2-[3-(12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)naphthalen-1-yl]-4-carbazol-9-yl-[1]benzofuro[3,2-d]pyrimidine;2-[5-(12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)naphthalen-1-yl]-4-pyridin-2-yl-[1]benzofuro[3,2-d]pyrimidine;2-[2-(12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)phenyl]-4-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-d]pyrimidine;2-[4-(12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)phenyl]-4-pyridin-3-yl-[1]benzofuro[3,2-d]pyrimidine

C192H112N16O4 — CID 162175034

About 2-[3-(12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)naphthalen-1-yl]-4-carbazol-9-yl-[1]benzofuro[3,2-d]pyrimidine;2-[5-(12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)naphthalen-1-yl]-4-pyridin-2-yl-[1]benzofuro[3,2-d]pyrimidine;2-[2-(12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)phenyl]-4-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-d]pyrimidine;2-[4-(12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)phenyl]-4-pyridin-3-yl-[1]benzofuro[3,2-d]pyrimidine

2-[3-(12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)naphthalen-1-yl]-4-carbazol-9-yl-[1]benzofuro[3,2-d]pyrimidine;2-[5-(12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)naphthalen-1-yl]-4-pyridin-2-yl-[1]benzofuro[3,2-d]pyrimidine;2-[2-(12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)phenyl]-4-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-d]pyrimidine;2-[4-(12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)phenyl]-4-pyridin-3-yl-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 162175034) has the molecular formula C192H112N16O4 and a molecular weight of 2707.12 g/mol. Its IUPAC name is 2-[3-(12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)naphthalen-1-yl]-4-carbazol-9-yl-[1]benzofuro[3,2-d]pyrimidine;2-[5-(12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)naphthalen-1-yl]-4-pyridin-2-yl-[1]benzofuro[3,2-d]pyrimidine;2-[2-(12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)phenyl]-4-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-d]pyrimidine;2-[4-(12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)phenyl]-4-pyridin-3-yl-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

• Compound Name: 2-[3-(12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)naphthalen-1-yl]-4-carbazol-9-yl-[1]benzofuro[3,2-d]pyrimidine;2-[5-(12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)naphthalen-1-yl]-4-pyridin-2-yl-[1]benzofuro[3,2-d]pyrimidine;2-[2-(12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)phenyl]-4-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-d]pyrimidine;2-[4-(12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)phenyl]-4-pyridin-3-yl-[1]benzofuro[3,2-d]pyrimidine
• PubChem CID: 162175034
• Molecular Formula: C192H112N16O4
• Molecular Weight: 2707.12 g/mol
• Exact Mass: 2704.91
• IUPAC Name: 2-[3-(12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)naphthalen-1-yl]-4-carbazol-9-yl-[1]benzofuro[3,2-d]pyrimidine;2-[5-(12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)naphthalen-1-yl]-4-pyridin-2-yl-[1]benzofuro[3,2-d]pyrimidine;2-[2-(12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)phenyl]-4-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-d]pyrimidine;2-[4-(12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)phenyl]-4-pyridin-3-yl-[1]benzofuro[3,2-d]pyrimidine
• SMILES: c1ccc(-c2nc(-c3cccc4c(N5c6c(ccc7ccccc67)-c6cccc7cccc5c67)cccc34)nc3c2oc2ccccc23)nc1.c1ccc(-n2c3ccccc3c3ccc(-c4nc(-c5ccccc5N5c6c(ccc7ccccc67)-c6cccc7cccc5c67)nc5c4oc4ccccc45)cc32)cc1.c1ccc2c(-c3nc(-n4c5ccccc5c5ccccc54)c4oc5ccccc5c4n3)cc(N3c4c(ccc5ccccc45)-c4cccc5cccc3c45)cc2c1.c1cncc(-c2nc(-c3ccc(N4c5c(ccc6ccccc56)-c5cccc6cccc4c56)cc3)nc3c2oc2ccccc23)c1
• InChI: InChI=1S/C54H32N4O.C52H30N4O.C45H26N4O.C41H24N4O/c1-2-17-36(18-3-1)57-44-24-9-6-20-38(44)39-30-29-35(32-47(39)57)50-53-51(43-22-8-11-27-48(43)59-53)56-54(55-50)42-21-7-10-25-45(42)58-46-26-13-16-34-15-12-23-40(49(34)46)41-31-28-33-14-4-5-19-37(33)52(41)58;1-4-18-36-31(13-1)27-28-40-39-22-11-15-32-16-12-25-45(47(32)39)55(49(36)40)34-29-33-14-2-3-17-35(33)42(30-34)51-53-48-41-21-7-10-26-46(41)57-50(48)52(54-51)56-43-23-8-5-19-37(43)38-20-6-9-24-44(38)56;1-2-14-29-27(11-1)24-25-33-32-18-7-12-28-13-8-22-38(40(28)32)49(43(29)33)37-21-10-16-30-31(37)17-9-19-34(30)45-47-41-35-15-3-4-23-39(35)50-44(41)42(48-45)36-20-5-6-26-46-36;1-2-12-30-25(8-1)19-22-32-31-14-5-9-26-10-6-15-34(36(26)31)45(39(30)32)29-20-17-27(18-21-29)41-43-37(28-11-7-23-42-24-28)40-38(44-41)33-13-3-4-16-35(33)46-40/h1-32H;1-30H;1-26H;1-24H
• InChIKey: ZOGYHUWNUSUVIR-UHFFFAOYSA-N
• XLogP: 51.49
• TPSA: 204.28 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 13
• Heavy Atoms: 212
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2707.12
LogP ≤ 5	51.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 2-[3-(12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)naphthalen-1-yl]-4-carbazol-9-yl-[1]benzofuro[3,2-d]pyrimidine;2-[5-(12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)naphthalen-1-yl]-4-pyridin-2-yl-[1]benzofuro[3,2-d]pyrimidine;2-[2-(12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)phenyl]-4-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-d]pyrimidine;2-[4-(12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)phenyl]-4-pyridin-3-yl-[1]benzofuro[3,2-d]pyrimidine?

