3-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]-[1,2,4]triazolo[4,3-f]phenanthridine;3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-[1,2,4]triazolo[4,3-f]phenanthridine;3-[4-(2-dibenzothiophen-4-ylphenyl)phenyl]-[1,2,4]triazolo[4,3-f]phenanthridine;3-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-[1,2,4]triazolo[4,3-f]phenanthridine;3-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-[1,2,4]triazolo[4,3-f]phenanthridine

C190H115N15S5 — CID 158714430

About 3-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]-[1,2,4]triazolo[4,3-f]phenanthridine;3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-[1,2,4]triazolo[4,3-f]phenanthridine;3-[4-(2-dibenzothiophen-4-ylphenyl)phenyl]-[1,2,4]triazolo[4,3-f]phenanthridine;3-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-[1,2,4]triazolo[4,3-f]phenanthridine;3-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-[1,2,4]triazolo[4,3-f]phenanthridine

3-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]-[1,2,4]triazolo[4,3-f]phenanthridine;3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-[1,2,4]triazolo[4,3-f]phenanthridine;3-[4-(2-dibenzothiophen-4-ylphenyl)phenyl]-[1,2,4]triazolo[4,3-f]phenanthridine;3-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-[1,2,4]triazolo[4,3-f]phenanthridine;3-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-[1,2,4]triazolo[4,3-f]phenanthridine (PubChem CID 158714430) has the molecular formula C190H115N15S5 and a molecular weight of 2768.45 g/mol. Its IUPAC name is 3-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]-[1,2,4]triazolo[4,3-f]phenanthridine;3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-[1,2,4]triazolo[4,3-f]phenanthridine;3-[4-(2-dibenzothiophen-4-ylphenyl)phenyl]-[1,2,4]triazolo[4,3-f]phenanthridine;3-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-[1,2,4]triazolo[4,3-f]phenanthridine;3-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-[1,2,4]triazolo[4,3-f]phenanthridine.

Molecular Properties

• Compound Name: 3-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]-[1,2,4]triazolo[4,3-f]phenanthridine;3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-[1,2,4]triazolo[4,3-f]phenanthridine;3-[4-(2-dibenzothiophen-4-ylphenyl)phenyl]-[1,2,4]triazolo[4,3-f]phenanthridine;3-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-[1,2,4]triazolo[4,3-f]phenanthridine;3-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-[1,2,4]triazolo[4,3-f]phenanthridine
• PubChem CID: 158714430
• Molecular Formula: C190H115N15S5
• Molecular Weight: 2768.45 g/mol
• Exact Mass: 2765.81
• IUPAC Name: 3-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]-[1,2,4]triazolo[4,3-f]phenanthridine;3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-[1,2,4]triazolo[4,3-f]phenanthridine;3-[4-(2-dibenzothiophen-4-ylphenyl)phenyl]-[1,2,4]triazolo[4,3-f]phenanthridine;3-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-[1,2,4]triazolo[4,3-f]phenanthridine;3-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-[1,2,4]triazolo[4,3-f]phenanthridine
• SMILES: c1cc(-c2ccc(-c3nnc4c5ccccc5c5ccccc5n34)cc2)cc(-c2cccc3c2sc2ccccc23)c1.c1cc(-c2cccc(-c3nnc4c5ccccc5c5ccccc5n34)c2)cc(-c2cccc3c2sc2ccccc23)c1.c1ccc(-c2cccc3c2sc2ccccc23)c(-c2ccc(-c3nnc4c5ccccc5c5ccccc5n34)cc2)c1.c1ccc(-c2cccc3c2sc2ccccc23)c(-c2ccccc2-c2nnc3c4ccccc4c4ccccc4n23)c1.c1ccc2c(c1)sc1c(-c3ccc(-c4ccc(-c5nnc6c7ccccc7c7ccccc7n56)cc4)cc3)cccc12
• InChI: InChI=1S/5C38H23N3S/c1-2-17-33-29(14-1)30-15-3-5-20-34(30)41-37(39-40-38(33)41)27-13-8-11-25(23-27)24-10-7-12-26(22-24)28-18-9-19-32-31-16-4-6-21-35(31)42-36(28)32;1-2-13-25(30-20-11-21-31-29-17-8-10-23-35(29)42-36(30)31)24(12-1)26-14-3-5-18-32(26)37-39-40-38-33-19-6-4-15-27(33)28-16-7-9-22-34(28)41(37)38;1-2-14-33-29(11-1)30-12-3-5-17-34(30)41-37(39-40-38(33)41)25-21-19-24(20-22-25)26-9-7-10-27(23-26)28-15-8-16-32-31-13-4-6-18-35(31)42-36(28)32;1-2-11-33-29(8-1)30-9-3-5-14-34(30)41-37(39-40-38(33)41)27-22-18-25(19-23-27)24-16-20-26(21-17-24)28-12-7-13-32-31-10-4-6-15-35(31)42-36(28)32;1-2-11-27(31-16-9-17-32-30-14-6-8-19-35(30)42-36(31)32)26(10-1)24-20-22-25(23-21-24)37-39-40-38-33-15-4-3-12-28(33)29-13-5-7-18-34(29)41(37)38/h5*1-23H
• InChIKey: IJDCOEIMDXMRLG-UHFFFAOYSA-N
• XLogP: 52.02
• TPSA: 150.95 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 15
• Heavy Atoms: 210
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2768.45
LogP ≤ 5	52.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]-[1,2,4]triazolo[4,3-f]phenanthridine;3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-[1,2,4]triazolo[4,3-f]phenanthridine;3-[4-(2-dibenzothiophen-4-ylphenyl)phenyl]-[1,2,4]triazolo[4,3-f]phenanthridine;3-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-[1,2,4]triazolo[4,3-f]phenanthridine;3-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-[1,2,4]triazolo[4,3-f]phenanthridine?

