2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine

C104H68N6 — CID 164975629

About 2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine

2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine (PubChem CID 164975629) has the molecular formula C104H68N6 and a molecular weight of 1401.73 g/mol. Its IUPAC name is 2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
• PubChem CID: 164975629
• Molecular Formula: C104H68N6
• Molecular Weight: 1401.73 g/mol
• Exact Mass: 1400.55
• IUPAC Name: 2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
• SMILES: c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4cccc(-c5ccc6cc(-c7ccc8ccccc8c7)ccc6c5)c4)n3)cc2)cc1.c1ccc(-c2nc(-c3cccc(-c4ccc5cc(-c6ccc7ccccc7c6)ccc5c4)c3)nc(-c3ccc(-c4ccccc4)c4ccccc34)n2)cc1
• InChI: InChI=1S/C53H35N3.C51H33N3/c1-3-10-36(11-4-1)39-18-23-41(24-19-39)51-54-52(42-25-20-40(21-26-42)37-12-5-2-6-13-37)56-53(55-51)50-17-9-16-44(35-50)45-28-29-49-34-48(31-30-47(49)33-45)46-27-22-38-14-7-8-15-43(38)32-46;1-3-13-35(14-4-1)45-28-29-48(47-21-10-9-20-46(45)47)51-53-49(36-15-5-2-6-16-36)52-50(54-51)44-19-11-18-38(33-44)39-24-25-43-32-42(27-26-41(43)31-39)40-23-22-34-12-7-8-17-37(34)30-40/h1-35H;1-33H
• InChIKey: DSTSLKZQQXBZTG-UHFFFAOYSA-N
• XLogP: 27.18
• TPSA: 77.34 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 13
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1401.73
LogP ≤ 5	27.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine?

The IUPAC name of 2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine (CID 164975629) is 2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine.

What is the SMILES notation for 2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine?

The canonical SMILES for 2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine is c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4cccc(-c5ccc6cc(-c7ccc8ccccc8c7)ccc6c5)c4)n3)cc2)cc1.c1ccc(-c2nc(-c3cccc(-c4ccc5cc(-c6ccc7ccccc7c6)ccc5c4)c3)nc(-c3ccc(-c4ccccc4)c4ccccc34)n2)cc1.

What is the InChIKey of 2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine?

The InChIKey is DSTSLKZQQXBZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H35N3.C51H33N3/c1-3-10-36(11-4-1)39-18-23-41(24-19-39)51-54-52(42-25-20-40(21-26-42)37-12-5-2-6-13-37)56-53(55-51)50-17-9-16-44(35-50)45-28-29-49-34-48(31-30-47(49)33-45)46-27-22-38-14-7-8-15-43(38)32-46;1-3-13-35(14-4-1)45-28-29-48(47-21-10-9-20-46(45)47)51-53-49(36-15-5-2-6-16-36)52-50(54-51)44-19-11-18-38(33-44)39-24-25-43-32-42(27-26-41(43)31-39)40-23-22-34-12-7-8-17-37(34)30-40/h1-35H;1-33H.

What are the key properties of 2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine?

2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine has a molecular weight of 1401.73 g/mol, XLogP of 27.18, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine is sourced from PubChem (CID 164975629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).