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

C88H54N8 — CID 138750105

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

2-[4-[6-[4-[4-[4-[3-[3-(4-cyanophenyl)phenyl]naphthalen-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]benzonitrile (PubChem CID 138750105) has the molecular formula C88H54N8 and a molecular weight of 1223.46 g/mol. Its IUPAC name is 2-[4-[6-[4-[4-[4-[3-[3-(4-cyanophenyl)phenyl]naphthalen-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]benzonitrile.

Molecular Properties

• Compound Name: 2-[4-[6-[4-[4-[4-[3-[3-(4-cyanophenyl)phenyl]naphthalen-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]benzonitrile
• PubChem CID: 138750105
• Molecular Formula: C88H54N8
• Molecular Weight: 1223.46 g/mol
• Exact Mass: 1222.45
• IUPAC Name: 2-[4-[6-[4-[4-[4-[3-[3-(4-cyanophenyl)phenyl]naphthalen-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]benzonitrile
• SMILES: N#Cc1ccc(-c2cccc(-c3cc4ccccc4cc3-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccc(-c6ccc7cc(-c8ccc(-c9ccccc9C#N)cc8)c(-c8ccc(-c9nc(-c%10ccccc%10)nc(-c%10ccccc%10)n9)cc8)cc7c6)cc5)n4)cc3)c2)cc1
• InChI: InChI=1S/C88H54N8/c89-55-57-27-29-58(30-28-57)70-24-14-25-75(49-70)82-52-72-22-11-10-21-71(72)51-80(82)62-37-43-69(44-38-62)88-95-85(66-19-8-3-9-20-66)94-86(96-88)67-41-31-59(32-42-67)73-47-48-74-53-79(61-35-33-60(34-36-61)78-26-13-12-23-76(78)56-90)81(54-77(74)50-73)63-39-45-68(46-40-63)87-92-83(64-15-4-1-5-16-64)91-84(93-87)65-17-6-2-7-18-65/h1-54H
• InChIKey: ZPXXJKHJKLKTCT-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 2-[4-[6-[4-[4-[4-[3-[3-(4-cyanophenyl)phenyl]naphthalen-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]benzonitrile?

The IUPAC name of 2-[4-[6-[4-[4-[4-[3-[3-(4-cyanophenyl)phenyl]naphthalen-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]benzonitrile (CID 138750105) is 2-[4-[6-[4-[4-[4-[3-[3-(4-cyanophenyl)phenyl]naphthalen-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]benzonitrile.

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

The canonical SMILES for 2-[4-[6-[4-[4-[4-[3-[3-(4-cyanophenyl)phenyl]naphthalen-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]benzonitrile is N#Cc1ccc(-c2cccc(-c3cc4ccccc4cc3-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccc(-c6ccc7cc(-c8ccc(-c9ccccc9C#N)cc8)c(-c8ccc(-c9nc(-c%10ccccc%10)nc(-c%10ccccc%10)n9)cc8)cc7c6)cc5)n4)cc3)c2)cc1.

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

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

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

2-[4-[6-[4-[4-[4-[3-[3-(4-cyanophenyl)phenyl]naphthalen-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-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 2-[4-[6-[4-[4-[4-[3-[3-(4-cyanophenyl)phenyl]naphthalen-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]benzonitrile is sourced from PubChem (CID 138750105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).