The IUPAC name of 3-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]-[1,2,4]triazolo[4,3-f]phenanthridine;3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-[1,2,4]triazolo[4,3-f]phenanthridine;3-[4-(2-dibenzothiophen-4-ylphenyl)phenyl]-[1,2,4]triazolo[4,3-f]phenanthridine;3-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-[1,2,4]triazolo[4,3-f]phenanthridine;3-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-[1,2,4]triazolo[4,3-f]phenanthridine (CID 158714430) is 3-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]-[1,2,4]triazolo[4,3-f]phenanthridine;3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-[1,2,4]triazolo[4,3-f]phenanthridine;3-[4-(2-dibenzothiophen-4-ylphenyl)phenyl]-[1,2,4]triazolo[4,3-f]phenanthridine;3-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-[1,2,4]triazolo[4,3-f]phenanthridine;3-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-[1,2,4]triazolo[4,3-f]phenanthridine.

What is the SMILES notation for 3-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]-[1,2,4]triazolo[4,3-f]phenanthridine;3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-[1,2,4]triazolo[4,3-f]phenanthridine;3-[4-(2-dibenzothiophen-4-ylphenyl)phenyl]-[1,2,4]triazolo[4,3-f]phenanthridine;3-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-[1,2,4]triazolo[4,3-f]phenanthridine;3-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-[1,2,4]triazolo[4,3-f]phenanthridine?

The canonical SMILES for 3-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]-[1,2,4]triazolo[4,3-f]phenanthridine;3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-[1,2,4]triazolo[4,3-f]phenanthridine;3-[4-(2-dibenzothiophen-4-ylphenyl)phenyl]-[1,2,4]triazolo[4,3-f]phenanthridine;3-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-[1,2,4]triazolo[4,3-f]phenanthridine;3-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-[1,2,4]triazolo[4,3-f]phenanthridine is c1cc(-c2ccc(-c3nnc4c5ccccc5c5ccccc5n34)cc2)cc(-c2cccc3c2sc2ccccc23)c1.c1cc(-c2cccc(-c3nnc4c5ccccc5c5ccccc5n34)c2)cc(-c2cccc3c2sc2ccccc23)c1.c1ccc(-c2cccc3c2sc2ccccc23)c(-c2ccc(-c3nnc4c5ccccc5c5ccccc5n34)cc2)c1.c1ccc(-c2cccc3c2sc2ccccc23)c(-c2ccccc2-c2nnc3c4ccccc4c4ccccc4n23)c1.c1ccc2c(c1)sc1c(-c3ccc(-c4ccc(-c5nnc6c7ccccc7c7ccccc7n56)cc4)cc3)cccc12.

