4,6-diphenylpyrimidine;2,4-diphenyl-1,3,5-triazine;bis(2-phenylpyrimidine);bis(pyridine);pyrimidine;2,4,6-triphenylpyrimidine;2,4,6-triphenyl-1,3,5-triazine

C108H84N18 — CID 167595892

IUPAC4,6-diphenylpyrimidine;2,4-diphenyl-1,3,5-triazine;bis(2-phenylpyrimidine);bis(pyridine);pyrimidine;2,4,6-triphenylpyrimidine;2,4,6-triphenyl-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)ncn2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2ncccn2)cc1.c1ccc(-c2ncccn2)cc1.c1ccc(-c2ncnc(-c3ccccc3)n2)cc1.c1ccncc1.c1ccncc1.c1cncnc1
InChIInChI=1S/C22H16N2.C21H15N3.C16H12N2.C15H11N3.2C10H8N2.2C5H5N.C4H4N2/c1-4-10-17(11-5-1)20-16-21(18-12-6-2-7-13-18)24-22(23-20)19-14-8-3-9-15-19;1-4-10-16(11-5-1)19-22-20(17-12-6-2-7-13-17)24-21(23-19)18-14-8-3-9-15-18;1-3-7-13(8-4-1)15-11-16(18-12-17-15)14-9-5-2-6-10-14;1-3-7-12(8-4-1)14-16-11-17-15(18-14)13-9-5-2-6-10-13;2*1-2-5-9(6-3-1)10-11-7-4-8-12-10;2*1-2-4-6-5-3-1;1-2-5-4-6-3-1/h1-16H;1-15H;1-12H;1-11H;2*1-8H;2*1-5H;1-4H
InChIKeyJBHDWYQFWRAKSS-UHFFFAOYSA-N
MW1633.99 g/mol
LogP24.29
Rot. Bonds12

About 4,6-diphenylpyrimidine;2,4-diphenyl-1,3,5-triazine;bis(2-phenylpyrimidine);bis(pyridine);pyrimidine;2,4,6-triphenylpyrimidine;2,4,6-triphenyl-1,3,5-triazine

4,6-diphenylpyrimidine;2,4-diphenyl-1,3,5-triazine;bis(2-phenylpyrimidine);bis(pyridine);pyrimidine;2,4,6-triphenylpyrimidine;2,4,6-triphenyl-1,3,5-triazine (PubChem CID 167595892) has the molecular formula C108H84N18 and a molecular weight of 1633.99 g/mol. Its IUPAC name is 4,6-diphenylpyrimidine;2,4-diphenyl-1,3,5-triazine;bis(2-phenylpyrimidine);bis(pyridine);pyrimidine;2,4,6-triphenylpyrimidine;2,4,6-triphenyl-1,3,5-triazine.