The IUPAC name of 2-[3-(12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)naphthalen-1-yl]-4-carbazol-9-yl-[1]benzofuro[3,2-d]pyrimidine;2-[5-(12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)naphthalen-1-yl]-4-pyridin-2-yl-[1]benzofuro[3,2-d]pyrimidine;2-[2-(12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)phenyl]-4-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-d]pyrimidine;2-[4-(12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)phenyl]-4-pyridin-3-yl-[1]benzofuro[3,2-d]pyrimidine (CID 162175034) is 2-[3-(12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)naphthalen-1-yl]-4-carbazol-9-yl-[1]benzofuro[3,2-d]pyrimidine;2-[5-(12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)naphthalen-1-yl]-4-pyridin-2-yl-[1]benzofuro[3,2-d]pyrimidine;2-[2-(12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)phenyl]-4-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-d]pyrimidine;2-[4-(12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)phenyl]-4-pyridin-3-yl-[1]benzofuro[3,2-d]pyrimidine.

What is the SMILES notation for 2-[3-(12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)naphthalen-1-yl]-4-carbazol-9-yl-[1]benzofuro[3,2-d]pyrimidine;2-[5-(12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)naphthalen-1-yl]-4-pyridin-2-yl-[1]benzofuro[3,2-d]pyrimidine;2-[2-(12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)phenyl]-4-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-d]pyrimidine;2-[4-(12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)phenyl]-4-pyridin-3-yl-[1]benzofuro[3,2-d]pyrimidine?

