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

C176H104N12O2S2 — CID 160750799

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

8-[4-(4-dibenzofuran-4-ylquinazolin-2-yl)naphthalen-2-yl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;8-[2-(4-dibenzofuran-3-ylquinazolin-2-yl)phenyl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;8-[2-(4-dibenzothiophen-1-ylquinazolin-2-yl)naphthalen-1-yl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;8-[3-(4-dibenzothiophen-2-ylquinazolin-2-yl)phenyl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene (PubChem CID 160750799) has the molecular formula C176H104N12O2S2 and a molecular weight of 2482.98 g/mol. Its IUPAC name is 8-[4-(4-dibenzofuran-4-ylquinazolin-2-yl)naphthalen-2-yl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;8-[2-(4-dibenzofuran-3-ylquinazolin-2-yl)phenyl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;8-[2-(4-dibenzothiophen-1-ylquinazolin-2-yl)naphthalen-1-yl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;8-[3-(4-dibenzothiophen-2-ylquinazolin-2-yl)phenyl]-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-(4-dibenzofuran-4-ylquinazolin-2-yl)naphthalen-2-yl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;8-[2-(4-dibenzofuran-3-ylquinazolin-2-yl)phenyl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;8-[2-(4-dibenzothiophen-1-ylquinazolin-2-yl)naphthalen-1-yl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;8-[3-(4-dibenzothiophen-2-ylquinazolin-2-yl)phenyl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
• PubChem CID: 160750799
• Molecular Formula: C176H104N12O2S2
• Molecular Weight: 2482.98 g/mol
• Exact Mass: 2480.78
• IUPAC Name: 8-[4-(4-dibenzofuran-4-ylquinazolin-2-yl)naphthalen-2-yl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;8-[2-(4-dibenzofuran-3-ylquinazolin-2-yl)phenyl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;8-[2-(4-dibenzothiophen-1-ylquinazolin-2-yl)naphthalen-1-yl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;8-[3-(4-dibenzothiophen-2-ylquinazolin-2-yl)phenyl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
• SMILES: c1cc(-c2nc(-c3ccc4sc5ccccc5c4c3)c3ccccc3n2)cc(N2c3ccccc3-c3cccc4cccc2c34)c1.c1ccc(N2c3ccccc3-c3cccc4cccc2c34)c(-c2nc(-c3ccc4c(c3)oc3ccccc34)c3ccccc3n2)c1.c1ccc2c(c1)-c1cccc3cccc(c13)N2c1c(-c2nc(-c3cccc4sc5ccccc5c34)c3ccccc3n2)ccc2ccccc12.c1ccc2c(c1)-c1cccc3cccc(c13)N2c1cc(-c2nc(-c3cccc4c3oc3ccccc34)c3ccccc3n2)c2ccccc2c1
• InChI: InChI=1S/C46H27N3O.C46H27N3S.C42H25N3O.C42H25N3S/c1-2-15-31-29(12-1)26-30(49-40-23-7-4-16-32(40)34-19-9-13-28-14-10-24-41(49)43(28)34)27-38(31)46-47-39-22-6-3-18-36(39)44(48-46)37-21-11-20-35-33-17-5-8-25-42(33)50-45(35)37;1-2-15-30-28(12-1)26-27-36(45(30)49-38-22-7-4-16-31(38)32-19-9-13-29-14-10-23-39(49)42(29)32)46-47-37-21-6-3-17-33(37)44(48-46)35-20-11-25-41-43(35)34-18-5-8-24-40(34)50-41;1-5-18-34-32(15-1)41(27-23-24-30-29-14-4-8-22-38(29)46-39(30)25-27)44-42(43-34)33-16-3-7-20-36(33)45-35-19-6-2-13-28(35)31-17-9-11-26-12-10-21-37(45)40(26)31;1-4-18-35-33(16-1)41(27-22-23-39-34(25-27)31-15-3-6-21-38(31)46-39)44-42(43-35)28-12-7-13-29(24-28)45-36-19-5-2-14-30(36)32-17-8-10-26-11-9-20-37(45)40(26)32/h2*1-27H;2*1-25H
• InChIKey: RWUFXSPNYLGOER-UHFFFAOYSA-N
• XLogP: 49.11
• TPSA: 142.36 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 12
• Heavy Atoms: 192
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2482.98
LogP ≤ 5	49.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 8-[4-(4-dibenzofuran-4-ylquinazolin-2-yl)naphthalen-2-yl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;8-[2-(4-dibenzofuran-3-ylquinazolin-2-yl)phenyl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;8-[2-(4-dibenzothiophen-1-ylquinazolin-2-yl)naphthalen-1-yl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;8-[3-(4-dibenzothiophen-2-ylquinazolin-2-yl)phenyl]-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-(4-dibenzofuran-4-ylquinazolin-2-yl)naphthalen-2-yl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;8-[2-(4-dibenzofuran-3-ylquinazolin-2-yl)phenyl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;8-[2-(4-dibenzothiophen-1-ylquinazolin-2-yl)naphthalen-1-yl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;8-[3-(4-dibenzothiophen-2-ylquinazolin-2-yl)phenyl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene (CID 160750799) is 8-[4-(4-dibenzofuran-4-ylquinazolin-2-yl)naphthalen-2-yl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;8-[2-(4-dibenzofuran-3-ylquinazolin-2-yl)phenyl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;8-[2-(4-dibenzothiophen-1-ylquinazolin-2-yl)naphthalen-1-yl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;8-[3-(4-dibenzothiophen-2-ylquinazolin-2-yl)phenyl]-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-(4-dibenzofuran-4-ylquinazolin-2-yl)naphthalen-2-yl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;8-[2-(4-dibenzofuran-3-ylquinazolin-2-yl)phenyl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;8-[2-(4-dibenzothiophen-1-ylquinazolin-2-yl)naphthalen-1-yl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;8-[3-(4-dibenzothiophen-2-ylquinazolin-2-yl)phenyl]-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-(4-dibenzofuran-4-ylquinazolin-2-yl)naphthalen-2-yl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;8-[2-(4-dibenzofuran-3-ylquinazolin-2-yl)phenyl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;8-[2-(4-dibenzothiophen-1-ylquinazolin-2-yl)naphthalen-1-yl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;8-[3-(4-dibenzothiophen-2-ylquinazolin-2-yl)phenyl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene is c1cc(-c2nc(-c3ccc4sc5ccccc5c4c3)c3ccccc3n2)cc(N2c3ccccc3-c3cccc4cccc2c34)c1.c1ccc(N2c3ccccc3-c3cccc4cccc2c34)c(-c2nc(-c3ccc4c(c3)oc3ccccc34)c3ccccc3n2)c1.c1ccc2c(c1)-c1cccc3cccc(c13)N2c1c(-c2nc(-c3cccc4sc5ccccc5c34)c3ccccc3n2)ccc2ccccc12.c1ccc2c(c1)-c1cccc3cccc(c13)N2c1cc(-c2nc(-c3cccc4c3oc3ccccc34)c3ccccc3n2)c2ccccc2c1.

