2-[3-(4-methylphenyl)-5-(3-pyridin-2-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(4-methylphenyl)-5-(3-pyridin-3-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(4-methylphenyl)-5-(3-pyridin-4-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine

C117H84N12 — CID 157130856

IUPAC2-[3-(4-methylphenyl)-5-(3-pyridin-2-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(4-methylphenyl)-5-(3-pyridin-3-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(4-methylphenyl)-5-(3-pyridin-4-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESCc1ccc(-c2cc(-c3cccc(-c4ccccn4)c3)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc1.Cc1ccc(-c2cc(-c3cccc(-c4cccnc4)c3)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc1.Cc1ccc(-c2cc(-c3cccc(-c4ccncc4)c3)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc1
InChIInChI=1S/3C39H28N4/c1-27-17-19-28(20-18-27)34-23-35(32-15-8-14-31(22-32)33-16-9-21-40-26-33)25-36(24-34)39-42-37(29-10-4-2-5-11-29)41-38(43-39)30-12-6-3-7-13-30;1-27-18-20-28(21-19-27)33-24-34(31-15-10-16-32(23-31)36-17-8-9-22-40-36)26-35(25-33)39-42-37(29-11-4-2-5-12-29)41-38(43-39)30-13-6-3-7-14-30;1-27-15-17-28(18-16-27)34-24-35(33-14-8-13-32(23-33)29-19-21-40-22-20-29)26-36(25-34)39-42-37(30-9-4-2-5-10-30)41-38(43-39)31-11-6-3-7-12-31/h3*2-26H,1H3
InChIKeyAJBCZXLVTPSKOV-UHFFFAOYSA-N
MW1658.04 g/mol
LogP28.73
Rot. Bonds18

About 2-[3-(4-methylphenyl)-5-(3-pyridin-2-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(4-methylphenyl)-5-(3-pyridin-3-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(4-methylphenyl)-5-(3-pyridin-4-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine

2-[3-(4-methylphenyl)-5-(3-pyridin-2-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(4-methylphenyl)-5-(3-pyridin-3-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(4-methylphenyl)-5-(3-pyridin-4-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 157130856) has the molecular formula C117H84N12 and a molecular weight of 1658.04 g/mol. Its IUPAC name is 2-[3-(4-methylphenyl)-5-(3-pyridin-2-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(4-methylphenyl)-5-(3-pyridin-3-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(4-methylphenyl)-5-(3-pyridin-4-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[3-(4-methylphenyl)-5-(3-pyridin-2-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(4-methylphenyl)-5-(3-pyridin-3-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(4-methylphenyl)-5-(3-pyridin-4-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
PubChem CID157130856
Molecular FormulaC117H84N12
Molecular Weight1658.04 g/mol
Exact Mass1656.69
IUPAC Name2-[3-(4-methylphenyl)-5-(3-pyridin-2-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(4-methylphenyl)-5-(3-pyridin-3-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(4-methylphenyl)-5-(3-pyridin-4-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESCc1ccc(-c2cc(-c3cccc(-c4ccccn4)c3)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc1.Cc1ccc(-c2cc(-c3cccc(-c4cccnc4)c3)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc1.Cc1ccc(-c2cc(-c3cccc(-c4ccncc4)c3)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc1
InChIInChI=1S/3C39H28N4/c1-27-17-19-28(20-18-27)34-23-35(32-15-8-14-31(22-32)33-16-9-21-40-26-33)25-36(24-34)39-42-37(29-10-4-2-5-11-29)41-38(43-39)30-12-6-3-7-13-30;1-27-18-20-28(21-19-27)33-24-34(31-15-10-16-32(23-31)36-17-8-9-22-40-36)26-35(25-33)39-42-37(29-11-4-2-5-12-29)41-38(43-39)30-13-6-3-7-14-30;1-27-15-17-28(18-16-27)34-24-35(33-14-8-13-32(23-33)29-19-21-40-22-20-29)26-36(25-34)39-42-37(30-9-4-2-5-10-30)41-38(43-39)31-11-6-3-7-12-31/h3*2-26H,1H3
InChIKeyAJBCZXLVTPSKOV-UHFFFAOYSA-N
XLogP28.73
TPSA154.68 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds18
Heavy Atoms129
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001658.04
LogP ≤ 528.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 2-[3-(4-methylphenyl)-5-(3-pyridin-2-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(4-methylphenyl)-5-(3-pyridin-3-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(4-methylphenyl)-5-(3-pyridin-4-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine with MolForge

