3-(4-bromonaphthalen-1-yl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(5-bromonaphthalen-1-yl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(7-bromonaphthalen-2-yl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(2-bromophenyl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(3-bromophenyl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(4-bromophenyl)-[1,2,4]triazolo[4,3-f]phenanthridine

C132H78Br6N18 — CID 160511540

About 3-(4-bromonaphthalen-1-yl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(5-bromonaphthalen-1-yl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(7-bromonaphthalen-2-yl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(2-bromophenyl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(3-bromophenyl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(4-bromophenyl)-[1,2,4]triazolo[4,3-f]phenanthridine

3-(4-bromonaphthalen-1-yl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(5-bromonaphthalen-1-yl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(7-bromonaphthalen-2-yl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(2-bromophenyl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(3-bromophenyl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(4-bromophenyl)-[1,2,4]triazolo[4,3-f]phenanthridine (PubChem CID 160511540) has the molecular formula C132H78Br6N18 and a molecular weight of 2395.63 g/mol. Its IUPAC name is 3-(4-bromonaphthalen-1-yl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(5-bromonaphthalen-1-yl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(7-bromonaphthalen-2-yl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(2-bromophenyl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(3-bromophenyl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(4-bromophenyl)-[1,2,4]triazolo[4,3-f]phenanthridine.

Molecular Properties

• Compound Name: 3-(4-bromonaphthalen-1-yl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(5-bromonaphthalen-1-yl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(7-bromonaphthalen-2-yl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(2-bromophenyl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(3-bromophenyl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(4-bromophenyl)-[1,2,4]triazolo[4,3-f]phenanthridine
• PubChem CID: 160511540
• Molecular Formula: C132H78Br6N18
• Molecular Weight: 2395.63 g/mol
• Exact Mass: 2388.18
• IUPAC Name: 3-(4-bromonaphthalen-1-yl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(5-bromonaphthalen-1-yl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(7-bromonaphthalen-2-yl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(2-bromophenyl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(3-bromophenyl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(4-bromophenyl)-[1,2,4]triazolo[4,3-f]phenanthridine
• SMILES: Brc1ccc(-c2nnc3c4ccccc4c4ccccc4n23)c2ccccc12.Brc1ccc(-c2nnc3c4ccccc4c4ccccc4n23)cc1.Brc1ccc2ccc(-c3nnc4c5ccccc5c5ccccc5n34)cc2c1.Brc1cccc(-c2nnc3c4ccccc4c4ccccc4n23)c1.Brc1cccc2c(-c3nnc4c5ccccc5c5ccccc5n34)cccc12.Brc1ccccc1-c1nnc2c3ccccc3c3ccccc3n12
• InChI: InChI=1S/3C24H14BrN3.3C20H12BrN3/c25-21-14-13-20(15-7-1-3-9-17(15)21)24-27-26-23-19-11-4-2-8-16(19)18-10-5-6-12-22(18)28(23)24;25-21-13-6-10-15-17(21)11-5-12-20(15)24-27-26-23-19-9-2-1-7-16(19)18-8-3-4-14-22(18)28(23)24;25-18-12-11-15-9-10-16(13-17(15)14-18)23-26-27-24-21-7-2-1-5-19(21)20-6-3-4-8-22(20)28(23)24;21-17-11-5-3-10-16(17)20-23-22-19-15-9-2-1-7-13(15)14-8-4-6-12-18(14)24(19)20;21-14-7-5-6-13(12-14)19-22-23-20-17-10-2-1-8-15(17)16-9-3-4-11-18(16)24(19)20;21-14-11-9-13(10-12-14)19-22-23-20-17-7-2-1-5-15(17)16-6-3-4-8-18(16)24(19)20/h3*1-14H;3*1-12H
• InChIKey: QTCMCGSXMOCQEG-UHFFFAOYSA-N
• XLogP: 36.25
• TPSA: 181.14 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 6
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2395.63
LogP ≤ 5	36.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromonaphthalen-1-yl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(5-bromonaphthalen-1-yl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(7-bromonaphthalen-2-yl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(2-bromophenyl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(3-bromophenyl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(4-bromophenyl)-[1,2,4]triazolo[4,3-f]phenanthridine?

