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

C150H108N12 — CID 162132064

IUPAC2-[3-(4-methylphenyl)-5-naphthalen-1-ylphenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(4-methylphenyl)-5-naphthalen-2-ylphenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(4-methylphenyl)-5-phenylphenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(4-methylphenyl)-5-(4-phenylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESCc1ccc(-c2cc(-c3ccc(-c4ccccc4)cc3)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc1.Cc1ccc(-c2cc(-c3ccc4ccccc4c3)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc1.Cc1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc1.Cc1ccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-c3cccc4ccccc34)c2)cc1
InChIInChI=1S/C40H29N3.2C38H27N3.C34H25N3/c1-28-17-19-31(20-18-28)35-25-36(32-23-21-30(22-24-32)29-11-5-2-6-12-29)27-37(26-35)40-42-38(33-13-7-3-8-14-33)41-39(43-40)34-15-9-4-10-16-34;1-26-19-21-27(22-20-26)31-23-32(35-18-10-16-28-11-8-9-17-34(28)35)25-33(24-31)38-40-36(29-12-4-2-5-13-29)39-37(41-38)30-14-6-3-7-15-30;1-26-16-18-28(19-17-26)33-23-34(32-21-20-27-10-8-9-15-31(27)22-32)25-35(24-33)38-40-36(29-11-4-2-5-12-29)39-37(41-38)30-13-6-3-7-14-30;1-24-17-19-26(20-18-24)30-21-29(25-11-5-2-6-12-25)22-31(23-30)34-36-32(27-13-7-3-8-14-27)35-33(37-34)28-15-9-4-10-16-28/h2-27H,1H3;2*2-25H,1H3;2-23H,1H3
InChIKeyZIUDWEGEOHBFNT-UHFFFAOYSA-N
MW2078.60 g/mol
LogP38.03
Rot. Bonds21