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Related Compounds

6-(4-methylphenyl)-7-[4-[(E)-2-pyridin-2-ylethenyl]phenyl]pyrido[2,3-d]pyrimidin-4-amine
CID 10273318
4-Pyridin-3-yl-2-pyridin-4-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine
CID 3431450
N,N-dimethyl-2-[4-[6-[(4-propan-2-ylphenyl)methyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanamine
CID 127041889
4-(4-Piperidin-1-ylpiperidin-1-yl)-6-pyridin-3-yl-2-pyridin-4-ylpyrimidine
CID 155568156
4-(4-Benzylpiperazin-1-yl)-2-phenyl-6-(5-phenylpyridin-3-yl)pyrimidine
CID 4069661
N-(1-benzylpiperidin-4-yl)-6-[5-(4-methylphenyl)-3-pyridinyl]-2-phenylpyrimidin-4-amine
CID 3383705
2,4,6-Tris(3-(3-pyridyl)phenyl)-1,3,5-triazine
CID 101523658
2-(4-Benzylpiperazin-1-yl)-4-(4-methylphenyl)-6-pyridin-4-ylpyrimidine
CID 44399464
4-(4-Methylphenyl)-2-(4-phenylpiperazin-1-yl)-6-pyridin-4-ylpyrimidine
CID 44399477
2-(4-Benzylpiperazin-1-yl)-4-(3,4-dimethylphenyl)-6-pyridin-4-ylpyrimidine
CID 44399519
4-(3,4-Dimethylphenyl)-2-(4-phenylpiperazin-1-yl)-6-pyridin-4-ylpyrimidine
CID 44399569
2-Methyl-5-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-4-pyridin-3-ylpyrimidine
CID 118741438

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methylphenyl)-5-(3-pyridin-2-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(4-methylphenyl)-5-(3-pyridin-3-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(4-methylphenyl)-5-(3-pyridin-4-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[3-(4-methylphenyl)-5-(3-pyridin-2-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(4-methylphenyl)-5-(3-pyridin-3-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(4-methylphenyl)-5-(3-pyridin-4-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine (CID 157130856) is 2-[3-(4-methylphenyl)-5-(3-pyridin-2-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(4-methylphenyl)-5-(3-pyridin-3-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(4-methylphenyl)-5-(3-pyridin-4-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[3-(4-methylphenyl)-5-(3-pyridin-2-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(4-methylphenyl)-5-(3-pyridin-3-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(4-methylphenyl)-5-(3-pyridin-4-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[3-(4-methylphenyl)-5-(3-pyridin-2-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(4-methylphenyl)-5-(3-pyridin-3-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(4-methylphenyl)-5-(3-pyridin-4-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine is Cc1ccc(-c2cc(-c3cccc(-c4ccccn4)c3)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc1.Cc1ccc(-c2cc(-c3cccc(-c4cccnc4)c3)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc1.Cc1ccc(-c2cc(-c3cccc(-c4ccncc4)c3)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc1.
What is the InChIKey of 2-[3-(4-methylphenyl)-5-(3-pyridin-2-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(4-methylphenyl)-5-(3-pyridin-3-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(4-methylphenyl)-5-(3-pyridin-4-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is AJBCZXLVTPSKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/3C39H28N4/c1-27-17-19-28(20-18-27)34-23-35(32-15-8-14-31(22-32)33-16-9-21-40-26-33)25-36(24-34)39-42-37(29-10-4-2-5-11-29)41-38(43-39)30-12-6-3-7-13-30;1-27-18-20-28(21-19-27)33-24-34(31-15-10-16-32(23-31)36-17-8-9-22-40-36)26-35(25-33)39-42-37(29-11-4-2-5-12-29)41-38(43-39)30-13-6-3-7-14-30;1-27-15-17-28(18-16-27)34-24-35(33-14-8-13-32(23-33)29-19-21-40-22-20-29)26-36(25-34)39-42-37(30-9-4-2-5-10-30)41-38(43-39)31-11-6-3-7-12-31/h3*2-26H,1H3.
What are the key properties of 2-[3-(4-methylphenyl)-5-(3-pyridin-2-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(4-methylphenyl)-5-(3-pyridin-3-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(4-methylphenyl)-5-(3-pyridin-4-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine?
2-[3-(4-methylphenyl)-5-(3-pyridin-2-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(4-methylphenyl)-5-(3-pyridin-3-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(4-methylphenyl)-5-(3-pyridin-4-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 1658.04 g/mol, XLogP of 28.73, 18 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methylphenyl)-5-(3-pyridin-2-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(4-methylphenyl)-5-(3-pyridin-3-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(4-methylphenyl)-5-(3-pyridin-4-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 157130856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).