Molecular Properties

Compound Name4,6-diphenylpyrimidine;2,4-diphenyl-1,3,5-triazine;bis(2-phenylpyrimidine);bis(pyridine);pyrimidine;2,4,6-triphenylpyrimidine;2,4,6-triphenyl-1,3,5-triazine
PubChem CID167595892
Molecular FormulaC108H84N18
Molecular Weight1633.99 g/mol
Exact Mass1632.71
IUPAC Name4,6-diphenylpyrimidine;2,4-diphenyl-1,3,5-triazine;bis(2-phenylpyrimidine);bis(pyridine);pyrimidine;2,4,6-triphenylpyrimidine;2,4,6-triphenyl-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)ncn2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2ncccn2)cc1.c1ccc(-c2ncccn2)cc1.c1ccc(-c2ncnc(-c3ccccc3)n2)cc1.c1ccncc1.c1ccncc1.c1cncnc1
InChIInChI=1S/C22H16N2.C21H15N3.C16H12N2.C15H11N3.2C10H8N2.2C5H5N.C4H4N2/c1-4-10-17(11-5-1)20-16-21(18-12-6-2-7-13-18)24-22(23-20)19-14-8-3-9-15-19;1-4-10-16(11-5-1)19-22-20(17-12-6-2-7-13-17)24-21(23-19)18-14-8-3-9-15-18;1-3-7-13(8-4-1)15-11-16(18-12-17-15)14-9-5-2-6-10-14;1-3-7-12(8-4-1)14-16-11-17-15(18-14)13-9-5-2-6-10-13;2*1-2-5-9(6-3-1)10-11-7-4-8-12-10;2*1-2-4-6-5-3-1;1-2-5-4-6-3-1/h1-16H;1-15H;1-12H;1-11H;2*1-8H;2*1-5H;1-4H
InChIKeyJBHDWYQFWRAKSS-UHFFFAOYSA-N
XLogP24.29
TPSA232.02 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds12
Heavy Atoms126
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001633.99
LogP ≤ 524.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 4,6-diphenylpyrimidine;2,4-diphenyl-1,3,5-triazine;bis(2-phenylpyrimidine);bis(pyridine);pyrimidine;2,4,6-triphenylpyrimidine;2,4,6-triphenyl-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-phenyl-4-[4-[4-(6-phenylpyrimidin-4-yl)phenyl]phenyl]pyrimidine
CID 155006921
4-[3-[3-(3,5-diphenylphenyl)phenyl]-5-phenylphenyl]-2,6-diphenylpyridine;2-[3-[3-(3,5-diphenylphenyl)phenyl]-5-phenylphenyl]-4,6-diphenylpyrimidine;2-[3-[3-(3,5-diphenylphenyl)phenyl]-5-phenylphenyl]-4,6-diphenyl-1,3,5-triazine;2,6-diphenyl-4-[3-phenyl-5-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]pyridine;4,6-diphenyl-2-[3-phenyl-5-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]pyrimidine;2,4-diphenyl-6-[3-phenyl-5-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazine;2-phenyl-4-[3-phenyl-5-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazine;4-[3-[3-phenyl-5-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]-5-pyridin-4-ylphenyl]pyridine
CID 160785315
2,4-diphenyl-6-pyridin-2-ylpyrimidine
CID 126746872
2-phenyl-4-(4-phenylphenyl)-6-(3-pyrimidin-2-ylphenyl)pyrimidine
CID 137433530
4,6-diphenyl-2-[3-(4-pyridin-2-ylphenyl)-5-(4-pyrimidin-2-ylphenyl)phenyl]pyrimidine
CID 129292650
4,6-bis(3-phenylphenyl)-2-(3-triphenylen-2-ylphenyl)pyrimidine;2,4-bis(3-phenylphenyl)-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine;2,4-diphenyl-6-triphenylen-2-ylpyrimidine;4,6-diphenyl-2-triphenylen-2-ylpyrimidine;4-(3-phenylphenyl)-2-triphenylen-2-ylpyrimidine;4-(3-phenylphenyl)-6-triphenylen-2-ylpyrimidine;2-(3-phenylphenyl)-4-triphenylen-2-yl-1,3,5-triazine
CID 162018745
2-phenyl-4-(4-pyridin-4-ylphenyl)-6-[4-(4-pyridin-4-ylphenyl)phenyl]pyrimidine
CID 121289840
2-phenyl-4-(4-pyridin-4-ylphenyl)-1,3,5-triazine
CID 149165836
4-[3-[3-(3,5-diphenylphenyl)phenyl]-5-phenylphenyl]-2,6-diphenylpyridine;2-[3-[3-(3,5-diphenylphenyl)phenyl]-5-phenylphenyl]-4,6-diphenylpyrimidine;2-[3-[3-(3,5-diphenylphenyl)phenyl]-5-phenylphenyl]-4,6-diphenyl-1,3,5-triazine;2,6-diphenyl-4-[3-phenyl-5-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]pyridine;4,6-diphenyl-2-[3-phenyl-5-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]pyrimidine;2,4-diphenyl-6-[3-phenyl-5-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazine;2-phenyl-4-[3-phenyl-5-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]pyrimidine;2-phenyl-4-[3-phenyl-5-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazine
CID 167686674
2-phenyl-4-(3-phenyl-5-pyridin-4-ylphenyl)-1,3,5-triazine
CID 146569234
4,6-diphenylpyrimidine;iridium(3+)
CID 160559843
2,6-diphenyl-4-(3-triphenylen-2-ylphenyl)pyridine;4,6-diphenyl-2-(3-triphenylen-2-ylphenyl)pyrimidine;2-phenyl-4-triphenylen-2-ylpyrimidine;2-phenyl-4-triphenylen-2-yl-1,3,5-triazine;2-pyridin-4-yl-4-triphenylen-2-ylpyrimidine;2-(3-triphenylen-2-ylphenyl)pyridine
CID 157313426

