8-[3-[4-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene

C44H27N5 — CID 130392905

About 8-[3-[4-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene

8-[3-[4-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene (PubChem CID 130392905) has the molecular formula C44H27N5 and a molecular weight of 625.74 g/mol. Its IUPAC name is 8-[3-[4-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene.

Molecular Properties

• Compound Name: 8-[3-[4-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene
• PubChem CID: 130392905
• Molecular Formula: C44H27N5
• Molecular Weight: 625.74 g/mol
• Exact Mass: 625.23
• IUPAC Name: 8-[3-[4-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene
• SMILES: c1cc(-c2ccc(-c3nc(-c4cccc5ccccc45)c4ccccc4n3)cc2)cc(-c2nc3c(nc4ccccn43)c3ccccc23)c1
• InChI: InChI=1S/C44H27N5/c1-2-15-33-29(11-1)12-10-19-34(33)41-37-18-5-6-20-38(37)45-43(47-41)30-24-22-28(23-25-30)31-13-9-14-32(27-31)40-35-16-3-4-17-36(35)42-44(48-40)49-26-8-7-21-39(49)46-42/h1-27H
• InChIKey: JYPUOKUHTQUQAE-UHFFFAOYSA-N
• XLogP: 10.80
• TPSA: 55.97 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	625.74
LogP ≤ 5	10.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 8-[3-[4-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene?

The IUPAC name of 8-[3-[4-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene (CID 130392905) is 8-[3-[4-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene.

What is the SMILES notation for 8-[3-[4-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene?

The canonical SMILES for 8-[3-[4-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene is c1cc(-c2ccc(-c3nc(-c4cccc5ccccc45)c4ccccc4n3)cc2)cc(-c2nc3c(nc4ccccn43)c3ccccc23)c1.

What is the InChIKey of 8-[3-[4-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene?

The InChIKey is JYPUOKUHTQUQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H27N5/c1-2-15-33-29(11-1)12-10-19-34(33)41-37-18-5-6-20-38(37)45-43(47-41)30-24-22-28(23-25-30)31-13-9-14-32(27-31)40-35-16-3-4-17-36(35)42-44(48-40)49-26-8-7-21-39(49)46-42/h1-27H.

What are the key properties of 8-[3-[4-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene?

8-[3-[4-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene has a molecular weight of 625.74 g/mol, XLogP of 10.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[3-[4-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene is sourced from PubChem (CID 130392905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).