9-(3-dibenzofuran-2-ylquinoxalin-2-yl)-14-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-(3,7-diphenylquinoxalin-2-yl)-14-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-(3-naphthalen-1-ylquinoxalin-2-yl)-14-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-(3-naphthalen-2-ylquinoxalin-2-yl)-14-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-(3-phenylquinoxalin-2-yl)-14-triphenylen-2-yl-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

C222H136N20O — CID 160675206

About 9-(3-dibenzofuran-2-ylquinoxalin-2-yl)-14-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-(3,7-diphenylquinoxalin-2-yl)-14-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-(3-naphthalen-1-ylquinoxalin-2-yl)-14-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-(3-naphthalen-2-ylquinoxalin-2-yl)-14-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-(3-phenylquinoxalin-2-yl)-14-triphenylen-2-yl-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-(3-dibenzofuran-2-ylquinoxalin-2-yl)-14-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-(3,7-diphenylquinoxalin-2-yl)-14-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-(3-naphthalen-1-ylquinoxalin-2-yl)-14-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-(3-naphthalen-2-ylquinoxalin-2-yl)-14-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-(3-phenylquinoxalin-2-yl)-14-triphenylen-2-yl-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 160675206) has the molecular formula C222H136N20O and a molecular weight of 3099.67 g/mol. Its IUPAC name is 9-(3-dibenzofuran-2-ylquinoxalin-2-yl)-14-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-(3,7-diphenylquinoxalin-2-yl)-14-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-(3-naphthalen-1-ylquinoxalin-2-yl)-14-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-(3-naphthalen-2-ylquinoxalin-2-yl)-14-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-(3-phenylquinoxalin-2-yl)-14-triphenylen-2-yl-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-(3-dibenzofuran-2-ylquinoxalin-2-yl)-14-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-(3,7-diphenylquinoxalin-2-yl)-14-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-(3-naphthalen-1-ylquinoxalin-2-yl)-14-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-(3-naphthalen-2-ylquinoxalin-2-yl)-14-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-(3-phenylquinoxalin-2-yl)-14-triphenylen-2-yl-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: 160675206
• Molecular Formula: C222H136N20O
• Molecular Weight: 3099.67 g/mol
• Exact Mass: 3097.12
• IUPAC Name: 9-(3-dibenzofuran-2-ylquinoxalin-2-yl)-14-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-(3,7-diphenylquinoxalin-2-yl)-14-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-(3-naphthalen-1-ylquinoxalin-2-yl)-14-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-(3-naphthalen-2-ylquinoxalin-2-yl)-14-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-(3-phenylquinoxalin-2-yl)-14-triphenylen-2-yl-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: c1ccc(-c2ccc3nc(-c4ccccc4)c(-n4c5ccccc5c5c6c7ccccc7n(-c7ccccc7)c6ccc54)nc3c2)cc1.c1ccc(-c2nc3ccccc3nc2-n2c3ccccc3c3c4c5ccccc5n(-c5ccc6c7ccccc7c7ccccc7c6c5)c4ccc32)cc1.c1ccc(-n2c3ccccc3c3c4c5ccccc5n(-c5nc6ccccc6nc5-c5ccc6ccccc6c5)c4ccc32)cc1.c1ccc(-n2c3ccccc3c3c4c5ccccc5n(-c5nc6ccccc6nc5-c5ccc6oc7ccccc7c6c5)c4ccc32)cc1.c1ccc(-n2c3ccccc3c3c4c5ccccc5n(-c5nc6ccccc6nc5-c5cccc6ccccc56)c4ccc32)cc1
