2-[5-[4-(4a,9b-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]benzonitrile

C38H24N4O — CID 168731978

About 2-[5-[4-(4a,9b-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]benzonitrile

2-[5-[4-(4a,9b-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]benzonitrile (PubChem CID 168731978) has the molecular formula C38H24N4O and a molecular weight of 552.64 g/mol. Its IUPAC name is 2-[5-[4-(4a,9b-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]benzonitrile.

Molecular Properties

• Compound Name: 2-[5-[4-(4a,9b-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]benzonitrile
• PubChem CID: 168731978
• Molecular Formula: C38H24N4O
• Molecular Weight: 552.64 g/mol
• Exact Mass: 552.20
• IUPAC Name: 2-[5-[4-(4a,9b-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]benzonitrile
• SMILES: N#Cc1ccccc1-c1cccc2c(-c3nc(C4=CC=CC5Oc6ccccc6C45)nc(-c4ccccc4)n3)cccc12
• InChI: InChI=1S/C38H24N4O/c39-23-25-13-4-5-14-26(25)27-16-8-18-29-28(27)17-9-19-30(29)37-40-36(24-11-2-1-3-12-24)41-38(42-37)32-20-10-22-34-35(32)31-15-6-7-21-33(31)43-34/h1-22,34-35H
• InChIKey: YJPTYODWQCYAPW-UHFFFAOYSA-N
• XLogP: 8.40
• TPSA: 71.69 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	552.64
LogP ≤ 5	8.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-(4a,9b-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]benzonitrile?

The IUPAC name of 2-[5-[4-(4a,9b-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]benzonitrile (CID 168731978) is 2-[5-[4-(4a,9b-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]benzonitrile.

What is the SMILES notation for 2-[5-[4-(4a,9b-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]benzonitrile?

The canonical SMILES for 2-[5-[4-(4a,9b-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]benzonitrile is N#Cc1ccccc1-c1cccc2c(-c3nc(C4=CC=CC5Oc6ccccc6C45)nc(-c4ccccc4)n3)cccc12.

What is the InChIKey of 2-[5-[4-(4a,9b-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]benzonitrile?

The InChIKey is YJPTYODWQCYAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24N4O/c39-23-25-13-4-5-14-26(25)27-16-8-18-29-28(27)17-9-19-30(29)37-40-36(24-11-2-1-3-12-24)41-38(42-37)32-20-10-22-34-35(32)31-15-6-7-21-33(31)43-34/h1-22,34-35H.

What are the key properties of 2-[5-[4-(4a,9b-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]benzonitrile?

2-[5-[4-(4a,9b-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]benzonitrile has a molecular weight of 552.64 g/mol, XLogP of 8.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[4-(4a,9b-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]benzonitrile is sourced from PubChem (CID 168731978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).