2,4,6-tris[3-(3-pyridin-3-ylphenyl)phenyl]pyrimidine

C55H37N5 — CID 176586529

IUPAC2,4,6-tris[3-(3-pyridin-3-ylphenyl)phenyl]pyrimidine
SMILESc1cncc(-c2cccc(-c3cccc(-c4cc(-c5cccc(-c6cccc(-c7cccnc7)c6)c5)nc(-c5cccc(-c6cccc(-c7cccnc7)c6)c5)n4)c3)c2)c1
InChIInChI=1S/C55H37N5/c1-10-38(28-44(16-1)50-22-7-25-56-35-50)41-13-4-19-47(31-41)53-34-54(48-20-5-14-42(32-48)39-11-2-17-45(29-39)51-23-8-26-57-36-51)60-55(59-53)49-21-6-15-43(33-49)40-12-3-18-46(30-40)52-24-9-27-58-37-52/h1-37H
InChIKeyUKJNDQWKRAHZBB-UHFFFAOYSA-N
MW767.94 g/mol
LogP13.66
Rot. Bonds9

About 2,4,6-tris[3-(3-pyridin-3-ylphenyl)phenyl]pyrimidine

2,4,6-tris[3-(3-pyridin-3-ylphenyl)phenyl]pyrimidine (PubChem CID 176586529) has the molecular formula C55H37N5 and a molecular weight of 767.94 g/mol. Its IUPAC name is 2,4,6-tris[3-(3-pyridin-3-ylphenyl)phenyl]pyrimidine.

Molecular Properties

Compound Name2,4,6-tris[3-(3-pyridin-3-ylphenyl)phenyl]pyrimidine
PubChem CID176586529
Molecular FormulaC55H37N5
Molecular Weight767.94 g/mol
Exact Mass767.30
IUPAC Name2,4,6-tris[3-(3-pyridin-3-ylphenyl)phenyl]pyrimidine
SMILESc1cncc(-c2cccc(-c3cccc(-c4cc(-c5cccc(-c6cccc(-c7cccnc7)c6)c5)nc(-c5cccc(-c6cccc(-c7cccnc7)c6)c5)n4)c3)c2)c1
InChIInChI=1S/C55H37N5/c1-10-38(28-44(16-1)50-22-7-25-56-35-50)41-13-4-19-47(31-41)53-34-54(48-20-5-14-42(32-48)39-11-2-17-45(29-39)51-23-8-26-57-36-51)60-55(59-53)49-21-6-15-43(33-49)40-12-3-18-46(30-40)52-24-9-27-58-37-52/h1-37H
InChIKeyUKJNDQWKRAHZBB-UHFFFAOYSA-N
XLogP13.66
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500767.94
LogP ≤ 513.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2,4,6-tris[3-(3-pyridin-3-ylphenyl)phenyl]pyrimidine 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

4,6-bis(3,5-dipyridin-3-ylphenyl)-2-pyridin-3-ylpyrimidine
CID 102345540
2-[3-(10-phenylanthracen-9-yl)phenyl]-4-(3-phenylphenyl)-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 134194394
4-(4-phenylphenyl)-2-pyridin-4-yl-6-[3-(3-pyridin-3-ylphenyl)phenyl]pyrimidine
CID 130465703
4-(4-phenylphenyl)-6-(3-pyridin-3-ylphenyl)-2-triphenylen-2-ylpyrimidine
CID 121477401
2-(3-anthracen-9-ylphenyl)-4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 135189619
7-[3-[6-phenyl-2-[3-(3-pyridin-3-ylphenyl)phenyl]pyrimidin-4-yl]phenyl]isoquinoline
CID 166974763
2,4-bis(3-pyridin-3-ylphenyl)-6-(3-pyridin-4-ylphenyl)-1,3,5-triazine
CID 153200165
2-(4-naphthalen-2-ylphenyl)-4-(3-phenylphenyl)-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 121477656
2,4-diphenyl-6-[3-[4-(2-phenyl-6-pyridin-3-ylpyrimidin-4-yl)phenyl]phenyl]-1,3,5-triazine;2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-pyridin-3-yl-1,3,5-triazine
CID 163812765
4-methyl-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 121360262
4-pyridin-2-yl-2-pyridin-3-yl-6-[3-[3-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]phenyl]pyrimidine
CID 163783283
4-(3-naphthalen-1-ylphenyl)-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 121477404

Frequently Asked Questions

What is the IUPAC name of 2,4,6-tris[3-(3-pyridin-3-ylphenyl)phenyl]pyrimidine?
The IUPAC name of 2,4,6-tris[3-(3-pyridin-3-ylphenyl)phenyl]pyrimidine (CID 176586529) is 2,4,6-tris[3-(3-pyridin-3-ylphenyl)phenyl]pyrimidine.
What is the SMILES notation for 2,4,6-tris[3-(3-pyridin-3-ylphenyl)phenyl]pyrimidine?
The canonical SMILES for 2,4,6-tris[3-(3-pyridin-3-ylphenyl)phenyl]pyrimidine is c1cncc(-c2cccc(-c3cccc(-c4cc(-c5cccc(-c6cccc(-c7cccnc7)c6)c5)nc(-c5cccc(-c6cccc(-c7cccnc7)c6)c5)n4)c3)c2)c1.
What is the InChIKey of 2,4,6-tris[3-(3-pyridin-3-ylphenyl)phenyl]pyrimidine?
The InChIKey is UKJNDQWKRAHZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H37N5/c1-10-38(28-44(16-1)50-22-7-25-56-35-50)41-13-4-19-47(31-41)53-34-54(48-20-5-14-42(32-48)39-11-2-17-45(29-39)51-23-8-26-57-36-51)60-55(59-53)49-21-6-15-43(33-49)40-12-3-18-46(30-40)52-24-9-27-58-37-52/h1-37H.
What are the key properties of 2,4,6-tris[3-(3-pyridin-3-ylphenyl)phenyl]pyrimidine?
2,4,6-tris[3-(3-pyridin-3-ylphenyl)phenyl]pyrimidine has a molecular weight of 767.94 g/mol, XLogP of 13.66, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tris[3-(3-pyridin-3-ylphenyl)phenyl]pyrimidine is sourced from PubChem (CID 176586529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).