4-[4-[4-[4-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]phenyl]naphthalen-1-yl]phenyl]benzonitrile

C53H33N3 — CID 162490340

About 4-[4-[4-[4-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]phenyl]naphthalen-1-yl]phenyl]benzonitrile

4-[4-[4-[4-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]phenyl]naphthalen-1-yl]phenyl]benzonitrile (PubChem CID 162490340) has the molecular formula C53H33N3 and a molecular weight of 711.87 g/mol. Its IUPAC name is 4-[4-[4-[4-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]phenyl]naphthalen-1-yl]phenyl]benzonitrile.

Molecular Properties

• Compound Name: 4-[4-[4-[4-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]phenyl]naphthalen-1-yl]phenyl]benzonitrile
• PubChem CID: 162490340
• Molecular Formula: C53H33N3
• Molecular Weight: 711.87 g/mol
• Exact Mass: 711.27
• IUPAC Name: 4-[4-[4-[4-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]phenyl]naphthalen-1-yl]phenyl]benzonitrile
• SMILES: N#Cc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5nc(-c6ccc(-c7cccc8ccccc78)cc6)c6ccccc6n5)cc4)c4ccccc34)cc2)cc1
• InChI: InChI=1S/C53H33N3/c54-34-35-16-18-36(19-17-35)37-20-22-40(23-21-37)46-32-33-47(49-12-4-3-11-48(46)49)41-26-30-43(31-27-41)53-55-51-15-6-5-13-50(51)52(56-53)42-28-24-39(25-29-42)45-14-7-9-38-8-1-2-10-44(38)45/h1-33H
• InChIKey: FGCXOKAOTZNDTB-UHFFFAOYSA-N
• XLogP: 13.81
• TPSA: 49.57 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	711.87
LogP ≤ 5	13.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-[4-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]phenyl]naphthalen-1-yl]phenyl]benzonitrile?

The IUPAC name of 4-[4-[4-[4-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]phenyl]naphthalen-1-yl]phenyl]benzonitrile (CID 162490340) is 4-[4-[4-[4-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]phenyl]naphthalen-1-yl]phenyl]benzonitrile.

What is the SMILES notation for 4-[4-[4-[4-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]phenyl]naphthalen-1-yl]phenyl]benzonitrile?

The canonical SMILES for 4-[4-[4-[4-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]phenyl]naphthalen-1-yl]phenyl]benzonitrile is N#Cc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5nc(-c6ccc(-c7cccc8ccccc78)cc6)c6ccccc6n5)cc4)c4ccccc34)cc2)cc1.

What is the InChIKey of 4-[4-[4-[4-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]phenyl]naphthalen-1-yl]phenyl]benzonitrile?

The InChIKey is FGCXOKAOTZNDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33N3/c54-34-35-16-18-36(19-17-35)37-20-22-40(23-21-37)46-32-33-47(49-12-4-3-11-48(46)49)41-26-30-43(31-27-41)53-55-51-15-6-5-13-50(51)52(56-53)42-28-24-39(25-29-42)45-14-7-9-38-8-1-2-10-44(38)45/h1-33H.

What are the key properties of 4-[4-[4-[4-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]phenyl]naphthalen-1-yl]phenyl]benzonitrile?

4-[4-[4-[4-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]phenyl]naphthalen-1-yl]phenyl]benzonitrile has a molecular weight of 711.87 g/mol, XLogP of 13.81, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[4-[4-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]phenyl]naphthalen-1-yl]phenyl]benzonitrile is sourced from PubChem (CID 162490340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).