2-[3-(8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-yl)naphthalen-1-yl]-4-(4-quinolin-8-ylphenyl)-[1]benzofuro[3,2-d]pyrimidine;2-[4-(8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-yl)phenyl]-4-(4-pyridin-2-ylphenyl)-[1]benzofuro[3,2-d]pyrimidine;2-[4-(8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-yl)phenyl]-4-quinolin-8-yl-[1]benzofuro[3,2-d]pyrimidine

C135H80N12O3 — CID 158135987

About 2-[3-(8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-yl)naphthalen-1-yl]-4-(4-quinolin-8-ylphenyl)-[1]benzofuro[3,2-d]pyrimidine;2-[4-(8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-yl)phenyl]-4-(4-pyridin-2-ylphenyl)-[1]benzofuro[3,2-d]pyrimidine;2-[4-(8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-yl)phenyl]-4-quinolin-8-yl-[1]benzofuro[3,2-d]pyrimidine

2-[3-(8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-yl)naphthalen-1-yl]-4-(4-quinolin-8-ylphenyl)-[1]benzofuro[3,2-d]pyrimidine;2-[4-(8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-yl)phenyl]-4-(4-pyridin-2-ylphenyl)-[1]benzofuro[3,2-d]pyrimidine;2-[4-(8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-yl)phenyl]-4-quinolin-8-yl-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 158135987) has the molecular formula C135H80N12O3 and a molecular weight of 1918.21 g/mol. Its IUPAC name is 2-[3-(8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-yl)naphthalen-1-yl]-4-(4-quinolin-8-ylphenyl)-[1]benzofuro[3,2-d]pyrimidine;2-[4-(8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-yl)phenyl]-4-(4-pyridin-2-ylphenyl)-[1]benzofuro[3,2-d]pyrimidine;2-[4-(8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-yl)phenyl]-4-quinolin-8-yl-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

• Compound Name: 2-[3-(8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-yl)naphthalen-1-yl]-4-(4-quinolin-8-ylphenyl)-[1]benzofuro[3,2-d]pyrimidine;2-[4-(8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-yl)phenyl]-4-(4-pyridin-2-ylphenyl)-[1]benzofuro[3,2-d]pyrimidine;2-[4-(8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-yl)phenyl]-4-quinolin-8-yl-[1]benzofuro[3,2-d]pyrimidine
• PubChem CID: 158135987
• Molecular Formula: C135H80N12O3
• Molecular Weight: 1918.21 g/mol
• Exact Mass: 1916.65
• IUPAC Name: 2-[3-(8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-yl)naphthalen-1-yl]-4-(4-quinolin-8-ylphenyl)-[1]benzofuro[3,2-d]pyrimidine;2-[4-(8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-yl)phenyl]-4-(4-pyridin-2-ylphenyl)-[1]benzofuro[3,2-d]pyrimidine;2-[4-(8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-yl)phenyl]-4-quinolin-8-yl-[1]benzofuro[3,2-d]pyrimidine
• SMILES: c1ccc(-c2ccc(-c3nc(-c4ccc(N5c6ccccc6-c6cccc7cccc5c67)cc4)nc4c3oc3ccccc34)cc2)nc1.c1ccc2c(c1)-c1cccc3cccc(c13)N2c1cc(-c2nc(-c3ccc(-c4cccc5cccnc45)cc3)c3oc4ccccc4c3n2)c2ccccc2c1.c1ccc2c(c1)-c1cccc3cccc(c13)N2c1ccc(-c2nc(-c3cccc4cccnc34)c3oc4ccccc4c3n2)cc1
• InChI: InChI=1S/C51H30N4O.C43H26N4O.C41H24N4O/c1-2-16-37-35(11-1)29-36(55-43-21-5-3-17-39(43)40-20-7-12-32-13-9-22-44(55)46(32)40)30-42(37)51-53-48(50-49(54-51)41-18-4-6-23-45(41)56-50)34-26-24-31(25-27-34)38-19-8-14-33-15-10-28-52-47(33)38;1-3-15-36-32(11-1)33-13-7-9-28-10-8-16-37(39(28)33)47(36)31-24-22-30(23-25-31)43-45-40(42-41(46-43)34-12-2-4-17-38(34)48-42)29-20-18-27(19-21-29)35-14-5-6-26-44-35;1-3-17-33-29(13-1)30-15-5-9-25-10-7-18-34(36(25)30)45(33)28-22-20-27(21-23-28)41-43-38-31-14-2-4-19-35(31)46-40(38)39(44-41)32-16-6-11-26-12-8-24-42-37(26)32/h1-30H;1-26H;1-24H
• InChIKey: FTIXDKIVQKAYPJ-UHFFFAOYSA-N
• XLogP: 35.92
• TPSA: 165.15 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 11
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1918.21
LogP ≤ 5	35.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 2-[3-(8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-yl)naphthalen-1-yl]-4-(4-quinolin-8-ylphenyl)-[1]benzofuro[3,2-d]pyrimidine;2-[4-(8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-yl)phenyl]-4-(4-pyridin-2-ylphenyl)-[1]benzofuro[3,2-d]pyrimidine;2-[4-(8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-yl)phenyl]-4-quinolin-8-yl-[1]benzofuro[3,2-d]pyrimidine?

