2-(12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)-4-dibenzofuran-1-yl-[1]benzofuro[3,2-d]pyrimidine;2-(12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)-4-dibenzofuran-2-yl-[1]benzofuro[3,2-d]pyrimidine;2-(12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)-4-dibenzofuran-3-yl-[1]benzofuro[3,2-d]pyrimidine;2-(12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)-4-dibenzofuran-4-yl-[1]benzofuro[3,2-d]pyrimidine

C168H92N12O8 — CID 159365372

About 2-(12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)-4-dibenzofuran-1-yl-[1]benzofuro[3,2-d]pyrimidine;2-(12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)-4-dibenzofuran-2-yl-[1]benzofuro[3,2-d]pyrimidine;2-(12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)-4-dibenzofuran-3-yl-[1]benzofuro[3,2-d]pyrimidine;2-(12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)-4-dibenzofuran-4-yl-[1]benzofuro[3,2-d]pyrimidine

2-(12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)-4-dibenzofuran-1-yl-[1]benzofuro[3,2-d]pyrimidine;2-(12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)-4-dibenzofuran-2-yl-[1]benzofuro[3,2-d]pyrimidine;2-(12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)-4-dibenzofuran-3-yl-[1]benzofuro[3,2-d]pyrimidine;2-(12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)-4-dibenzofuran-4-yl-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 159365372) has the molecular formula C168H92N12O8 and a molecular weight of 2406.66 g/mol. Its IUPAC name is 2-(12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)-4-dibenzofuran-1-yl-[1]benzofuro[3,2-d]pyrimidine;2-(12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)-4-dibenzofuran-2-yl-[1]benzofuro[3,2-d]pyrimidine;2-(12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)-4-dibenzofuran-3-yl-[1]benzofuro[3,2-d]pyrimidine;2-(12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)-4-dibenzofuran-4-yl-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

• Compound Name: 2-(12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)-4-dibenzofuran-1-yl-[1]benzofuro[3,2-d]pyrimidine;2-(12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)-4-dibenzofuran-2-yl-[1]benzofuro[3,2-d]pyrimidine;2-(12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)-4-dibenzofuran-3-yl-[1]benzofuro[3,2-d]pyrimidine;2-(12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)-4-dibenzofuran-4-yl-[1]benzofuro[3,2-d]pyrimidine
• PubChem CID: 159365372
• Molecular Formula: C168H92N12O8
• Molecular Weight: 2406.66 g/mol
• Exact Mass: 2404.72
• IUPAC Name: 2-(12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)-4-dibenzofuran-1-yl-[1]benzofuro[3,2-d]pyrimidine;2-(12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)-4-dibenzofuran-2-yl-[1]benzofuro[3,2-d]pyrimidine;2-(12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)-4-dibenzofuran-3-yl-[1]benzofuro[3,2-d]pyrimidine;2-(12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)-4-dibenzofuran-4-yl-[1]benzofuro[3,2-d]pyrimidine
• SMILES: c1ccc2c3c(ccc2c1)N(c1nc(-c2ccc4c(c2)oc2ccccc24)c2oc4ccccc4c2n1)c1cccc2cccc-3c12.c1ccc2c3c(ccc2c1)N(c1nc(-c2ccc4oc5ccccc5c4c2)c2oc4ccccc4c2n1)c1cccc2cccc-3c12.c1ccc2c3c(ccc2c1)N(c1nc(-c2cccc4c2oc2ccccc24)c2oc4ccccc4c2n1)c1cccc2cccc-3c12.c1ccc2c3c(ccc2c1)N(c1nc(-c2cccc4oc5ccccc5c24)c2oc4ccccc4c2n1)c1cccc2cccc-3c12
• InChI: InChI=1S/4C42H23N3O2/c1-2-13-26-24(10-1)22-23-33-37(26)30-17-7-11-25-12-8-19-32(36(25)30)45(33)42-43-38-29-15-4-6-21-35(29)47-41(38)39(44-42)31-18-9-16-28-27-14-3-5-20-34(27)46-40(28)31;1-2-13-26-24(10-1)22-23-32-37(26)29-16-7-11-25-12-8-18-31(36(25)29)45(32)42-43-39-28-15-4-6-20-34(28)47-41(39)40(44-42)30-17-9-21-35-38(30)27-14-3-5-19-33(27)46-35;1-2-12-27-24(9-1)20-22-33-38(27)31-15-7-10-25-11-8-16-32(37(25)31)45(33)42-43-39(41-40(44-42)30-14-4-6-18-35(30)47-41)26-19-21-29-28-13-3-5-17-34(28)46-36(29)23-26;1-2-12-27-24(9-1)19-21-33-38(27)30-15-7-10-25-11-8-16-32(37(25)30)45(33)42-43-39(41-40(44-42)29-14-4-6-18-35(29)47-41)26-20-22-36-31(23-26)28-13-3-5-17-34(28)46-36/h4*1-23H
• InChIKey: LJBDZDZHKDNUDA-UHFFFAOYSA-N
• XLogP: 46.80
• TPSA: 221.20 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 8
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2406.66
LogP ≤ 5	46.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 2-(12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)-4-dibenzofuran-1-yl-[1]benzofuro[3,2-d]pyrimidine;2-(12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)-4-dibenzofuran-2-yl-[1]benzofuro[3,2-d]pyrimidine;2-(12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)-4-dibenzofuran-3-yl-[1]benzofuro[3,2-d]pyrimidine;2-(12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)-4-dibenzofuran-4-yl-[1]benzofuro[3,2-d]pyrimidine?