The canonical SMILES for 2-[3-(12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)naphthalen-1-yl]-4-carbazol-9-yl-[1]benzofuro[3,2-d]pyrimidine;2-[5-(12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)naphthalen-1-yl]-4-pyridin-2-yl-[1]benzofuro[3,2-d]pyrimidine;2-[2-(12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)phenyl]-4-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-d]pyrimidine;2-[4-(12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)phenyl]-4-pyridin-3-yl-[1]benzofuro[3,2-d]pyrimidine is c1ccc(-c2nc(-c3cccc4c(N5c6c(ccc7ccccc67)-c6cccc7cccc5c67)cccc34)nc3c2oc2ccccc23)nc1.c1ccc(-n2c3ccccc3c3ccc(-c4nc(-c5ccccc5N5c6c(ccc7ccccc67)-c6cccc7cccc5c67)nc5c4oc4ccccc45)cc32)cc1.c1ccc2c(-c3nc(-n4c5ccccc5c5ccccc54)c4oc5ccccc5c4n3)cc(N3c4c(ccc5ccccc45)-c4cccc5cccc3c45)cc2c1.c1cncc(-c2nc(-c3ccc(N4c5c(ccc6ccccc56)-c5cccc6cccc4c56)cc3)nc3c2oc2ccccc23)c1.

What is the InChIKey of 2-[3-(12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)naphthalen-1-yl]-4-carbazol-9-yl-[1]benzofuro[3,2-d]pyrimidine;2-[5-(12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)naphthalen-1-yl]-4-pyridin-2-yl-[1]benzofuro[3,2-d]pyrimidine;2-[2-(12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)phenyl]-4-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-d]pyrimidine;2-[4-(12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)phenyl]-4-pyridin-3-yl-[1]benzofuro[3,2-d]pyrimidine?

The InChIKey is ZOGYHUWNUSUVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H32N4O.C52H30N4O.C45H26N4O.C41H24N4O/c1-2-17-36(18-3-1)57-44-24-9-6-20-38(44)39-30-29-35(32-47(39)57)50-53-51(43-22-8-11-27-48(43)59-53)56-54(55-50)42-21-7-10-25-45(42)58-46-26-13-16-34-15-12-23-40(49(34)46)41-31-28-33-14-4-5-19-37(33)52(41)58;1-4-18-36-31(13-1)27-28-40-39-22-11-15-32-16-12-25-45(47(32)39)55(49(36)40)34-29-33-14-2-3-17-35(33)42(30-34)51-53-48-41-21-7-10-26-46(41)57-50(48)52(54-51)56-43-23-8-5-19-37(43)38-20-6-9-24-44(38)56;1-2-14-29-27(11-1)24-25-33-32-18-7-12-28-13-8-22-38(40(28)32)49(43(29)33)37-21-10-16-30-31(37)17-9-19-34(30)45-47-41-35-15-3-4-23-39(35)50-44(41)42(48-45)36-20-5-6-26-46-36;1-2-12-30-25(8-1)19-22-32-31-14-5-9-26-10-6-15-34(36(26)31)45(39(30)32)29-20-17-27(18-21-29)41-43-37(28-11-7-23-42-24-28)40-38(44-41)33-13-3-4-16-35(33)46-40/h1-32H;1-30H;1-26H;1-24H.

What are the key properties of 2-[3-(12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)naphthalen-1-yl]-4-carbazol-9-yl-[1]benzofuro[3,2-d]pyrimidine;2-[5-(12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)naphthalen-1-yl]-4-pyridin-2-yl-[1]benzofuro[3,2-d]pyrimidine;2-[2-(12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)phenyl]-4-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-d]pyrimidine;2-[4-(12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)phenyl]-4-pyridin-3-yl-[1]benzofuro[3,2-d]pyrimidine?

2-[3-(12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)naphthalen-1-yl]-4-carbazol-9-yl-[1]benzofuro[3,2-d]pyrimidine;2-[5-(12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)naphthalen-1-yl]-4-pyridin-2-yl-[1]benzofuro[3,2-d]pyrimidine;2-[2-(12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)phenyl]-4-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-d]pyrimidine;2-[4-(12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)phenyl]-4-pyridin-3-yl-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 2707.12 g/mol, XLogP of 51.49, 13 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)naphthalen-1-yl]-4-carbazol-9-yl-[1]benzofuro[3,2-d]pyrimidine;2-[5-(12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)naphthalen-1-yl]-4-pyridin-2-yl-[1]benzofuro[3,2-d]pyrimidine;2-[2-(12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)phenyl]-4-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-d]pyrimidine;2-[4-(12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)phenyl]-4-pyridin-3-yl-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 162175034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).