• InChI: InChI=1S/C50H30N4.C44H26N4O.C44H28N4.2C42H26N4/c1-2-14-31(15-3-1)49-50(52-42-23-11-10-22-41(42)51-49)54-44-25-13-9-21-39(44)48-46(54)29-28-45-47(48)38-20-8-12-24-43(38)53(45)32-26-27-37-35-18-5-4-16-33(35)34-17-6-7-19-36(34)40(37)30-32;1-2-12-28(13-3-1)47-35-19-9-4-15-30(35)41-37(47)23-24-38-42(41)31-16-5-10-20-36(31)48(38)44-43(45-33-17-7-8-18-34(33)46-44)27-22-25-40-32(26-27)29-14-6-11-21-39(29)49-40;1-4-14-29(15-5-1)31-24-25-35-36(28-31)46-44(43(45-35)30-16-6-2-7-17-30)48-38-23-13-11-21-34(38)42-40(48)27-26-39-41(42)33-20-10-12-22-37(33)47(39)32-18-8-3-9-19-32;1-2-15-28(16-3-1)45-35-23-10-6-18-31(35)39-37(45)25-26-38-40(39)32-19-7-11-24-36(32)46(38)42-41(43-33-21-8-9-22-34(33)44-42)30-20-12-14-27-13-4-5-17-29(27)30;1-2-14-30(15-3-1)45-35-20-10-6-16-31(35)39-37(45)24-25-38-40(39)32-17-7-11-21-36(32)46(38)42-41(43-33-18-8-9-19-34(33)44-42)29-23-22-27-12-4-5-13-28(27)26-29/h1-30H;1-26H;1-28H;2*1-26H
• InChIKey: RNLCOCUYSXBCFZ-UHFFFAOYSA-N
• XLogP: 56.79
• TPSA: 191.34 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 16
• Heavy Atoms: 243
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3099.67
LogP ≤ 5	56.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-(3-dibenzofuran-2-ylquinoxalin-2-yl)-14-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-(3,7-diphenylquinoxalin-2-yl)-14-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-(3-naphthalen-1-ylquinoxalin-2-yl)-14-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-(3-naphthalen-2-ylquinoxalin-2-yl)-14-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-(3-phenylquinoxalin-2-yl)-14-triphenylen-2-yl-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-(3-dibenzofuran-2-ylquinoxalin-2-yl)-14-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-(3,7-diphenylquinoxalin-2-yl)-14-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-(3-naphthalen-1-ylquinoxalin-2-yl)-14-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-(3-naphthalen-2-ylquinoxalin-2-yl)-14-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-(3-phenylquinoxalin-2-yl)-14-triphenylen-2-yl-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 160675206) is 9-(3-dibenzofuran-2-ylquinoxalin-2-yl)-14-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-(3,7-diphenylquinoxalin-2-yl)-14-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-(3-naphthalen-1-ylquinoxalin-2-yl)-14-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-(3-naphthalen-2-ylquinoxalin-2-yl)-14-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-(3-phenylquinoxalin-2-yl)-14-triphenylen-2-yl-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-(3-dibenzofuran-2-ylquinoxalin-2-yl)-14-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-(3,7-diphenylquinoxalin-2-yl)-14-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-(3-naphthalen-1-ylquinoxalin-2-yl)-14-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-(3-naphthalen-2-ylquinoxalin-2-yl)-14-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-(3-phenylquinoxalin-2-yl)-14-triphenylen-2-yl-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-(3-dibenzofuran-2-ylquinoxalin-2-yl)-14-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-(3,7-diphenylquinoxalin-2-yl)-14-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-(3-naphthalen-1-ylquinoxalin-2-yl)-14-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-(3-naphthalen-2-ylquinoxalin-2-yl)-14-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-(3-phenylquinoxalin-2-yl)-14-triphenylen-2-yl-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 c1ccc(-c2ccc3nc(-c4ccccc4)c(-n4c5ccccc5c5c6c7ccccc7n(-c7ccccc7)c6ccc54)nc3c2)cc1.c1ccc(-c2nc3ccccc3nc2-n2c3ccccc3c3c4c5ccccc5n(-c5ccc6c7ccccc7c7ccccc7c6c5)c4ccc32)cc1.c1ccc(-n2c3ccccc3c3c4c5ccccc5n(-c5nc6ccccc6nc5-c5ccc6ccccc6c5)c4ccc32)cc1.c1ccc(-n2c3ccccc3c3c4c5ccccc5n(-c5nc6ccccc6nc5-c5ccc6oc7ccccc7c6c5)c4ccc32)cc1.c1ccc(-n2c3ccccc3c3c4c5ccccc5n(-c5nc6ccccc6nc5-c5cccc6ccccc56)c4ccc32)cc1.

