8-(4-dibenzofuran-1-ylquinazolin-2-yl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;8-(4-dibenzofuran-2-ylquinazolin-2-yl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;8-(4-dibenzofuran-3-ylquinazolin-2-yl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene

C108H63N9O3 — CID 158048904

About 8-(4-dibenzofuran-1-ylquinazolin-2-yl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;8-(4-dibenzofuran-2-ylquinazolin-2-yl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;8-(4-dibenzofuran-3-ylquinazolin-2-yl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene

8-(4-dibenzofuran-1-ylquinazolin-2-yl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;8-(4-dibenzofuran-2-ylquinazolin-2-yl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;8-(4-dibenzofuran-3-ylquinazolin-2-yl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene (PubChem CID 158048904) has the molecular formula C108H63N9O3 and a molecular weight of 1534.75 g/mol. Its IUPAC name is 8-(4-dibenzofuran-1-ylquinazolin-2-yl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;8-(4-dibenzofuran-2-ylquinazolin-2-yl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;8-(4-dibenzofuran-3-ylquinazolin-2-yl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene.

Molecular Properties

• Compound Name: 8-(4-dibenzofuran-1-ylquinazolin-2-yl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;8-(4-dibenzofuran-2-ylquinazolin-2-yl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;8-(4-dibenzofuran-3-ylquinazolin-2-yl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
• PubChem CID: 158048904
• Molecular Formula: C108H63N9O3
• Molecular Weight: 1534.75 g/mol
• Exact Mass: 1533.51
• IUPAC Name: 8-(4-dibenzofuran-1-ylquinazolin-2-yl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;8-(4-dibenzofuran-2-ylquinazolin-2-yl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;8-(4-dibenzofuran-3-ylquinazolin-2-yl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
• SMILES: c1ccc2c(c1)-c1cccc3cccc(c13)N2c1nc(-c2ccc3c(c2)oc2ccccc23)c2ccccc2n1.c1ccc2c(c1)-c1cccc3cccc(c13)N2c1nc(-c2ccc3oc4ccccc4c3c2)c2ccccc2n1.c1ccc2c(c1)-c1cccc3cccc(c13)N2c1nc(-c2cccc3oc4ccccc4c23)c2ccccc2n1
• InChI: InChI=1S/3C36H21N3O/c1-4-17-28-25(13-1)35(27-16-9-21-32-34(27)26-14-3-6-20-31(26)40-32)38-36(37-28)39-29-18-5-2-12-23(29)24-15-7-10-22-11-8-19-30(39)33(22)24;1-4-15-29-28(13-1)35(23-19-20-26-25-12-3-6-18-32(25)40-33(26)21-23)38-36(37-29)39-30-16-5-2-11-24(30)27-14-7-9-22-10-8-17-31(39)34(22)27;1-4-15-29-27(13-1)35(23-19-20-33-28(21-23)25-12-3-6-18-32(25)40-33)38-36(37-29)39-30-16-5-2-11-24(30)26-14-7-9-22-10-8-17-31(39)34(22)26/h3*1-21H
• InChIKey: FJFZNOUPEBXKBR-UHFFFAOYSA-N
• XLogP: 29.40
• TPSA: 126.48 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 6
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1534.75
LogP ≤ 5	29.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 8-(4-dibenzofuran-1-ylquinazolin-2-yl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;8-(4-dibenzofuran-2-ylquinazolin-2-yl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;8-(4-dibenzofuran-3-ylquinazolin-2-yl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene?

The IUPAC name of 8-(4-dibenzofuran-1-ylquinazolin-2-yl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;8-(4-dibenzofuran-2-ylquinazolin-2-yl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;8-(4-dibenzofuran-3-ylquinazolin-2-yl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene (CID 158048904) is 8-(4-dibenzofuran-1-ylquinazolin-2-yl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;8-(4-dibenzofuran-2-ylquinazolin-2-yl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;8-(4-dibenzofuran-3-ylquinazolin-2-yl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene.

What is the SMILES notation for 8-(4-dibenzofuran-1-ylquinazolin-2-yl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;8-(4-dibenzofuran-2-ylquinazolin-2-yl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;8-(4-dibenzofuran-3-ylquinazolin-2-yl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene?

The canonical SMILES for 8-(4-dibenzofuran-1-ylquinazolin-2-yl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;8-(4-dibenzofuran-2-ylquinazolin-2-yl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;8-(4-dibenzofuran-3-ylquinazolin-2-yl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene is c1ccc2c(c1)-c1cccc3cccc(c13)N2c1nc(-c2ccc3c(c2)oc2ccccc23)c2ccccc2n1.c1ccc2c(c1)-c1cccc3cccc(c13)N2c1nc(-c2ccc3oc4ccccc4c3c2)c2ccccc2n1.c1ccc2c(c1)-c1cccc3cccc(c13)N2c1nc(-c2cccc3oc4ccccc4c23)c2ccccc2n1.

What is the InChIKey of 8-(4-dibenzofuran-1-ylquinazolin-2-yl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;8-(4-dibenzofuran-2-ylquinazolin-2-yl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;8-(4-dibenzofuran-3-ylquinazolin-2-yl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene?

The InChIKey is FJFZNOUPEBXKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/3C36H21N3O/c1-4-17-28-25(13-1)35(27-16-9-21-32-34(27)26-14-3-6-20-31(26)40-32)38-36(37-28)39-29-18-5-2-12-23(29)24-15-7-10-22-11-8-19-30(39)33(22)24;1-4-15-29-28(13-1)35(23-19-20-26-25-12-3-6-18-32(25)40-33(26)21-23)38-36(37-29)39-30-16-5-2-11-24(30)27-14-7-9-22-10-8-17-31(39)34(22)27;1-4-15-29-27(13-1)35(23-19-20-33-28(21-23)25-12-3-6-18-32(25)40-33)38-36(37-29)39-30-16-5-2-11-24(30)26-14-7-9-22-10-8-17-31(39)34(22)26/h3*1-21H.

What are the key properties of 8-(4-dibenzofuran-1-ylquinazolin-2-yl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;8-(4-dibenzofuran-2-ylquinazolin-2-yl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;8-(4-dibenzofuran-3-ylquinazolin-2-yl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene?

8-(4-dibenzofuran-1-ylquinazolin-2-yl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;8-(4-dibenzofuran-2-ylquinazolin-2-yl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;8-(4-dibenzofuran-3-ylquinazolin-2-yl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene has a molecular weight of 1534.75 g/mol, XLogP of 29.40, 6 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(4-dibenzofuran-1-ylquinazolin-2-yl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;8-(4-dibenzofuran-2-ylquinazolin-2-yl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;8-(4-dibenzofuran-3-ylquinazolin-2-yl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene is sourced from PubChem (CID 158048904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).