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

C41H26N6 — CID 170268524

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

3-[4-(3-methylphenyl)-6-(12-phenylindolo[3,2-c]carbazol-5-yl)-1,3,5-triazin-2-yl]benzonitrile (PubChem CID 170268524) has the molecular formula C41H26N6 and a molecular weight of 602.70 g/mol. Its IUPAC name is 3-[4-(3-methylphenyl)-6-(12-phenylindolo[3,2-c]carbazol-5-yl)-1,3,5-triazin-2-yl]benzonitrile.

Molecular Properties

• Compound Name: 3-[4-(3-methylphenyl)-6-(12-phenylindolo[3,2-c]carbazol-5-yl)-1,3,5-triazin-2-yl]benzonitrile
• PubChem CID: 170268524
• Molecular Formula: C41H26N6
• Molecular Weight: 602.70 g/mol
• Exact Mass: 602.22
• IUPAC Name: 3-[4-(3-methylphenyl)-6-(12-phenylindolo[3,2-c]carbazol-5-yl)-1,3,5-triazin-2-yl]benzonitrile
• SMILES: Cc1cccc(-c2nc(-c3cccc(C#N)c3)nc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccccc5)c34)n2)c1
• InChI: InChI=1S/C41H26N6/c1-26-11-9-13-28(23-26)39-43-40(29-14-10-12-27(24-29)25-42)45-41(44-39)47-35-20-8-6-18-33(35)37-36(47)22-21-32-31-17-5-7-19-34(31)46(38(32)37)30-15-3-2-4-16-30/h2-24H,1H3
• InChIKey: UWTBHANBJVCKJG-UHFFFAOYSA-N
• XLogP: 9.58
• TPSA: 72.32 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	602.70
LogP ≤ 5	9.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 3-[4-(3-methylphenyl)-6-(12-phenylindolo[3,2-c]carbazol-5-yl)-1,3,5-triazin-2-yl]benzonitrile (CID 170268524) is 3-[4-(3-methylphenyl)-6-(12-phenylindolo[3,2-c]carbazol-5-yl)-1,3,5-triazin-2-yl]benzonitrile.

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

The canonical SMILES for 3-[4-(3-methylphenyl)-6-(12-phenylindolo[3,2-c]carbazol-5-yl)-1,3,5-triazin-2-yl]benzonitrile is Cc1cccc(-c2nc(-c3cccc(C#N)c3)nc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccccc5)c34)n2)c1.

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

The InChIKey is UWTBHANBJVCKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H26N6/c1-26-11-9-13-28(23-26)39-43-40(29-14-10-12-27(24-29)25-42)45-41(44-39)47-35-20-8-6-18-33(35)37-36(47)22-21-32-31-17-5-7-19-34(31)46(38(32)37)30-15-3-2-4-16-30/h2-24H,1H3.

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

3-[4-(3-methylphenyl)-6-(12-phenylindolo[3,2-c]carbazol-5-yl)-1,3,5-triazin-2-yl]benzonitrile has a molecular weight of 602.70 g/mol, XLogP of 9.58, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(3-methylphenyl)-6-(12-phenylindolo[3,2-c]carbazol-5-yl)-1,3,5-triazin-2-yl]benzonitrile is sourced from PubChem (CID 170268524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).