8-[3-[3-(4-phenyl-1,2-dihydroquinazolin-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

C40H27N5 — CID 146325564

About 8-[3-[3-(4-phenyl-1,2-dihydroquinazolin-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-[3-(4-phenyl-1,2-dihydroquinazolin-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 146325564) has the molecular formula C40H27N5 and a molecular weight of 577.69 g/mol. Its IUPAC name is 8-[3-[3-(4-phenyl-1,2-dihydroquinazolin-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-[3-(4-phenyl-1,2-dihydroquinazolin-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: 146325564
• Molecular Formula: C40H27N5
• Molecular Weight: 577.69 g/mol
• Exact Mass: 577.23
• IUPAC Name: 8-[3-[3-(4-phenyl-1,2-dihydroquinazolin-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: c1ccc(C2=NC(c3cccc(-c4cccc(-c5nc6c(nc7ccccn76)c6ccccc56)c4)c3)Nc3ccccc32)cc1
• InChI: InChI=1S/C40H27N5/c1-2-12-26(13-3-1)36-33-20-6-7-21-34(33)41-39(43-36)30-17-11-15-28(25-30)27-14-10-16-29(24-27)37-31-18-4-5-19-32(31)38-40(44-37)45-23-9-8-22-35(45)42-38/h1-25,39,41H
• InChIKey: TTYCFTLEBDSGOX-UHFFFAOYSA-N
• XLogP: 9.33
• TPSA: 54.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	577.69
LogP ≤ 5	9.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 8-[3-[3-(4-phenyl-1,2-dihydroquinazolin-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-[3-(4-phenyl-1,2-dihydroquinazolin-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 146325564) is 8-[3-[3-(4-phenyl-1,2-dihydroquinazolin-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-[3-(4-phenyl-1,2-dihydroquinazolin-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-[3-(4-phenyl-1,2-dihydroquinazolin-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 c1ccc(C2=NC(c3cccc(-c4cccc(-c5nc6c(nc7ccccn76)c6ccccc56)c4)c3)Nc3ccccc32)cc1.

What is the InChIKey of 8-[3-[3-(4-phenyl-1,2-dihydroquinazolin-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 TTYCFTLEBDSGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H27N5/c1-2-12-26(13-3-1)36-33-20-6-7-21-34(33)41-39(43-36)30-17-11-15-28(25-30)27-14-10-16-29(24-27)37-31-18-4-5-19-32(31)38-40(44-37)45-23-9-8-22-35(45)42-38/h1-25,39,41H.

What are the key properties of 8-[3-[3-(4-phenyl-1,2-dihydroquinazolin-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-[3-(4-phenyl-1,2-dihydroquinazolin-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 577.69 g/mol, XLogP of 9.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[3-[3-(4-phenyl-1,2-dihydroquinazolin-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 146325564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).