4-[9-[3-[3-[3-[3-(2,4-dicyanophenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile

C88H50N12 — CID 166900277

About 4-[9-[3-[3-[3-[3-(2,4-dicyanophenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile

4-[9-[3-[3-[3-[3-(2,4-dicyanophenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile (PubChem CID 166900277) has the molecular formula C88H50N12 and a molecular weight of 1275.45 g/mol. Its IUPAC name is 4-[9-[3-[3-[3-[3-(2,4-dicyanophenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile.

Molecular Properties

• Compound Name: 4-[9-[3-[3-[3-[3-(2,4-dicyanophenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
• PubChem CID: 166900277
• Molecular Formula: C88H50N12
• Molecular Weight: 1275.45 g/mol
• Exact Mass: 1274.43
• IUPAC Name: 4-[9-[3-[3-[3-[3-(2,4-dicyanophenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
• SMILES: N#Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3cccc(-c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc(-n5c6ccccc6c6cc(-c7ccc(C#N)cc7C#N)ccc65)c4)c3)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)c(C#N)c1
• InChI: InChI=1S/C88H50N12/c89-51-55-32-36-73(69(40-55)53-91)63-34-38-81-77(49-63)75-28-13-15-30-79(75)99(81)71-45-65(43-67(47-71)87-95-83(57-18-5-1-6-19-57)93-84(96-87)58-20-7-2-8-21-58)61-26-17-27-62(42-61)66-44-68(88-97-85(59-22-9-3-10-23-59)94-86(98-88)60-24-11-4-12-25-60)48-72(46-66)100-80-31-16-14-29-76(80)78-50-64(35-39-82(78)100)74-37-33-56(52-90)41-70(74)54-92/h1-50H
• InChIKey: WZXRFFNRJAGJDN-UHFFFAOYSA-N
• XLogP: 20.41
• TPSA: 182.36 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1275.45
LogP ≤ 5	20.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 4-[9-[3-[3-[3-[3-(2,4-dicyanophenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile?

The IUPAC name of 4-[9-[3-[3-[3-[3-(2,4-dicyanophenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile (CID 166900277) is 4-[9-[3-[3-[3-[3-(2,4-dicyanophenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile.

What is the SMILES notation for 4-[9-[3-[3-[3-[3-(2,4-dicyanophenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile?

The canonical SMILES for 4-[9-[3-[3-[3-[3-(2,4-dicyanophenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile is N#Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3cccc(-c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc(-n5c6ccccc6c6cc(-c7ccc(C#N)cc7C#N)ccc65)c4)c3)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)c(C#N)c1.

What is the InChIKey of 4-[9-[3-[3-[3-[3-(2,4-dicyanophenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile?

The InChIKey is WZXRFFNRJAGJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C88H50N12/c89-51-55-32-36-73(69(40-55)53-91)63-34-38-81-77(49-63)75-28-13-15-30-79(75)99(81)71-45-65(43-67(47-71)87-95-83(57-18-5-1-6-19-57)93-84(96-87)58-20-7-2-8-21-58)61-26-17-27-62(42-61)66-44-68(88-97-85(59-22-9-3-10-23-59)94-86(98-88)60-24-11-4-12-25-60)48-72(46-66)100-80-31-16-14-29-76(80)78-50-64(35-39-82(78)100)74-37-33-56(52-90)41-70(74)54-92/h1-50H.

What are the key properties of 4-[9-[3-[3-[3-[3-(2,4-dicyanophenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile?

4-[9-[3-[3-[3-[3-(2,4-dicyanophenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile has a molecular weight of 1275.45 g/mol, XLogP of 20.41, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[9-[3-[3-[3-[3-(2,4-dicyanophenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile is sourced from PubChem (CID 166900277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).