Frequently Asked Questions

What is the IUPAC name of 4,6-diphenylpyrimidine;2,4-diphenyl-1,3,5-triazine;bis(2-phenylpyrimidine);bis(pyridine);pyrimidine;2,4,6-triphenylpyrimidine;2,4,6-triphenyl-1,3,5-triazine?
The IUPAC name of 4,6-diphenylpyrimidine;2,4-diphenyl-1,3,5-triazine;bis(2-phenylpyrimidine);bis(pyridine);pyrimidine;2,4,6-triphenylpyrimidine;2,4,6-triphenyl-1,3,5-triazine (CID 167595892) is 4,6-diphenylpyrimidine;2,4-diphenyl-1,3,5-triazine;bis(2-phenylpyrimidine);bis(pyridine);pyrimidine;2,4,6-triphenylpyrimidine;2,4,6-triphenyl-1,3,5-triazine.
What is the SMILES notation for 4,6-diphenylpyrimidine;2,4-diphenyl-1,3,5-triazine;bis(2-phenylpyrimidine);bis(pyridine);pyrimidine;2,4,6-triphenylpyrimidine;2,4,6-triphenyl-1,3,5-triazine?
The canonical SMILES for 4,6-diphenylpyrimidine;2,4-diphenyl-1,3,5-triazine;bis(2-phenylpyrimidine);bis(pyridine);pyrimidine;2,4,6-triphenylpyrimidine;2,4,6-triphenyl-1,3,5-triazine is c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)ncn2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2ncccn2)cc1.c1ccc(-c2ncccn2)cc1.c1ccc(-c2ncnc(-c3ccccc3)n2)cc1.c1ccncc1.c1ccncc1.c1cncnc1.
What is the InChIKey of 4,6-diphenylpyrimidine;2,4-diphenyl-1,3,5-triazine;bis(2-phenylpyrimidine);bis(pyridine);pyrimidine;2,4,6-triphenylpyrimidine;2,4,6-triphenyl-1,3,5-triazine?
The InChIKey is JBHDWYQFWRAKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2.C21H15N3.C16H12N2.C15H11N3.2C10H8N2.2C5H5N.C4H4N2/c1-4-10-17(11-5-1)20-16-21(18-12-6-2-7-13-18)24-22(23-20)19-14-8-3-9-15-19;1-4-10-16(11-5-1)19-22-20(17-12-6-2-7-13-17)24-21(23-19)18-14-8-3-9-15-18;1-3-7-13(8-4-1)15-11-16(18-12-17-15)14-9-5-2-6-10-14;1-3-7-12(8-4-1)14-16-11-17-15(18-14)13-9-5-2-6-10-13;2*1-2-5-9(6-3-1)10-11-7-4-8-12-10;2*1-2-4-6-5-3-1;1-2-5-4-6-3-1/h1-16H;1-15H;1-12H;1-11H;2*1-8H;2*1-5H;1-4H.
What are the key properties of 4,6-diphenylpyrimidine;2,4-diphenyl-1,3,5-triazine;bis(2-phenylpyrimidine);bis(pyridine);pyrimidine;2,4,6-triphenylpyrimidine;2,4,6-triphenyl-1,3,5-triazine?
4,6-diphenylpyrimidine;2,4-diphenyl-1,3,5-triazine;bis(2-phenylpyrimidine);bis(pyridine);pyrimidine;2,4,6-triphenylpyrimidine;2,4,6-triphenyl-1,3,5-triazine has a molecular weight of 1633.99 g/mol, XLogP of 24.29, 12 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diphenylpyrimidine;2,4-diphenyl-1,3,5-triazine;bis(2-phenylpyrimidine);bis(pyridine);pyrimidine;2,4,6-triphenylpyrimidine;2,4,6-triphenyl-1,3,5-triazine is sourced from PubChem (CID 167595892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).