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

C44H27N5 — CID 130393056

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

9-[4-[4-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene (PubChem CID 130393056) has the molecular formula C44H27N5 and a molecular weight of 625.74 g/mol. Its IUPAC name is 9-[4-[4-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene.

Molecular Properties

• Compound Name: 9-[4-[4-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene
• PubChem CID: 130393056
• Molecular Formula: C44H27N5
• Molecular Weight: 625.74 g/mol
• Exact Mass: 625.23
• IUPAC Name: 9-[4-[4-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene
• SMILES: c1ccc2c(-c3nc(-c4ccc(-c5ccc(-c6nc7ccccc7c7nc8ccccn8c67)cc5)cc4)nc4ccccc34)cccc2c1
• InChI: InChI=1S/C44H27N5/c1-2-12-33-30(10-1)11-9-15-34(33)41-35-13-3-6-17-38(35)46-44(48-41)32-25-21-29(22-26-32)28-19-23-31(24-20-28)40-43-42(36-14-4-5-16-37(36)45-40)47-39-18-7-8-27-49(39)43/h1-27H
• InChIKey: GSBHDXXAAREVOR-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 9-[4-[4-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene?

The IUPAC name of 9-[4-[4-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene (CID 130393056) is 9-[4-[4-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]phenyl]-8,11,17-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 9-[4-[4-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene?

The canonical SMILES for 9-[4-[4-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene is c1ccc2c(-c3nc(-c4ccc(-c5ccc(-c6nc7ccccc7c7nc8ccccn8c67)cc5)cc4)nc4ccccc34)cccc2c1.

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

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

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

9-[4-[4-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]phenyl]-8,11,17-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 9-[4-[4-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene is sourced from PubChem (CID 130393056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).