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

The InChIKey is RWUFXSPNYLGOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H27N3O.C46H27N3S.C42H25N3O.C42H25N3S/c1-2-15-31-29(12-1)26-30(49-40-23-7-4-16-32(40)34-19-9-13-28-14-10-24-41(49)43(28)34)27-38(31)46-47-39-22-6-3-18-36(39)44(48-46)37-21-11-20-35-33-17-5-8-25-42(33)50-45(35)37;1-2-15-30-28(12-1)26-27-36(45(30)49-38-22-7-4-16-31(38)32-19-9-13-29-14-10-23-39(49)42(29)32)46-47-37-21-6-3-17-33(37)44(48-46)35-20-11-25-41-43(35)34-18-5-8-24-40(34)50-41;1-5-18-34-32(15-1)41(27-23-24-30-29-14-4-8-22-38(29)46-39(30)25-27)44-42(43-34)33-16-3-7-20-36(33)45-35-19-6-2-13-28(35)31-17-9-11-26-12-10-21-37(45)40(26)31;1-4-18-35-33(16-1)41(27-22-23-39-34(25-27)31-15-3-6-21-38(31)46-39)44-42(43-35)28-12-7-13-29(24-28)45-36-19-5-2-14-30(36)32-17-8-10-26-11-9-20-37(45)40(26)32/h2*1-27H;2*1-25H.

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

8-[4-(4-dibenzofuran-4-ylquinazolin-2-yl)naphthalen-2-yl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;8-[2-(4-dibenzofuran-3-ylquinazolin-2-yl)phenyl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;8-[2-(4-dibenzothiophen-1-ylquinazolin-2-yl)naphthalen-1-yl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;8-[3-(4-dibenzothiophen-2-ylquinazolin-2-yl)phenyl]-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 2482.98 g/mol, XLogP of 49.11, 12 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[4-(4-dibenzofuran-4-ylquinazolin-2-yl)naphthalen-2-yl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;8-[2-(4-dibenzofuran-3-ylquinazolin-2-yl)phenyl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;8-[2-(4-dibenzothiophen-1-ylquinazolin-2-yl)naphthalen-1-yl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;8-[3-(4-dibenzothiophen-2-ylquinazolin-2-yl)phenyl]-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 160750799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).