.97 g/mol. Its IUPAC name is 2-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-1-yl]-5-pyridin-2-ylphenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-1-yl]-5-pyridin-2-ylphenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
PubChem CID126730918
Molecular FormulaC57H37N7
Molecular Weight819.97 g/mol
Exact Mass819.31
IUPAC Name2-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-1-yl]-5-pyridin-2-ylphenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cc(-c5ccccn5)cc(-c5ccc(-c6cc(-c7ccccn7)nc(-c7ccccn7)c6)c6ccccc56)c4)n3)cc2)cc1
InChIInChI=1S/C57H37N7/c1-3-15-38(16-4-1)39-24-26-41(27-25-39)56-62-55(40-17-5-2-6-18-40)63-57(64-56)45-34-42(33-44(35-45)50-21-9-12-30-58-50)46-28-29-47(49-20-8-7-19-48(46)49)43-36-53(51-22-10-13-31-59-51)61-54(37-43)52-23-11-14-32-60-52/h1-37H
InChIKeyRJMMCBWMKPOXDO-UHFFFAOYSA-N
XLogP13.61
TPSA90.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500819.97
LogP ≤ 513.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-1-yl]-5-pyridin-2-ylphenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-[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-[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-[6-[4-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-1-yl]-3-pyridinyl]-4,6-diphenyl-1,3,5-triazine
CID 126727033
2,4-diphenyl-6-[3-phenyl-5-(4-pyridin-2-ylphenyl)phenyl]-1,3,5-triazine
CID 59510699
2,6-dipyridin-2-yl-4-[4-(3-pyridin-2-yl-5-pyridin-4-ylphenyl)naphthalen-1-yl]pyridine
CID 126730917
2-(3,5-dipyridin-2-ylphenyl)-4,6-bis(4-pyridin-2-ylphenyl)-1,3,5-triazine
CID 118582359
2-[6-[4-(3,5-diphenylphenyl)-6-pyridin-2-yl-2-pyridinyl]-3-pyridinyl]-4,6-diphenyl-1,3,5-triazine
CID 164817295
2,4-diphenyl-6-[4-[2-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-4-pyridinyl]phenyl]-1,3,5-triazine
CID 164817157
2-(3,5-dipyridin-2-ylphenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 59510704
2-phenyl-4,6-bis[3-phenyl-5-(4-pyridin-2-ylphenyl)phenyl]pyrimidine
CID 134166118
4-[10-(2,6-dipyridin-2-yl-4-pyridinyl)anthracen-9-yl]-2,6-dipyridin-2-ylpyridine;4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,6-dipyridin-2-ylpyridine;2,4,6-tripyridin-2-ylpyridine
CID 161380228

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-1-yl]-5-pyridin-2-ylphenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-1-yl]-5-pyridin-2-ylphenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine (CID 126730918) is 2-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-1-yl]-5-pyridin-2-ylphenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-1-yl]-5-pyridin-2-ylphenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-1-yl]-5-pyridin-2-ylphenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cc(-c5ccccn5)cc(-c5ccc(-c6cc(-c7ccccn7)nc(-c7ccccn7)c6)c6ccccc56)c4)n3)cc2)cc1.
What is the InChIKey of 2-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-1-yl]-5-pyridin-2-ylphenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is RJMMCBWMKPOXDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H37N7/c1-3-15-38(16-4-1)39-24-26-41(27-25-39)56-62-55(40-17-5-2-6-18-40)63-57(64-56)45-34-42(33-44(35-45)50-21-9-12-30-58-50)46-28-29-47(49-20-8-7-19-48(46)49)43-36-53(51-22-10-13-31-59-51)61-54(37-43)52-23-11-14-32-60-52/h1-37H.
What are the key properties of 2-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-1-yl]-5-pyridin-2-ylphenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
2-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-1-yl]-5-pyridin-2-ylphenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 819.97 g/mol, XLogP of 13.61, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-1-yl]-5-pyridin-2-ylphenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 126730918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).