12-(4-dibenzofuran-4-ylphenyl)-11-phenylindolo[2,3-i]phenanthridine;12-(4-dibenzothiophen-4-ylphenyl)-11-phenylindolo[2,3-i]phenanthridine;12-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-11-phenylindolo[2,3-i]phenanthridine;2-phenyl-5-[4-[4-(11-phenylindolo[2,3-i]phenanthridin-12-yl)phenyl]phenyl]-1,3,4-oxadiazole

C179H111N11O2S — CID 160716467

About 12-(4-dibenzofuran-4-ylphenyl)-11-phenylindolo[2,3-i]phenanthridine;12-(4-dibenzothiophen-4-ylphenyl)-11-phenylindolo[2,3-i]phenanthridine;12-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-11-phenylindolo[2,3-i]phenanthridine;2-phenyl-5-[4-[4-(11-phenylindolo[2,3-i]phenanthridin-12-yl)phenyl]phenyl]-1,3,4-oxadiazole

12-(4-dibenzofuran-4-ylphenyl)-11-phenylindolo[2,3-i]phenanthridine;12-(4-dibenzothiophen-4-ylphenyl)-11-phenylindolo[2,3-i]phenanthridine;12-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-11-phenylindolo[2,3-i]phenanthridine;2-phenyl-5-[4-[4-(11-phenylindolo[2,3-i]phenanthridin-12-yl)phenyl]phenyl]-1,3,4-oxadiazole (PubChem CID 160716467) has the molecular formula C179H111N11O2S and a molecular weight of 2480.00 g/mol. Its IUPAC name is 12-(4-dibenzofuran-4-ylphenyl)-11-phenylindolo[2,3-i]phenanthridine;12-(4-dibenzothiophen-4-ylphenyl)-11-phenylindolo[2,3-i]phenanthridine;12-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-11-phenylindolo[2,3-i]phenanthridine;2-phenyl-5-[4-[4-(11-phenylindolo[2,3-i]phenanthridin-12-yl)phenyl]phenyl]-1,3,4-oxadiazole.

Molecular Properties

• Compound Name: 12-(4-dibenzofuran-4-ylphenyl)-11-phenylindolo[2,3-i]phenanthridine;12-(4-dibenzothiophen-4-ylphenyl)-11-phenylindolo[2,3-i]phenanthridine;12-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-11-phenylindolo[2,3-i]phenanthridine;2-phenyl-5-[4-[4-(11-phenylindolo[2,3-i]phenanthridin-12-yl)phenyl]phenyl]-1,3,4-oxadiazole
• PubChem CID: 160716467
• Molecular Formula: C179H111N11O2S
• Molecular Weight: 2480.00 g/mol
• Exact Mass: 2477.86
• IUPAC Name: 12-(4-dibenzofuran-4-ylphenyl)-11-phenylindolo[2,3-i]phenanthridine;12-(4-dibenzothiophen-4-ylphenyl)-11-phenylindolo[2,3-i]phenanthridine;12-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-11-phenylindolo[2,3-i]phenanthridine;2-phenyl-5-[4-[4-(11-phenylindolo[2,3-i]phenanthridin-12-yl)phenyl]phenyl]-1,3,4-oxadiazole
• SMILES: c1ccc(-c2cc(-c3ccc(-c4nc5ccccc5c5ccc6c7ccccc7n(-c7ccccc7)c6c45)cc3)cc(-c3ccccc3)n2)cc1.c1ccc(-c2nnc(-c3ccc(-c4ccc(-c5nc6ccccc6c6ccc7c8ccccc8n(-c8ccccc8)c7c56)cc4)cc3)o2)cc1.c1ccc(-n2c3ccccc3c3ccc4c5ccccc5nc(-c5ccc(-c6cccc7c6oc6ccccc67)cc5)c4c32)cc1.c1ccc(-n2c3ccccc3c3ccc4c5ccccc5nc(-c5ccc(-c6cccc7c6sc6ccccc67)cc5)c4c32)cc1
• InChI: InChI=1S/C48H31N3.C45H28N4O.C43H26N2O.C43H26N2S/c1-4-14-33(15-5-1)43-30-36(31-44(49-43)34-16-6-2-7-17-34)32-24-26-35(27-25-32)47-46-40(38-20-10-12-22-42(38)50-47)28-29-41-39-21-11-13-23-45(39)51(48(41)46)37-18-8-3-9-19-37;1-3-11-32(12-4-1)44-47-48-45(50-44)33-25-21-30(22-26-33)29-19-23-31(24-20-29)42-41-37(35-15-7-9-17-39(35)46-42)27-28-38-36-16-8-10-18-40(36)49(43(38)41)34-13-5-2-6-14-34;2*1-2-11-29(12-3-1)45-38-19-8-5-14-32(38)35-26-25-34-31-13-4-7-18-37(31)44-41(40(34)42(35)45)28-23-21-27(22-24-28)30-16-10-17-36-33-15-6-9-20-39(33)46-43(30)36/h1-31H;1-28H;2*1-26H
• InChIKey: RSNOZBCZBKFQBA-UHFFFAOYSA-N
• XLogP: 47.99
• TPSA: 136.23 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 16
• Heavy Atoms: 193
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2480.00
LogP ≤ 5	47.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 12-(4-dibenzofuran-4-ylphenyl)-11-phenylindolo[2,3-i]phenanthridine;12-(4-dibenzothiophen-4-ylphenyl)-11-phenylindolo[2,3-i]phenanthridine;12-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-11-phenylindolo[2,3-i]phenanthridine;2-phenyl-5-[4-[4-(11-phenylindolo[2,3-i]phenanthridin-12-yl)phenyl]phenyl]-1,3,4-oxadiazole?