The IUPAC name of 3-(4-bromonaphthalen-1-yl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(5-bromonaphthalen-1-yl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(7-bromonaphthalen-2-yl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(2-bromophenyl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(3-bromophenyl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(4-bromophenyl)-[1,2,4]triazolo[4,3-f]phenanthridine (CID 160511540) is 3-(4-bromonaphthalen-1-yl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(5-bromonaphthalen-1-yl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(7-bromonaphthalen-2-yl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(2-bromophenyl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(3-bromophenyl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(4-bromophenyl)-[1,2,4]triazolo[4,3-f]phenanthridine.

What is the SMILES notation for 3-(4-bromonaphthalen-1-yl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(5-bromonaphthalen-1-yl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(7-bromonaphthalen-2-yl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(2-bromophenyl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(3-bromophenyl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(4-bromophenyl)-[1,2,4]triazolo[4,3-f]phenanthridine?

The canonical SMILES for 3-(4-bromonaphthalen-1-yl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(5-bromonaphthalen-1-yl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(7-bromonaphthalen-2-yl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(2-bromophenyl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(3-bromophenyl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(4-bromophenyl)-[1,2,4]triazolo[4,3-f]phenanthridine is Brc1ccc(-c2nnc3c4ccccc4c4ccccc4n23)c2ccccc12.Brc1ccc(-c2nnc3c4ccccc4c4ccccc4n23)cc1.Brc1ccc2ccc(-c3nnc4c5ccccc5c5ccccc5n34)cc2c1.Brc1cccc(-c2nnc3c4ccccc4c4ccccc4n23)c1.Brc1cccc2c(-c3nnc4c5ccccc5c5ccccc5n34)cccc12.Brc1ccccc1-c1nnc2c3ccccc3c3ccccc3n12.

What is the InChIKey of 3-(4-bromonaphthalen-1-yl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(5-bromonaphthalen-1-yl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(7-bromonaphthalen-2-yl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(2-bromophenyl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(3-bromophenyl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(4-bromophenyl)-[1,2,4]triazolo[4,3-f]phenanthridine?

The InChIKey is QTCMCGSXMOCQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/3C24H14BrN3.3C20H12BrN3/c25-21-14-13-20(15-7-1-3-9-17(15)21)24-27-26-23-19-11-4-2-8-16(19)18-10-5-6-12-22(18)28(23)24;25-21-13-6-10-15-17(21)11-5-12-20(15)24-27-26-23-19-9-2-1-7-16(19)18-8-3-4-14-22(18)28(23)24;25-18-12-11-15-9-10-16(13-17(15)14-18)23-26-27-24-21-7-2-1-5-19(21)20-6-3-4-8-22(20)28(23)24;21-17-11-5-3-10-16(17)20-23-22-19-15-9-2-1-7-13(15)14-8-4-6-12-18(14)24(19)20;21-14-7-5-6-13(12-14)19-22-23-20-17-10-2-1-8-15(17)16-9-3-4-11-18(16)24(19)20;21-14-11-9-13(10-12-14)19-22-23-20-17-7-2-1-5-15(17)16-6-3-4-8-18(16)24(19)20/h3*1-14H;3*1-12H.

What are the key properties of 3-(4-bromonaphthalen-1-yl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(5-bromonaphthalen-1-yl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(7-bromonaphthalen-2-yl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(2-bromophenyl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(3-bromophenyl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(4-bromophenyl)-[1,2,4]triazolo[4,3-f]phenanthridine?

3-(4-bromonaphthalen-1-yl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(5-bromonaphthalen-1-yl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(7-bromonaphthalen-2-yl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(2-bromophenyl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(3-bromophenyl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(4-bromophenyl)-[1,2,4]triazolo[4,3-f]phenanthridine has a molecular weight of 2395.63 g/mol, XLogP of 36.25, 6 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-bromonaphthalen-1-yl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(5-bromonaphthalen-1-yl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(7-bromonaphthalen-2-yl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(2-bromophenyl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(3-bromophenyl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(4-bromophenyl)-[1,2,4]triazolo[4,3-f]phenanthridine is sourced from PubChem (CID 160511540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).