2-[3,5-bis(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine

C59H37N9 — CID 67984341

IUPAC2-[3,5-bis(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3cc(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)cc(-c4nc(-c5ccc6ccccc6c5)nc(-c5ccc6ccccc6c5)n4)c3)cc(-c3ccccn3)n2)nc1
InChIInChI=1S/C59H37N9/c1-3-15-40-29-42(23-21-38(40)13-1)57-66-58(43-24-22-39-14-2-4-16-41(39)30-43)68-59(67-57)48-32-44(46-34-53(49-17-5-9-25-60-49)64-54(35-46)50-18-6-10-26-61-50)31-45(33-48)47-36-55(51-19-7-11-27-62-51)65-56(37-47)52-20-8-12-28-63-52/h1-37H
InChIKeyLTEJRTDHEOFXAX-UHFFFAOYSA-N
MW872.01 g/mol
LogP13.55
Rot. Bonds9

About 2-[3,5-bis(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine

2-[3,5-bis(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine (PubChem CID 67984341) has the molecular formula C59H37N9 and a molecular weight of 872.01 g/mol. Its IUPAC name is 2-[3,5-bis(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-[3,5-bis(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine
PubChem CID67984341
Molecular FormulaC59H37N9
Molecular Weight872.01 g/mol
Exact Mass871.32
IUPAC Name2-[3,5-bis(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3cc(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)cc(-c4nc(-c5ccc6ccccc6c5)nc(-c5ccc6ccccc6c5)n4)c3)cc(-c3ccccn3)n2)nc1
InChIInChI=1S/C59H37N9/c1-3-15-40-29-42(23-21-38(40)13-1)57-66-58(43-24-22-39-14-2-4-16-41(39)30-43)68-59(67-57)48-32-44(46-34-53(49-17-5-9-25-60-49)64-54(35-46)50-18-6-10-26-61-50)31-45(33-48)47-36-55(51-19-7-11-27-62-51)65-56(37-47)52-20-8-12-28-63-52/h1-37H
InChIKeyLTEJRTDHEOFXAX-UHFFFAOYSA-N
XLogP13.55
TPSA116.01 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500872.01
LogP ≤ 513.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-[3,5-bis(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4,6-dinaphthalen-2-yl-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-(2,6-dipyridin-2-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline
CID 4174337
US10167270, Example 17
CID 124168021
4-(4-Benzylpiperazin-1-yl)-2-phenyl-6-(5-phenylpyridin-3-yl)pyrimidine
CID 4069661
4-(Naphthalen-2-yl)-5-(pyridin-4-yl)pyrimidine
CID 54585292
(1S,2S)-1-N-[[8-[[[(1S,2S)-2-[bis(pyridin-2-ylmethyl)amino]cyclohexyl]amino]methyl]anthracen-1-yl]methyl]-2-N,2-N-bis(pyridin-2-ylmethyl)cyclohexane-1,2-diamine
CID 101496685
(1R,2R)-1-N-[[8-[[[(1R,2R)-2-[bis(pyridin-2-ylmethyl)amino]cyclohexyl]amino]methyl]anthracen-1-yl]methyl]-2-N,2-N-bis(pyridin-2-ylmethyl)cyclohexane-1,2-diamine
CID 162651592
2-(2-Naphthyl)-6-[4-(2-pyridyl)piperazin-1-yl]pyrazine
CID 6482659
N-[[10-[[bis(2-pyridylmethyl)amino]methyl]-9-anthryl]methyl]-1-(2-pyridyl)-N-(2-pyridylmethyl)methanamine
CID 10175868
2,2'-Bi-1,8-naphthyridine
CID 13185707
6-(2-methyl-4-pyridinyl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]isoquinolin-1-amine
CID 71617803
N-[(2'-Methyl[2,4'-bipyridin]-5-yl)methyl]-6-(2-pyrazinyl)-1-isoquinolinamine
CID 71617872
6-(6-methyl-3-pyridinyl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]isoquinolin-1-amine
CID 71617874

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine?
The IUPAC name of 2-[3,5-bis(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine (CID 67984341) is 2-[3,5-bis(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine.
What is the SMILES notation for 2-[3,5-bis(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine?
The canonical SMILES for 2-[3,5-bis(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine is c1ccc(-c2cc(-c3cc(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)cc(-c4nc(-c5ccc6ccccc6c5)nc(-c5ccc6ccccc6c5)n4)c3)cc(-c3ccccn3)n2)nc1.
What is the InChIKey of 2-[3,5-bis(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine?
The InChIKey is LTEJRTDHEOFXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H37N9/c1-3-15-40-29-42(23-21-38(40)13-1)57-66-58(43-24-22-39-14-2-4-16-41(39)30-43)68-59(67-57)48-32-44(46-34-53(49-17-5-9-25-60-49)64-54(35-46)50-18-6-10-26-61-50)31-45(33-48)47-36-55(51-19-7-11-27-62-51)65-56(37-47)52-20-8-12-28-63-52/h1-37H.
What are the key properties of 2-[3,5-bis(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine?
2-[3,5-bis(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine has a molecular weight of 872.01 g/mol, XLogP of 13.55, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine is sourced from PubChem (CID 67984341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).