8-[3-[4-[2-(4-phenylphenyl)quinazolin-4-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

C46H29N5 — CID 130392981

About 8-[3-[4-[2-(4-phenylphenyl)quinazolin-4-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-[2-(4-phenylphenyl)quinazolin-4-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 130392981) has the molecular formula C46H29N5 and a molecular weight of 651.77 g/mol. Its IUPAC name is 8-[3-[4-[2-(4-phenylphenyl)quinazolin-4-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-[2-(4-phenylphenyl)quinazolin-4-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: 130392981
• Molecular Formula: C46H29N5
• Molecular Weight: 651.77 g/mol
• Exact Mass: 651.24
• IUPAC Name: 8-[3-[4-[2-(4-phenylphenyl)quinazolin-4-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: c1ccc(-c2ccc(-c3nc(-c4ccc(-c5cccc(-c6nc7c(nc8ccccn87)c7ccccc67)c5)cc4)c4ccccc4n3)cc2)cc1
• InChI: InChI=1S/C46H29N5/c1-2-11-30(12-3-1)31-22-26-34(27-23-31)45-47-40-18-7-6-17-39(40)42(49-45)33-24-20-32(21-25-33)35-13-10-14-36(29-35)43-37-15-4-5-16-38(37)44-46(50-43)51-28-9-8-19-41(51)48-44/h1-29H
• InChIKey: LEKGVMTXEDOWKS-UHFFFAOYSA-N
• XLogP: 11.31
• TPSA: 55.97 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	651.77
LogP ≤ 5	11.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 8-[3-[4-[2-(4-phenylphenyl)quinazolin-4-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-[2-(4-phenylphenyl)quinazolin-4-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 130392981) is 8-[3-[4-[2-(4-phenylphenyl)quinazolin-4-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-[2-(4-phenylphenyl)quinazolin-4-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-[2-(4-phenylphenyl)quinazolin-4-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 c1ccc(-c2ccc(-c3nc(-c4ccc(-c5cccc(-c6nc7c(nc8ccccn87)c7ccccc67)c5)cc4)c4ccccc4n3)cc2)cc1.

What is the InChIKey of 8-[3-[4-[2-(4-phenylphenyl)quinazolin-4-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 LEKGVMTXEDOWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29N5/c1-2-11-30(12-3-1)31-22-26-34(27-23-31)45-47-40-18-7-6-17-39(40)42(49-45)33-24-20-32(21-25-33)35-13-10-14-36(29-35)43-37-15-4-5-16-38(37)44-46(50-43)51-28-9-8-19-41(51)48-44/h1-29H.

What are the key properties of 8-[3-[4-[2-(4-phenylphenyl)quinazolin-4-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-[2-(4-phenylphenyl)quinazolin-4-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 651.77 g/mol, XLogP of 11.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[3-[4-[2-(4-phenylphenyl)quinazolin-4-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 130392981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).