The IUPAC name of 2-[3-(8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-yl)naphthalen-1-yl]-4-(4-quinolin-8-ylphenyl)-[1]benzofuro[3,2-d]pyrimidine;2-[4-(8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-yl)phenyl]-4-(4-pyridin-2-ylphenyl)-[1]benzofuro[3,2-d]pyrimidine;2-[4-(8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-yl)phenyl]-4-quinolin-8-yl-[1]benzofuro[3,2-d]pyrimidine (CID 158135987) is 2-[3-(8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-yl)naphthalen-1-yl]-4-(4-quinolin-8-ylphenyl)-[1]benzofuro[3,2-d]pyrimidine;2-[4-(8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-yl)phenyl]-4-(4-pyridin-2-ylphenyl)-[1]benzofuro[3,2-d]pyrimidine;2-[4-(8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-yl)phenyl]-4-quinolin-8-yl-[1]benzofuro[3,2-d]pyrimidine.

What is the SMILES notation for 2-[3-(8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-yl)naphthalen-1-yl]-4-(4-quinolin-8-ylphenyl)-[1]benzofuro[3,2-d]pyrimidine;2-[4-(8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-yl)phenyl]-4-(4-pyridin-2-ylphenyl)-[1]benzofuro[3,2-d]pyrimidine;2-[4-(8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-yl)phenyl]-4-quinolin-8-yl-[1]benzofuro[3,2-d]pyrimidine?

The canonical SMILES for 2-[3-(8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-yl)naphthalen-1-yl]-4-(4-quinolin-8-ylphenyl)-[1]benzofuro[3,2-d]pyrimidine;2-[4-(8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-yl)phenyl]-4-(4-pyridin-2-ylphenyl)-[1]benzofuro[3,2-d]pyrimidine;2-[4-(8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-yl)phenyl]-4-quinolin-8-yl-[1]benzofuro[3,2-d]pyrimidine is c1ccc(-c2ccc(-c3nc(-c4ccc(N5c6ccccc6-c6cccc7cccc5c67)cc4)nc4c3oc3ccccc34)cc2)nc1.c1ccc2c(c1)-c1cccc3cccc(c13)N2c1cc(-c2nc(-c3ccc(-c4cccc5cccnc45)cc3)c3oc4ccccc4c3n2)c2ccccc2c1.c1ccc2c(c1)-c1cccc3cccc(c13)N2c1ccc(-c2nc(-c3cccc4cccnc34)c3oc4ccccc4c3n2)cc1.

What is the InChIKey of 2-[3-(8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-yl)naphthalen-1-yl]-4-(4-quinolin-8-ylphenyl)-[1]benzofuro[3,2-d]pyrimidine;2-[4-(8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-yl)phenyl]-4-(4-pyridin-2-ylphenyl)-[1]benzofuro[3,2-d]pyrimidine;2-[4-(8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-yl)phenyl]-4-quinolin-8-yl-[1]benzofuro[3,2-d]pyrimidine?

The InChIKey is FTIXDKIVQKAYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H30N4O.C43H26N4O.C41H24N4O/c1-2-16-37-35(11-1)29-36(55-43-21-5-3-17-39(43)40-20-7-12-32-13-9-22-44(55)46(32)40)30-42(37)51-53-48(50-49(54-51)41-18-4-6-23-45(41)56-50)34-26-24-31(25-27-34)38-19-8-14-33-15-10-28-52-47(33)38;1-3-15-36-32(11-1)33-13-7-9-28-10-8-16-37(39(28)33)47(36)31-24-22-30(23-25-31)43-45-40(42-41(46-43)34-12-2-4-17-38(34)48-42)29-20-18-27(19-21-29)35-14-5-6-26-44-35;1-3-17-33-29(13-1)30-15-5-9-25-10-7-18-34(36(25)30)45(33)28-22-20-27(21-23-28)41-43-38-31-14-2-4-19-35(31)46-40(38)39(44-41)32-16-6-11-26-12-8-24-42-37(26)32/h1-30H;1-26H;1-24H.

What are the key properties of 2-[3-(8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-yl)naphthalen-1-yl]-4-(4-quinolin-8-ylphenyl)-[1]benzofuro[3,2-d]pyrimidine;2-[4-(8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-yl)phenyl]-4-(4-pyridin-2-ylphenyl)-[1]benzofuro[3,2-d]pyrimidine;2-[4-(8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-yl)phenyl]-4-quinolin-8-yl-[1]benzofuro[3,2-d]pyrimidine?

2-[3-(8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-yl)naphthalen-1-yl]-4-(4-quinolin-8-ylphenyl)-[1]benzofuro[3,2-d]pyrimidine;2-[4-(8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-yl)phenyl]-4-(4-pyridin-2-ylphenyl)-[1]benzofuro[3,2-d]pyrimidine;2-[4-(8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-yl)phenyl]-4-quinolin-8-yl-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 1918.21 g/mol, XLogP of 35.92, 11 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-yl)naphthalen-1-yl]-4-(4-quinolin-8-ylphenyl)-[1]benzofuro[3,2-d]pyrimidine;2-[4-(8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-yl)phenyl]-4-(4-pyridin-2-ylphenyl)-[1]benzofuro[3,2-d]pyrimidine;2-[4-(8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-yl)phenyl]-4-quinolin-8-yl-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 158135987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).