2-(4-methoxyphenyl)-4-[3-[5-[3-[4-(4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphthalen-2-yl]phenyl]-6-phenyl-1,3,5-triazine

C54H38N6O2 — CID 118075203

About 2-(4-methoxyphenyl)-4-[3-[5-[3-[4-(4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphthalen-2-yl]phenyl]-6-phenyl-1,3,5-triazine

2-(4-methoxyphenyl)-4-[3-[5-[3-[4-(4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphthalen-2-yl]phenyl]-6-phenyl-1,3,5-triazine (PubChem CID 118075203) has the molecular formula C54H38N6O2 and a molecular weight of 802.94 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-4-[3-[5-[3-[4-(4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphthalen-2-yl]phenyl]-6-phenyl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-(4-methoxyphenyl)-4-[3-[5-[3-[4-(4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphthalen-2-yl]phenyl]-6-phenyl-1,3,5-triazine
• PubChem CID: 118075203
• Molecular Formula: C54H38N6O2
• Molecular Weight: 802.94 g/mol
• Exact Mass: 802.31
• IUPAC Name: 2-(4-methoxyphenyl)-4-[3-[5-[3-[4-(4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphthalen-2-yl]phenyl]-6-phenyl-1,3,5-triazine
• SMILES: COc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5c(-c6cccc(-c7nc(-c8ccccc8)nc(-c8ccc(OC)cc8)n7)c6)cccc5c4)c3)n2)cc1
• InChI: InChI=1S/C54H38N6O2/c1-61-45-27-22-37(23-28-45)51-55-49(35-12-5-3-6-13-35)57-53(59-51)43-19-9-16-39(33-43)40-26-31-48-41(32-40)18-11-21-47(48)42-17-10-20-44(34-42)54-58-50(36-14-7-4-8-15-36)56-52(60-54)38-24-29-46(62-2)30-25-38/h3-34H,1-2H3
• InChIKey: LWLRFSGEIWYFNE-UHFFFAOYSA-N
• XLogP: 12.56
• TPSA: 95.80 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	802.94
LogP ≤ 5	12.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-4-[3-[5-[3-[4-(4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphthalen-2-yl]phenyl]-6-phenyl-1,3,5-triazine?

The IUPAC name of 2-(4-methoxyphenyl)-4-[3-[5-[3-[4-(4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphthalen-2-yl]phenyl]-6-phenyl-1,3,5-triazine (CID 118075203) is 2-(4-methoxyphenyl)-4-[3-[5-[3-[4-(4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphthalen-2-yl]phenyl]-6-phenyl-1,3,5-triazine.

What is the SMILES notation for 2-(4-methoxyphenyl)-4-[3-[5-[3-[4-(4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphthalen-2-yl]phenyl]-6-phenyl-1,3,5-triazine?

The canonical SMILES for 2-(4-methoxyphenyl)-4-[3-[5-[3-[4-(4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphthalen-2-yl]phenyl]-6-phenyl-1,3,5-triazine is COc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5c(-c6cccc(-c7nc(-c8ccccc8)nc(-c8ccc(OC)cc8)n7)c6)cccc5c4)c3)n2)cc1.

What is the InChIKey of 2-(4-methoxyphenyl)-4-[3-[5-[3-[4-(4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphthalen-2-yl]phenyl]-6-phenyl-1,3,5-triazine?

The InChIKey is LWLRFSGEIWYFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H38N6O2/c1-61-45-27-22-37(23-28-45)51-55-49(35-12-5-3-6-13-35)57-53(59-51)43-19-9-16-39(33-43)40-26-31-48-41(32-40)18-11-21-47(48)42-17-10-20-44(34-42)54-58-50(36-14-7-4-8-15-36)56-52(60-54)38-24-29-46(62-2)30-25-38/h3-34H,1-2H3.

What are the key properties of 2-(4-methoxyphenyl)-4-[3-[5-[3-[4-(4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphthalen-2-yl]phenyl]-6-phenyl-1,3,5-triazine?

2-(4-methoxyphenyl)-4-[3-[5-[3-[4-(4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphthalen-2-yl]phenyl]-6-phenyl-1,3,5-triazine has a molecular weight of 802.94 g/mol, XLogP of 12.56, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-methoxyphenyl)-4-[3-[5-[3-[4-(4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphthalen-2-yl]phenyl]-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 118075203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).