What is the InChIKey of 9-(3-dibenzofuran-2-ylquinoxalin-2-yl)-14-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-(3,7-diphenylquinoxalin-2-yl)-14-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-(3-naphthalen-1-ylquinoxalin-2-yl)-14-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-(3-naphthalen-2-ylquinoxalin-2-yl)-14-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-(3-phenylquinoxalin-2-yl)-14-triphenylen-2-yl-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 RNLCOCUYSXBCFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30N4.C44H26N4O.C44H28N4.2C42H26N4/c1-2-14-31(15-3-1)49-50(52-42-23-11-10-22-41(42)51-49)54-44-25-13-9-21-39(44)48-46(54)29-28-45-47(48)38-20-8-12-24-43(38)53(45)32-26-27-37-35-18-5-4-16-33(35)34-17-6-7-19-36(34)40(37)30-32;1-2-12-28(13-3-1)47-35-19-9-4-15-30(35)41-37(47)23-24-38-42(41)31-16-5-10-20-36(31)48(38)44-43(45-33-17-7-8-18-34(33)46-44)27-22-25-40-32(26-27)29-14-6-11-21-39(29)49-40;1-4-14-29(15-5-1)31-24-25-35-36(28-31)46-44(43(45-35)30-16-6-2-7-17-30)48-38-23-13-11-21-34(38)42-40(48)27-26-39-41(42)33-20-10-12-22-37(33)47(39)32-18-8-3-9-19-32;1-2-15-28(16-3-1)45-35-23-10-6-18-31(35)39-37(45)25-26-38-40(39)32-19-7-11-24-36(32)46(38)42-41(43-33-21-8-9-22-34(33)44-42)30-20-12-14-27-13-4-5-17-29(27)30;1-2-14-30(15-3-1)45-35-20-10-6-16-31(35)39-37(45)24-25-38-40(39)32-17-7-11-21-36(32)46(38)42-41(43-33-18-8-9-19-34(33)44-42)29-23-22-27-12-4-5-13-28(27)26-29/h1-30H;1-26H;1-28H;2*1-26H.

What are the key properties of 9-(3-dibenzofuran-2-ylquinoxalin-2-yl)-14-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-(3,7-diphenylquinoxalin-2-yl)-14-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-(3-naphthalen-1-ylquinoxalin-2-yl)-14-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-(3-naphthalen-2-ylquinoxalin-2-yl)-14-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-(3-phenylquinoxalin-2-yl)-14-triphenylen-2-yl-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-(3-dibenzofuran-2-ylquinoxalin-2-yl)-14-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-(3,7-diphenylquinoxalin-2-yl)-14-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-(3-naphthalen-1-ylquinoxalin-2-yl)-14-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-(3-naphthalen-2-ylquinoxalin-2-yl)-14-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-(3-phenylquinoxalin-2-yl)-14-triphenylen-2-yl-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 3099.67 g/mol, XLogP of 56.79, 16 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(3-dibenzofuran-2-ylquinoxalin-2-yl)-14-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-(3,7-diphenylquinoxalin-2-yl)-14-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-(3-naphthalen-1-ylquinoxalin-2-yl)-14-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-(3-naphthalen-2-ylquinoxalin-2-yl)-14-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-(3-phenylquinoxalin-2-yl)-14-triphenylen-2-yl-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 160675206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).