3-[4-[4-[4-(3-cyanophenyl)-2-methylphenyl]-6-[4-(3-cyanophenyl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile

C67H40N8 — CID 170133343

About 3-[4-[4-[4-(3-cyanophenyl)-2-methylphenyl]-6-[4-(3-cyanophenyl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile

3-[4-[4-[4-(3-cyanophenyl)-2-methylphenyl]-6-[4-(3-cyanophenyl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile (PubChem CID 170133343) has the molecular formula C67H40N8 and a molecular weight of 957.11 g/mol. Its IUPAC name is 3-[4-[4-[4-(3-cyanophenyl)-2-methylphenyl]-6-[4-(3-cyanophenyl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile.

Molecular Properties

• Compound Name: 3-[4-[4-[4-(3-cyanophenyl)-2-methylphenyl]-6-[4-(3-cyanophenyl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
• PubChem CID: 170133343
• Molecular Formula: C67H40N8
• Molecular Weight: 957.11 g/mol
• Exact Mass: 956.34
• IUPAC Name: 3-[4-[4-[4-(3-cyanophenyl)-2-methylphenyl]-6-[4-(3-cyanophenyl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
• SMILES: Cc1cc(-c2cccc(C#N)c2)ccc1-c1nc(-c2ccc(-c3cccc(C#N)c3)cc2)nc(-c2ccc(-c3cccc(C#N)c3)cc2-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)n1
• InChI: InChI=1S/C67H40N8/c1-42-34-51(49-16-10-13-44(36-49)40-69)28-30-54(42)66-71-65(47-26-24-46(25-27-47)48-15-9-12-43(35-48)39-68)72-67(73-66)58-31-29-52(50-17-11-14-45(37-50)41-70)38-62(58)75-60-23-8-6-21-57(60)63-61(75)33-32-56-55-20-5-7-22-59(55)74(64(56)63)53-18-3-2-4-19-53/h2-38H,1H3
• InChIKey: YDOPZROYQWHOJX-UHFFFAOYSA-N
• XLogP: 15.99
• TPSA: 119.90 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	957.11
LogP ≤ 5	15.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-[4-(3-cyanophenyl)-2-methylphenyl]-6-[4-(3-cyanophenyl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile?

The IUPAC name of 3-[4-[4-[4-(3-cyanophenyl)-2-methylphenyl]-6-[4-(3-cyanophenyl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile (CID 170133343) is 3-[4-[4-[4-(3-cyanophenyl)-2-methylphenyl]-6-[4-(3-cyanophenyl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile.

What is the SMILES notation for 3-[4-[4-[4-(3-cyanophenyl)-2-methylphenyl]-6-[4-(3-cyanophenyl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile?

The canonical SMILES for 3-[4-[4-[4-(3-cyanophenyl)-2-methylphenyl]-6-[4-(3-cyanophenyl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile is Cc1cc(-c2cccc(C#N)c2)ccc1-c1nc(-c2ccc(-c3cccc(C#N)c3)cc2)nc(-c2ccc(-c3cccc(C#N)c3)cc2-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)n1.

What is the InChIKey of 3-[4-[4-[4-(3-cyanophenyl)-2-methylphenyl]-6-[4-(3-cyanophenyl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile?

The InChIKey is YDOPZROYQWHOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H40N8/c1-42-34-51(49-16-10-13-44(36-49)40-69)28-30-54(42)66-71-65(47-26-24-46(25-27-47)48-15-9-12-43(35-48)39-68)72-67(73-66)58-31-29-52(50-17-11-14-45(37-50)41-70)38-62(58)75-60-23-8-6-21-57(60)63-61(75)33-32-56-55-20-5-7-22-59(55)74(64(56)63)53-18-3-2-4-19-53/h2-38H,1H3.

What are the key properties of 3-[4-[4-[4-(3-cyanophenyl)-2-methylphenyl]-6-[4-(3-cyanophenyl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile?

3-[4-[4-[4-(3-cyanophenyl)-2-methylphenyl]-6-[4-(3-cyanophenyl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile has a molecular weight of 957.11 g/mol, XLogP of 15.99, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[4-[4-(3-cyanophenyl)-2-methylphenyl]-6-[4-(3-cyanophenyl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile is sourced from PubChem (CID 170133343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).