9-dibenzofuran-2-yl-14-[3-(3-phenylquinoxalin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-dibenzothiophen-2-yl-14-[3-(3-phenylquinoxalin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(9,9-dimethylfluoren-1-yl)-14-[3-(3-phenylquinoxalin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(9,9-dimethylfluoren-2-yl)-14-[3-(3-phenylquinoxalin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

C206H132N16OS — CID 157215131

About 9-dibenzofuran-2-yl-14-[3-(3-phenylquinoxalin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-dibenzothiophen-2-yl-14-[3-(3-phenylquinoxalin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(9,9-dimethylfluoren-1-yl)-14-[3-(3-phenylquinoxalin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(9,9-dimethylfluoren-2-yl)-14-[3-(3-phenylquinoxalin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

9-dibenzofuran-2-yl-14-[3-(3-phenylquinoxalin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-dibenzothiophen-2-yl-14-[3-(3-phenylquinoxalin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(9,9-dimethylfluoren-1-yl)-14-[3-(3-phenylquinoxalin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(9,9-dimethylfluoren-2-yl)-14-[3-(3-phenylquinoxalin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene (PubChem CID 157215131) has the molecular formula C206H132N16OS and a molecular weight of 2879.50 g/mol. Its IUPAC name is 9-dibenzofuran-2-yl-14-[3-(3-phenylquinoxalin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-dibenzothiophen-2-yl-14-[3-(3-phenylquinoxalin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(9,9-dimethylfluoren-1-yl)-14-[3-(3-phenylquinoxalin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(9,9-dimethylfluoren-2-yl)-14-[3-(3-phenylquinoxalin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene.

Molecular Properties

• Compound Name: 9-dibenzofuran-2-yl-14-[3-(3-phenylquinoxalin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-dibenzothiophen-2-yl-14-[3-(3-phenylquinoxalin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(9,9-dimethylfluoren-1-yl)-14-[3-(3-phenylquinoxalin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(9,9-dimethylfluoren-2-yl)-14-[3-(3-phenylquinoxalin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
• PubChem CID: 157215131
• Molecular Formula: C206H132N16OS
• Molecular Weight: 2879.50 g/mol
• Exact Mass: 2877.05
• IUPAC Name: 9-dibenzofuran-2-yl-14-[3-(3-phenylquinoxalin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-dibenzothiophen-2-yl-14-[3-(3-phenylquinoxalin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(9,9-dimethylfluoren-1-yl)-14-[3-(3-phenylquinoxalin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(9,9-dimethylfluoren-2-yl)-14-[3-(3-phenylquinoxalin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
• SMILES: CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4c5c6ccccc6n(-c6cccc(-c7nc8ccccc8nc7-c7ccccc7)c6)c5ccc43)cc21.CC1(C)c2ccccc2-c2cccc(-n3c4ccccc4c4c5c6ccccc6n(-c6cccc(-c7nc8ccccc8nc7-c7ccccc7)c6)c5ccc43)c21.c1ccc(-c2nc3ccccc3nc2-c2cccc(-n3c4ccccc4c4c5c6ccccc6n(-c6ccc7oc8ccccc8c7c6)c5ccc43)c2)cc1.c1ccc(-c2nc3ccccc3nc2-c2cccc(-n3c4ccccc4c4c5c6ccccc6n(-c6ccc7sc8ccccc8c7c6)c5ccc43)c2)cc1
• InChI: InChI=1S/2C53H36N4.C50H30N4O.C50H30N4S/c1-53(2)40-24-9-6-20-36(40)37-23-15-29-47(50(37)53)57-44-28-13-8-22-39(44)49-46(57)31-30-45-48(49)38-21-7-12-27-43(38)56(45)35-19-14-18-34(32-35)52-51(33-16-4-3-5-17-33)54-41-25-10-11-26-42(41)55-52;1-53(2)41-22-9-6-19-37(41)38-28-27-36(32-42(38)53)57-46-26-13-8-21-40(46)50-48(57)30-29-47-49(50)39-20-7-12-25-45(39)56(47)35-18-14-17-34(31-35)52-51(33-15-4-3-5-16-33)54-43-23-10-11-24-44(43)55-52;2*1-2-13-31(14-3-1)49-50(52-40-21-8-7-20-39(40)51-49)32-15-12-16-33(29-32)53-41-22-9-4-18-36(41)47-43(53)26-27-44-48(47)37-19-5-10-23-42(37)54(44)34-25-28-46-38(30-34)35-17-6-11-24-45(35)55-46/h2*3-32H,1-2H3;2*1-30H
• InChIKey: ASICUPMTUJJLRP-UHFFFAOYSA-N
• XLogP: 53.51
• TPSA: 155.70 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 16
• Heavy Atoms: 224
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2879.50
LogP ≤ 5	53.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 9-dibenzofuran-2-yl-14-[3-(3-phenylquinoxalin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-dibenzothiophen-2-yl-14-[3-(3-phenylquinoxalin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(9,9-dimethylfluoren-1-yl)-14-[3-(3-phenylquinoxalin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(9,9-dimethylfluoren-2-yl)-14-[3-(3-phenylquinoxalin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?