What is the InChIKey of 3-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]-[1,2,4]triazolo[4,3-f]phenanthridine;3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-[1,2,4]triazolo[4,3-f]phenanthridine;3-[4-(2-dibenzothiophen-4-ylphenyl)phenyl]-[1,2,4]triazolo[4,3-f]phenanthridine;3-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-[1,2,4]triazolo[4,3-f]phenanthridine;3-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-[1,2,4]triazolo[4,3-f]phenanthridine?

The InChIKey is IJDCOEIMDXMRLG-UHFFFAOYSA-N. The full InChI is InChI=1S/5C38H23N3S/c1-2-17-33-29(14-1)30-15-3-5-20-34(30)41-37(39-40-38(33)41)27-13-8-11-25(23-27)24-10-7-12-26(22-24)28-18-9-19-32-31-16-4-6-21-35(31)42-36(28)32;1-2-13-25(30-20-11-21-31-29-17-8-10-23-35(29)42-36(30)31)24(12-1)26-14-3-5-18-32(26)37-39-40-38-33-19-6-4-15-27(33)28-16-7-9-22-34(28)41(37)38;1-2-14-33-29(11-1)30-12-3-5-17-34(30)41-37(39-40-38(33)41)25-21-19-24(20-22-25)26-9-7-10-27(23-26)28-15-8-16-32-31-13-4-6-18-35(31)42-36(28)32;1-2-11-33-29(8-1)30-9-3-5-14-34(30)41-37(39-40-38(33)41)27-22-18-25(19-23-27)24-16-20-26(21-17-24)28-12-7-13-32-31-10-4-6-15-35(31)42-36(28)32;1-2-11-27(31-16-9-17-32-30-14-6-8-19-35(30)42-36(31)32)26(10-1)24-20-22-25(23-21-24)37-39-40-38-33-15-4-3-12-28(33)29-13-5-7-18-34(29)41(37)38/h5*1-23H.

What are the key properties of 3-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]-[1,2,4]triazolo[4,3-f]phenanthridine;3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-[1,2,4]triazolo[4,3-f]phenanthridine;3-[4-(2-dibenzothiophen-4-ylphenyl)phenyl]-[1,2,4]triazolo[4,3-f]phenanthridine;3-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-[1,2,4]triazolo[4,3-f]phenanthridine;3-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-[1,2,4]triazolo[4,3-f]phenanthridine?

3-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]-[1,2,4]triazolo[4,3-f]phenanthridine;3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-[1,2,4]triazolo[4,3-f]phenanthridine;3-[4-(2-dibenzothiophen-4-ylphenyl)phenyl]-[1,2,4]triazolo[4,3-f]phenanthridine;3-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-[1,2,4]triazolo[4,3-f]phenanthridine;3-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-[1,2,4]triazolo[4,3-f]phenanthridine has a molecular weight of 2768.45 g/mol, XLogP of 52.02, 15 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]-[1,2,4]triazolo[4,3-f]phenanthridine;3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-[1,2,4]triazolo[4,3-f]phenanthridine;3-[4-(2-dibenzothiophen-4-ylphenyl)phenyl]-[1,2,4]triazolo[4,3-f]phenanthridine;3-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-[1,2,4]triazolo[4,3-f]phenanthridine;3-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-[1,2,4]triazolo[4,3-f]phenanthridine is sourced from PubChem (CID 158714430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).