The IUPAC name of 2-(12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)-4-dibenzofuran-1-yl-[1]benzofuro[3,2-d]pyrimidine;2-(12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)-4-dibenzofuran-2-yl-[1]benzofuro[3,2-d]pyrimidine;2-(12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)-4-dibenzofuran-3-yl-[1]benzofuro[3,2-d]pyrimidine;2-(12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)-4-dibenzofuran-4-yl-[1]benzofuro[3,2-d]pyrimidine (CID 159365372) is 2-(12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)-4-dibenzofuran-1-yl-[1]benzofuro[3,2-d]pyrimidine;2-(12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)-4-dibenzofuran-2-yl-[1]benzofuro[3,2-d]pyrimidine;2-(12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)-4-dibenzofuran-3-yl-[1]benzofuro[3,2-d]pyrimidine;2-(12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)-4-dibenzofuran-4-yl-[1]benzofuro[3,2-d]pyrimidine.

What is the SMILES notation for 2-(12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)-4-dibenzofuran-1-yl-[1]benzofuro[3,2-d]pyrimidine;2-(12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)-4-dibenzofuran-2-yl-[1]benzofuro[3,2-d]pyrimidine;2-(12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)-4-dibenzofuran-3-yl-[1]benzofuro[3,2-d]pyrimidine;2-(12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)-4-dibenzofuran-4-yl-[1]benzofuro[3,2-d]pyrimidine?

The canonical SMILES for 2-(12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)-4-dibenzofuran-1-yl-[1]benzofuro[3,2-d]pyrimidine;2-(12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)-4-dibenzofuran-2-yl-[1]benzofuro[3,2-d]pyrimidine;2-(12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)-4-dibenzofuran-3-yl-[1]benzofuro[3,2-d]pyrimidine;2-(12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)-4-dibenzofuran-4-yl-[1]benzofuro[3,2-d]pyrimidine is c1ccc2c3c(ccc2c1)N(c1nc(-c2ccc4c(c2)oc2ccccc24)c2oc4ccccc4c2n1)c1cccc2cccc-3c12.c1ccc2c3c(ccc2c1)N(c1nc(-c2ccc4oc5ccccc5c4c2)c2oc4ccccc4c2n1)c1cccc2cccc-3c12.c1ccc2c3c(ccc2c1)N(c1nc(-c2cccc4c2oc2ccccc24)c2oc4ccccc4c2n1)c1cccc2cccc-3c12.c1ccc2c3c(ccc2c1)N(c1nc(-c2cccc4oc5ccccc5c24)c2oc4ccccc4c2n1)c1cccc2cccc-3c12.

What is the InChIKey of 2-(12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)-4-dibenzofuran-1-yl-[1]benzofuro[3,2-d]pyrimidine;2-(12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)-4-dibenzofuran-2-yl-[1]benzofuro[3,2-d]pyrimidine;2-(12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)-4-dibenzofuran-3-yl-[1]benzofuro[3,2-d]pyrimidine;2-(12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)-4-dibenzofuran-4-yl-[1]benzofuro[3,2-d]pyrimidine?

The InChIKey is LJBDZDZHKDNUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/4C42H23N3O2/c1-2-13-26-24(10-1)22-23-33-37(26)30-17-7-11-25-12-8-19-32(36(25)30)45(33)42-43-38-29-15-4-6-21-35(29)47-41(38)39(44-42)31-18-9-16-28-27-14-3-5-20-34(27)46-40(28)31;1-2-13-26-24(10-1)22-23-32-37(26)29-16-7-11-25-12-8-18-31(36(25)29)45(32)42-43-39-28-15-4-6-20-34(28)47-41(39)40(44-42)30-17-9-21-35-38(30)27-14-3-5-19-33(27)46-35;1-2-12-27-24(9-1)20-22-33-38(27)31-15-7-10-25-11-8-16-32(37(25)31)45(33)42-43-39(41-40(44-42)30-14-4-6-18-35(30)47-41)26-19-21-29-28-13-3-5-17-34(28)46-36(29)23-26;1-2-12-27-24(9-1)19-21-33-38(27)30-15-7-10-25-11-8-16-32(37(25)30)45(33)42-43-39(41-40(44-42)29-14-4-6-18-35(29)47-41)26-20-22-36-31(23-26)28-13-3-5-17-34(28)46-36/h4*1-23H.

What are the key properties of 2-(12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)-4-dibenzofuran-1-yl-[1]benzofuro[3,2-d]pyrimidine;2-(12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)-4-dibenzofuran-2-yl-[1]benzofuro[3,2-d]pyrimidine;2-(12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)-4-dibenzofuran-3-yl-[1]benzofuro[3,2-d]pyrimidine;2-(12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)-4-dibenzofuran-4-yl-[1]benzofuro[3,2-d]pyrimidine?

2-(12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)-4-dibenzofuran-1-yl-[1]benzofuro[3,2-d]pyrimidine;2-(12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)-4-dibenzofuran-2-yl-[1]benzofuro[3,2-d]pyrimidine;2-(12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)-4-dibenzofuran-3-yl-[1]benzofuro[3,2-d]pyrimidine;2-(12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)-4-dibenzofuran-4-yl-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 2406.66 g/mol, XLogP of 46.80, 8 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)-4-dibenzofuran-1-yl-[1]benzofuro[3,2-d]pyrimidine;2-(12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)-4-dibenzofuran-2-yl-[1]benzofuro[3,2-d]pyrimidine;2-(12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)-4-dibenzofuran-3-yl-[1]benzofuro[3,2-d]pyrimidine;2-(12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)-4-dibenzofuran-4-yl-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 159365372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).