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

2-[3-(4-methylphenyl)-5-naphthalen-1-ylphenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(4-methylphenyl)-5-naphthalen-2-ylphenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(4-methylphenyl)-5-phenylphenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(4-methylphenyl)-5-(4-phenylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 162132064) has the molecular formula C150H108N12 and a molecular weight of 2078.60 g/mol. Its IUPAC name is 2-[3-(4-methylphenyl)-5-naphthalen-1-ylphenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(4-methylphenyl)-5-naphthalen-2-ylphenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(4-methylphenyl)-5-phenylphenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(4-methylphenyl)-5-(4-phenylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[3-(4-methylphenyl)-5-naphthalen-1-ylphenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(4-methylphenyl)-5-naphthalen-2-ylphenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(4-methylphenyl)-5-phenylphenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(4-methylphenyl)-5-(4-phenylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
PubChem CID162132064
Molecular FormulaC150H108N12
Molecular Weight2078.60 g/mol
Exact Mass2076.88
IUPAC Name2-[3-(4-methylphenyl)-5-naphthalen-1-ylphenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(4-methylphenyl)-5-naphthalen-2-ylphenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(4-methylphenyl)-5-phenylphenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(4-methylphenyl)-5-(4-phenylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESCc1ccc(-c2cc(-c3ccc(-c4ccccc4)cc3)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc1.Cc1ccc(-c2cc(-c3ccc4ccccc4c3)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc1.Cc1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc1.Cc1ccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-c3cccc4ccccc34)c2)cc1
InChIInChI=1S/C40H29N3.2C38H27N3.C34H25N3/c1-28-17-19-31(20-18-28)35-25-36(32-23-21-30(22-24-32)29-11-5-2-6-12-29)27-37(26-35)40-42-38(33-13-7-3-8-14-33)41-39(43-40)34-15-9-4-10-16-34;1-26-19-21-27(22-20-26)31-23-32(35-18-10-16-28-11-8-9-17-34(28)35)25-33(24-31)38-40-36(29-12-4-2-5-13-29)39-37(41-38)30-14-6-3-7-15-30;1-26-16-18-28(19-17-26)33-23-34(32-21-20-27-10-8-9-15-31(27)22-32)25-35(24-33)38-40-36(29-11-4-2-5-12-29)39-37(41-38)30-13-6-3-7-14-30;1-24-17-19-26(20-18-24)30-21-29(25-11-5-2-6-12-25)22-31(23-30)34-36-32(27-13-7-3-8-14-27)35-33(37-34)28-15-9-4-10-16-28/h2-27H,1H3;2*2-25H,1H3;2-23H,1H3
InChIKeyZIUDWEGEOHBFNT-UHFFFAOYSA-N
XLogP38.03
TPSA154.68 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds21
Heavy Atoms162
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002078.60
LogP ≤ 538.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methylphenyl)-5-naphthalen-1-ylphenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(4-methylphenyl)-5-naphthalen-2-ylphenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(4-methylphenyl)-5-phenylphenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(4-methylphenyl)-5-(4-phenylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[3-(4-methylphenyl)-5-naphthalen-1-ylphenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(4-methylphenyl)-5-naphthalen-2-ylphenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(4-methylphenyl)-5-phenylphenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(4-methylphenyl)-5-(4-phenylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine (CID 162132064) is 2-[3-(4-methylphenyl)-5-naphthalen-1-ylphenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(4-methylphenyl)-5-naphthalen-2-ylphenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(4-methylphenyl)-5-phenylphenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(4-methylphenyl)-5-(4-phenylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[3-(4-methylphenyl)-5-naphthalen-1-ylphenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(4-methylphenyl)-5-naphthalen-2-ylphenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(4-methylphenyl)-5-phenylphenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(4-methylphenyl)-5-(4-phenylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[3-(4-methylphenyl)-5-naphthalen-1-ylphenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(4-methylphenyl)-5-naphthalen-2-ylphenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(4-methylphenyl)-5-phenylphenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(4-methylphenyl)-5-(4-phenylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine is Cc1ccc(-c2cc(-c3ccc(-c4ccccc4)cc3)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc1.Cc1ccc(-c2cc(-c3ccc4ccccc4c3)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc1.Cc1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc1.Cc1ccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-c3cccc4ccccc34)c2)cc1.
What is the InChIKey of 2-[3-(4-methylphenyl)-5-naphthalen-1-ylphenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(4-methylphenyl)-5-naphthalen-2-ylphenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(4-methylphenyl)-5-phenylphenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(4-methylphenyl)-5-(4-phenylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is ZIUDWEGEOHBFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H29N3.2C38H27N3.C34H25N3/c1-28-17-19-31(20-18-28)35-25-36(32-23-21-30(22-24-32)29-11-5-2-6-12-29)27-37(26-35)40-42-38(33-13-7-3-8-14-33)41-39(43-40)34-15-9-4-10-16-34;1-26-19-21-27(22-20-26)31-23-32(35-18-10-16-28-11-8-9-17-34(28)35)25-33(24-31)38-40-36(29-12-4-2-5-13-29)39-37(41-38)30-14-6-3-7-15-30;1-26-16-18-28(19-17-26)33-23-34(32-21-20-27-10-8-9-15-31(27)22-32)25-35(24-33)38-40-36(29-11-4-2-5-12-29)39-37(41-38)30-13-6-3-7-14-30;1-24-17-19-26(20-18-24)30-21-29(25-11-5-2-6-12-25)22-31(23-30)34-36-32(27-13-7-3-8-14-27)35-33(37-34)28-15-9-4-10-16-28/h2-27H,1H3;2*2-25H,1H3;2-23H,1H3.
What are the key properties of 2-[3-(4-methylphenyl)-5-naphthalen-1-ylphenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(4-methylphenyl)-5-naphthalen-2-ylphenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(4-methylphenyl)-5-phenylphenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(4-methylphenyl)-5-(4-phenylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine?
2-[3-(4-methylphenyl)-5-naphthalen-1-ylphenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(4-methylphenyl)-5-naphthalen-2-ylphenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(4-methylphenyl)-5-phenylphenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(4-methylphenyl)-5-(4-phenylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 2078.60 g/mol, XLogP of 38.03, 21 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-naphthalen-1-ylphenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(4-methylphenyl)-5-naphthalen-2-ylphenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(4-methylphenyl)-5-phenylphenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(4-methylphenyl)-5-(4-phenylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 162132064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).