The IUPAC name of 12-(4-dibenzofuran-4-ylphenyl)-11-phenylindolo[2,3-i]phenanthridine;12-(4-dibenzothiophen-4-ylphenyl)-11-phenylindolo[2,3-i]phenanthridine;12-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-11-phenylindolo[2,3-i]phenanthridine;2-phenyl-5-[4-[4-(11-phenylindolo[2,3-i]phenanthridin-12-yl)phenyl]phenyl]-1,3,4-oxadiazole (CID 160716467) is 12-(4-dibenzofuran-4-ylphenyl)-11-phenylindolo[2,3-i]phenanthridine;12-(4-dibenzothiophen-4-ylphenyl)-11-phenylindolo[2,3-i]phenanthridine;12-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-11-phenylindolo[2,3-i]phenanthridine;2-phenyl-5-[4-[4-(11-phenylindolo[2,3-i]phenanthridin-12-yl)phenyl]phenyl]-1,3,4-oxadiazole.

What is the SMILES notation for 12-(4-dibenzofuran-4-ylphenyl)-11-phenylindolo[2,3-i]phenanthridine;12-(4-dibenzothiophen-4-ylphenyl)-11-phenylindolo[2,3-i]phenanthridine;12-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-11-phenylindolo[2,3-i]phenanthridine;2-phenyl-5-[4-[4-(11-phenylindolo[2,3-i]phenanthridin-12-yl)phenyl]phenyl]-1,3,4-oxadiazole?

The canonical SMILES for 12-(4-dibenzofuran-4-ylphenyl)-11-phenylindolo[2,3-i]phenanthridine;12-(4-dibenzothiophen-4-ylphenyl)-11-phenylindolo[2,3-i]phenanthridine;12-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-11-phenylindolo[2,3-i]phenanthridine;2-phenyl-5-[4-[4-(11-phenylindolo[2,3-i]phenanthridin-12-yl)phenyl]phenyl]-1,3,4-oxadiazole is c1ccc(-c2cc(-c3ccc(-c4nc5ccccc5c5ccc6c7ccccc7n(-c7ccccc7)c6c45)cc3)cc(-c3ccccc3)n2)cc1.c1ccc(-c2nnc(-c3ccc(-c4ccc(-c5nc6ccccc6c6ccc7c8ccccc8n(-c8ccccc8)c7c56)cc4)cc3)o2)cc1.c1ccc(-n2c3ccccc3c3ccc4c5ccccc5nc(-c5ccc(-c6cccc7c6oc6ccccc67)cc5)c4c32)cc1.c1ccc(-n2c3ccccc3c3ccc4c5ccccc5nc(-c5ccc(-c6cccc7c6sc6ccccc67)cc5)c4c32)cc1.

What is the InChIKey of 12-(4-dibenzofuran-4-ylphenyl)-11-phenylindolo[2,3-i]phenanthridine;12-(4-dibenzothiophen-4-ylphenyl)-11-phenylindolo[2,3-i]phenanthridine;12-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-11-phenylindolo[2,3-i]phenanthridine;2-phenyl-5-[4-[4-(11-phenylindolo[2,3-i]phenanthridin-12-yl)phenyl]phenyl]-1,3,4-oxadiazole?

The InChIKey is RSNOZBCZBKFQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31N3.C45H28N4O.C43H26N2O.C43H26N2S/c1-4-14-33(15-5-1)43-30-36(31-44(49-43)34-16-6-2-7-17-34)32-24-26-35(27-25-32)47-46-40(38-20-10-12-22-42(38)50-47)28-29-41-39-21-11-13-23-45(39)51(48(41)46)37-18-8-3-9-19-37;1-3-11-32(12-4-1)44-47-48-45(50-44)33-25-21-30(22-26-33)29-19-23-31(24-20-29)42-41-37(35-15-7-9-17-39(35)46-42)27-28-38-36-16-8-10-18-40(36)49(43(38)41)34-13-5-2-6-14-34;2*1-2-11-29(12-3-1)45-38-19-8-5-14-32(38)35-26-25-34-31-13-4-7-18-37(31)44-41(40(34)42(35)45)28-23-21-27(22-24-28)30-16-10-17-36-33-15-6-9-20-39(33)46-43(30)36/h1-31H;1-28H;2*1-26H.

What are the key properties of 12-(4-dibenzofuran-4-ylphenyl)-11-phenylindolo[2,3-i]phenanthridine;12-(4-dibenzothiophen-4-ylphenyl)-11-phenylindolo[2,3-i]phenanthridine;12-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-11-phenylindolo[2,3-i]phenanthridine;2-phenyl-5-[4-[4-(11-phenylindolo[2,3-i]phenanthridin-12-yl)phenyl]phenyl]-1,3,4-oxadiazole?

12-(4-dibenzofuran-4-ylphenyl)-11-phenylindolo[2,3-i]phenanthridine;12-(4-dibenzothiophen-4-ylphenyl)-11-phenylindolo[2,3-i]phenanthridine;12-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-11-phenylindolo[2,3-i]phenanthridine;2-phenyl-5-[4-[4-(11-phenylindolo[2,3-i]phenanthridin-12-yl)phenyl]phenyl]-1,3,4-oxadiazole has a molecular weight of 2480.00 g/mol, XLogP of 47.99, 16 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 12-(4-dibenzofuran-4-ylphenyl)-11-phenylindolo[2,3-i]phenanthridine;12-(4-dibenzothiophen-4-ylphenyl)-11-phenylindolo[2,3-i]phenanthridine;12-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-11-phenylindolo[2,3-i]phenanthridine;2-phenyl-5-[4-[4-(11-phenylindolo[2,3-i]phenanthridin-12-yl)phenyl]phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 160716467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).