4-[4-[4-[4-[4-[4-(1-adamantyl)phenyl]-6-(5-phenylpyrido[3,2-b]indol-3-yl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]phenyl]benzonitrile

C65H48N6 — CID 168808419

About 4-[4-[4-[4-[4-[4-(1-adamantyl)phenyl]-6-(5-phenylpyrido[3,2-b]indol-3-yl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]phenyl]benzonitrile

4-[4-[4-[4-[4-[4-(1-adamantyl)phenyl]-6-(5-phenylpyrido[3,2-b]indol-3-yl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]phenyl]benzonitrile (PubChem CID 168808419) has the molecular formula C65H48N6 and a molecular weight of 913.14 g/mol. Its IUPAC name is 4-[4-[4-[4-[4-[4-(1-adamantyl)phenyl]-6-(5-phenylpyrido[3,2-b]indol-3-yl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]phenyl]benzonitrile.

Molecular Properties

• Compound Name: 4-[4-[4-[4-[4-[4-(1-adamantyl)phenyl]-6-(5-phenylpyrido[3,2-b]indol-3-yl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]phenyl]benzonitrile
• PubChem CID: 168808419
• Molecular Formula: C65H48N6
• Molecular Weight: 913.14 g/mol
• Exact Mass: 912.39
• IUPAC Name: 4-[4-[4-[4-[4-[4-(1-adamantyl)phenyl]-6-(5-phenylpyrido[3,2-b]indol-3-yl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]phenyl]benzonitrile
• SMILES: N#Cc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5nc(-c6ccc(C78CC9CC(CC(C9)C7)C8)cc6)nc(-c6cnc7c8ccccc8n(-c8ccccc8)c7c6)n5)cc4)c4ccccc34)cc2)cc1
• InChI: InChI=1S/C65H48N6/c66-39-41-14-16-45(17-15-41)46-18-20-47(21-19-46)54-30-31-55(57-11-5-4-10-56(54)57)48-22-24-49(25-23-48)62-68-63(50-26-28-52(29-27-50)65-36-42-32-43(37-65)34-44(33-42)38-65)70-64(69-62)51-35-60-61(67-40-51)58-12-6-7-13-59(58)71(60)53-8-2-1-3-9-53/h1-31,35,40,42-44H,32-34,36-38H2
• InChIKey: ODJXMUHSFRUWDM-UHFFFAOYSA-N
• XLogP: 15.86
• TPSA: 80.28 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	913.14
LogP ≤ 5	15.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-[4-[4-[4-(1-adamantyl)phenyl]-6-(5-phenylpyrido[3,2-b]indol-3-yl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]phenyl]benzonitrile?

The IUPAC name of 4-[4-[4-[4-[4-[4-(1-adamantyl)phenyl]-6-(5-phenylpyrido[3,2-b]indol-3-yl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]phenyl]benzonitrile (CID 168808419) is 4-[4-[4-[4-[4-[4-(1-adamantyl)phenyl]-6-(5-phenylpyrido[3,2-b]indol-3-yl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]phenyl]benzonitrile.

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

The canonical SMILES for 4-[4-[4-[4-[4-[4-(1-adamantyl)phenyl]-6-(5-phenylpyrido[3,2-b]indol-3-yl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]phenyl]benzonitrile is N#Cc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5nc(-c6ccc(C78CC9CC(CC(C9)C7)C8)cc6)nc(-c6cnc7c8ccccc8n(-c8ccccc8)c7c6)n5)cc4)c4ccccc34)cc2)cc1.

What is the InChIKey of 4-[4-[4-[4-[4-[4-(1-adamantyl)phenyl]-6-(5-phenylpyrido[3,2-b]indol-3-yl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]phenyl]benzonitrile?

The InChIKey is ODJXMUHSFRUWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H48N6/c66-39-41-14-16-45(17-15-41)46-18-20-47(21-19-46)54-30-31-55(57-11-5-4-10-56(54)57)48-22-24-49(25-23-48)62-68-63(50-26-28-52(29-27-50)65-36-42-32-43(37-65)34-44(33-42)38-65)70-64(69-62)51-35-60-61(67-40-51)58-12-6-7-13-59(58)71(60)53-8-2-1-3-9-53/h1-31,35,40,42-44H,32-34,36-38H2.

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

4-[4-[4-[4-[4-[4-(1-adamantyl)phenyl]-6-(5-phenylpyrido[3,2-b]indol-3-yl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]phenyl]benzonitrile has a molecular weight of 913.14 g/mol, XLogP of 15.86, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[4-[4-[4-[4-(1-adamantyl)phenyl]-6-(5-phenylpyrido[3,2-b]indol-3-yl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]phenyl]benzonitrile is sourced from PubChem (CID 168808419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).