The IUPAC name of 9-dibenzofuran-2-yl-14-[3-(3-phenylquinoxalin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-dibenzothiophen-2-yl-14-[3-(3-phenylquinoxalin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(9,9-dimethylfluoren-1-yl)-14-[3-(3-phenylquinoxalin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(9,9-dimethylfluoren-2-yl)-14-[3-(3-phenylquinoxalin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene (CID 157215131) is 9-dibenzofuran-2-yl-14-[3-(3-phenylquinoxalin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-dibenzothiophen-2-yl-14-[3-(3-phenylquinoxalin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(9,9-dimethylfluoren-1-yl)-14-[3-(3-phenylquinoxalin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(9,9-dimethylfluoren-2-yl)-14-[3-(3-phenylquinoxalin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene.

What is the SMILES notation for 9-dibenzofuran-2-yl-14-[3-(3-phenylquinoxalin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-dibenzothiophen-2-yl-14-[3-(3-phenylquinoxalin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(9,9-dimethylfluoren-1-yl)-14-[3-(3-phenylquinoxalin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(9,9-dimethylfluoren-2-yl)-14-[3-(3-phenylquinoxalin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?

The canonical SMILES for 9-dibenzofuran-2-yl-14-[3-(3-phenylquinoxalin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-dibenzothiophen-2-yl-14-[3-(3-phenylquinoxalin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(9,9-dimethylfluoren-1-yl)-14-[3-(3-phenylquinoxalin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(9,9-dimethylfluoren-2-yl)-14-[3-(3-phenylquinoxalin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene is CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4c5c6ccccc6n(-c6cccc(-c7nc8ccccc8nc7-c7ccccc7)c6)c5ccc43)cc21.CC1(C)c2ccccc2-c2cccc(-n3c4ccccc4c4c5c6ccccc6n(-c6cccc(-c7nc8ccccc8nc7-c7ccccc7)c6)c5ccc43)c21.c1ccc(-c2nc3ccccc3nc2-c2cccc(-n3c4ccccc4c4c5c6ccccc6n(-c6ccc7oc8ccccc8c7c6)c5ccc43)c2)cc1.c1ccc(-c2nc3ccccc3nc2-c2cccc(-n3c4ccccc4c4c5c6ccccc6n(-c6ccc7sc8ccccc8c7c6)c5ccc43)c2)cc1.

What is the InChIKey of 9-dibenzofuran-2-yl-14-[3-(3-phenylquinoxalin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-dibenzothiophen-2-yl-14-[3-(3-phenylquinoxalin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(9,9-dimethylfluoren-1-yl)-14-[3-(3-phenylquinoxalin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(9,9-dimethylfluoren-2-yl)-14-[3-(3-phenylquinoxalin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?

The InChIKey is ASICUPMTUJJLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C53H36N4.C50H30N4O.C50H30N4S/c1-53(2)40-24-9-6-20-36(40)37-23-15-29-47(50(37)53)57-44-28-13-8-22-39(44)49-46(57)31-30-45-48(49)38-21-7-12-27-43(38)56(45)35-19-14-18-34(32-35)52-51(33-16-4-3-5-17-33)54-41-25-10-11-26-42(41)55-52;1-53(2)41-22-9-6-19-37(41)38-28-27-36(32-42(38)53)57-46-26-13-8-21-40(46)50-48(57)30-29-47-49(50)39-20-7-12-25-45(39)56(47)35-18-14-17-34(31-35)52-51(33-15-4-3-5-16-33)54-43-23-10-11-24-44(43)55-52;2*1-2-13-31(14-3-1)49-50(52-40-21-8-7-20-39(40)51-49)32-15-12-16-33(29-32)53-41-22-9-4-18-36(41)47-43(53)26-27-44-48(47)37-19-5-10-23-42(37)54(44)34-25-28-46-38(30-34)35-17-6-11-24-45(35)55-46/h2*3-32H,1-2H3;2*1-30H.

What are the key properties of 9-dibenzofuran-2-yl-14-[3-(3-phenylquinoxalin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-dibenzothiophen-2-yl-14-[3-(3-phenylquinoxalin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(9,9-dimethylfluoren-1-yl)-14-[3-(3-phenylquinoxalin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(9,9-dimethylfluoren-2-yl)-14-[3-(3-phenylquinoxalin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?

9-dibenzofuran-2-yl-14-[3-(3-phenylquinoxalin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-dibenzothiophen-2-yl-14-[3-(3-phenylquinoxalin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(9,9-dimethylfluoren-1-yl)-14-[3-(3-phenylquinoxalin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(9,9-dimethylfluoren-2-yl)-14-[3-(3-phenylquinoxalin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene has a molecular weight of 2879.50 g/mol, XLogP of 53.51, 16 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 9-dibenzofuran-2-yl-14-[3-(3-phenylquinoxalin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-dibenzothiophen-2-yl-14-[3-(3-phenylquinoxalin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(9,9-dimethylfluoren-1-yl)-14-[3-(3-phenylquinoxalin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(9,9-dimethylfluoren-2-yl)-14-[3-(3-phenylquinoxalin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene is sourced from PubChem (CID 157215131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).