3-[3-[4-[3-(3-cyanophenyl)-5-[2-(4-phenylphenyl)carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[2-(4-phenylphenyl)anilino]phenyl]benzonitrile

C98H62N10 — CID 129225843

About 3-[3-[4-[3-(3-cyanophenyl)-5-[2-(4-phenylphenyl)carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[2-(4-phenylphenyl)anilino]phenyl]benzonitrile

3-[3-[4-[3-(3-cyanophenyl)-5-[2-(4-phenylphenyl)carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[2-(4-phenylphenyl)anilino]phenyl]benzonitrile (PubChem CID 129225843) has the molecular formula C98H62N10 and a molecular weight of 1379.64 g/mol. Its IUPAC name is 3-[3-[4-[3-(3-cyanophenyl)-5-[2-(4-phenylphenyl)carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[2-(4-phenylphenyl)anilino]phenyl]benzonitrile.

Molecular Properties

• Compound Name: 3-[3-[4-[3-(3-cyanophenyl)-5-[2-(4-phenylphenyl)carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[2-(4-phenylphenyl)anilino]phenyl]benzonitrile
• PubChem CID: 129225843
• Molecular Formula: C98H62N10
• Molecular Weight: 1379.64 g/mol
• Exact Mass: 1378.52
• IUPAC Name: 3-[3-[4-[3-(3-cyanophenyl)-5-[2-(4-phenylphenyl)carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[2-(4-phenylphenyl)anilino]phenyl]benzonitrile
• SMILES: N#Cc1cccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5cc(C#N)cc(-c6cc(Nc7ccccc7-c7ccc(-c8ccccc8)cc7)cc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c6)c5)c4)n3)cc(-n3c4ccccc4c4ccc(-c5ccc(-c6ccccc6)cc5)cc43)c2)c1
• InChI: InChI=1S/C98H62N10/c99-62-64-22-20-33-75(50-64)82-56-84(60-86(59-82)108-91-39-19-17-37-88(91)89-49-48-77(61-92(89)108)70-42-40-68(41-43-70)66-23-6-1-7-24-66)98-106-95(74-31-14-5-15-32-74)103-96(107-98)78-35-21-34-76(53-78)79-51-65(63-100)52-80(54-79)81-55-83(97-104-93(72-27-10-3-11-28-72)102-94(105-97)73-29-12-4-13-30-73)58-85(57-81)101-90-38-18-16-36-87(90)71-46-44-69(45-47-71)67-25-8-2-9-26-67/h1-61,101H
• InChIKey: UMVVSOCROXLWFS-UHFFFAOYSA-N
• XLogP: 24.31
• TPSA: 141.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 16
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1379.64
LogP ≤ 5	24.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-[3-(3-cyanophenyl)-5-[2-(4-phenylphenyl)carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[2-(4-phenylphenyl)anilino]phenyl]benzonitrile?

The IUPAC name of 3-[3-[4-[3-(3-cyanophenyl)-5-[2-(4-phenylphenyl)carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[2-(4-phenylphenyl)anilino]phenyl]benzonitrile (CID 129225843) is 3-[3-[4-[3-(3-cyanophenyl)-5-[2-(4-phenylphenyl)carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[2-(4-phenylphenyl)anilino]phenyl]benzonitrile.

What is the SMILES notation for 3-[3-[4-[3-(3-cyanophenyl)-5-[2-(4-phenylphenyl)carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[2-(4-phenylphenyl)anilino]phenyl]benzonitrile?

The canonical SMILES for 3-[3-[4-[3-(3-cyanophenyl)-5-[2-(4-phenylphenyl)carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[2-(4-phenylphenyl)anilino]phenyl]benzonitrile is N#Cc1cccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5cc(C#N)cc(-c6cc(Nc7ccccc7-c7ccc(-c8ccccc8)cc7)cc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c6)c5)c4)n3)cc(-n3c4ccccc4c4ccc(-c5ccc(-c6ccccc6)cc5)cc43)c2)c1.

What is the InChIKey of 3-[3-[4-[3-(3-cyanophenyl)-5-[2-(4-phenylphenyl)carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[2-(4-phenylphenyl)anilino]phenyl]benzonitrile?

The InChIKey is UMVVSOCROXLWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C98H62N10/c99-62-64-22-20-33-75(50-64)82-56-84(60-86(59-82)108-91-39-19-17-37-88(91)89-49-48-77(61-92(89)108)70-42-40-68(41-43-70)66-23-6-1-7-24-66)98-106-95(74-31-14-5-15-32-74)103-96(107-98)78-35-21-34-76(53-78)79-51-65(63-100)52-80(54-79)81-55-83(97-104-93(72-27-10-3-11-28-72)102-94(105-97)73-29-12-4-13-30-73)58-85(57-81)101-90-38-18-16-36-87(90)71-46-44-69(45-47-71)67-25-8-2-9-26-67/h1-61,101H.

What are the key properties of 3-[3-[4-[3-(3-cyanophenyl)-5-[2-(4-phenylphenyl)carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[2-(4-phenylphenyl)anilino]phenyl]benzonitrile?

3-[3-[4-[3-(3-cyanophenyl)-5-[2-(4-phenylphenyl)carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[2-(4-phenylphenyl)anilino]phenyl]benzonitrile has a molecular weight of 1379.64 g/mol, XLogP of 24.31, 16 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[4-[3-(3-cyanophenyl)-5-[2-(4-phenylphenyl)carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[2-(4-phenylphenyl)anilino]phenyl]benzonitrile is sourced from PubChem (CID 129225843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).