5-[4-[4-(3-cyanophenyl)phenyl]-3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]-2-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]benzonitrile

C88H54N8 — CID 134320402

About 5-[4-[4-(3-cyanophenyl)phenyl]-3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]-2-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]benzonitrile

5-[4-[4-(3-cyanophenyl)phenyl]-3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]-2-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]benzonitrile (PubChem CID 134320402) has the molecular formula C88H54N8 and a molecular weight of 1223.46 g/mol. Its IUPAC name is 5-[4-[4-(3-cyanophenyl)phenyl]-3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]-2-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]benzonitrile.

Molecular Properties

• Compound Name: 5-[4-[4-(3-cyanophenyl)phenyl]-3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]-2-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]benzonitrile
• PubChem CID: 134320402
• Molecular Formula: C88H54N8
• Molecular Weight: 1223.46 g/mol
• Exact Mass: 1222.45
• IUPAC Name: 5-[4-[4-(3-cyanophenyl)phenyl]-3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]-2-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]benzonitrile
• SMILES: N#Cc1cccc(-c2ccc(-c3c(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)cc(-c4ccc(-c5ccc(-c6c(-c7ccc(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)cc7)ccc7ccccc67)cc5)c(C#N)c4)c4ccccc34)cc2)c1
• InChI: InChI=1S/C88H54N8/c89-55-57-18-17-28-71(52-57)58-32-40-64(41-33-58)82-78-31-16-15-30-77(78)79(54-80(82)62-38-46-70(47-39-62)88-95-85(67-24-9-3-10-25-67)92-86(96-88)68-26-11-4-12-27-68)72-49-50-74(73(53-72)56-90)60-34-42-63(43-35-60)81-75-29-14-13-19-59(75)48-51-76(81)61-36-44-69(45-37-61)87-93-83(65-20-5-1-6-21-65)91-84(94-87)66-22-7-2-8-23-66/h1-54H
• InChIKey: TYBZAQLPOJQEDV-UHFFFAOYSA-N
• XLogP: 21.78
• TPSA: 124.92 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 13
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1223.46
LogP ≤ 5	21.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 5-[4-[4-(3-cyanophenyl)phenyl]-3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]-2-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]benzonitrile (CID 134320402) is 5-[4-[4-(3-cyanophenyl)phenyl]-3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]-2-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]benzonitrile.

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

The canonical SMILES for 5-[4-[4-(3-cyanophenyl)phenyl]-3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]-2-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]benzonitrile is N#Cc1cccc(-c2ccc(-c3c(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)cc(-c4ccc(-c5ccc(-c6c(-c7ccc(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)cc7)ccc7ccccc67)cc5)c(C#N)c4)c4ccccc34)cc2)c1.

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

The InChIKey is TYBZAQLPOJQEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C88H54N8/c89-55-57-18-17-28-71(52-57)58-32-40-64(41-33-58)82-78-31-16-15-30-77(78)79(54-80(82)62-38-46-70(47-39-62)88-95-85(67-24-9-3-10-25-67)92-86(96-88)68-26-11-4-12-27-68)72-49-50-74(73(53-72)56-90)60-34-42-63(43-35-60)81-75-29-14-13-19-59(75)48-51-76(81)61-36-44-69(45-37-61)87-93-83(65-20-5-1-6-21-65)91-84(94-87)66-22-7-2-8-23-66/h1-54H.

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

5-[4-[4-(3-cyanophenyl)phenyl]-3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]-2-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]benzonitrile has a molecular weight of 1223.46 g/mol, XLogP of 21.78, 13 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[4-(3-cyanophenyl)phenyl]-3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]-2-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]benzonitrile is sourced from PubChem (CID 134320402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).