4-(4-bromophenyl)-8-naphthalen-2-yl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene

C32H20BrN — CID 118532980

About 4-(4-bromophenyl)-8-naphthalen-2-yl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene

4-(4-bromophenyl)-8-naphthalen-2-yl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene (PubChem CID 118532980) has the molecular formula C32H20BrN and a molecular weight of 498.42 g/mol. Its IUPAC name is 4-(4-bromophenyl)-8-naphthalen-2-yl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene.

Molecular Properties

• Compound Name: 4-(4-bromophenyl)-8-naphthalen-2-yl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene
• PubChem CID: 118532980
• Molecular Formula: C32H20BrN
• Molecular Weight: 498.42 g/mol
• Exact Mass: 497.08
• IUPAC Name: 4-(4-bromophenyl)-8-naphthalen-2-yl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene
• SMILES: Brc1ccc(-c2ccc3c(c2)-c2cccc4cccc(c24)N3c2ccc3ccccc3c2)cc1
• InChI: InChI=1S/C32H20BrN/c33-26-15-11-22(12-16-26)25-14-18-30-29(20-25)28-9-3-7-23-8-4-10-31(32(23)28)34(30)27-17-13-21-5-1-2-6-24(21)19-27/h1-20H
• InChIKey: FOLGIRCHEVGYMG-UHFFFAOYSA-N
• XLogP: 9.87
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	498.42
LogP ≤ 5	9.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-8-naphthalen-2-yl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene?

The IUPAC name of 4-(4-bromophenyl)-8-naphthalen-2-yl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene (CID 118532980) is 4-(4-bromophenyl)-8-naphthalen-2-yl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene.

What is the SMILES notation for 4-(4-bromophenyl)-8-naphthalen-2-yl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene?

The canonical SMILES for 4-(4-bromophenyl)-8-naphthalen-2-yl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene is Brc1ccc(-c2ccc3c(c2)-c2cccc4cccc(c24)N3c2ccc3ccccc3c2)cc1.

What is the InChIKey of 4-(4-bromophenyl)-8-naphthalen-2-yl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene?

The InChIKey is FOLGIRCHEVGYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H20BrN/c33-26-15-11-22(12-16-26)25-14-18-30-29(20-25)28-9-3-7-23-8-4-10-31(32(23)28)34(30)27-17-13-21-5-1-2-6-24(21)19-27/h1-20H.

What are the key properties of 4-(4-bromophenyl)-8-naphthalen-2-yl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene?

4-(4-bromophenyl)-8-naphthalen-2-yl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene has a molecular weight of 498.42 g/mol, XLogP of 9.87, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-bromophenyl)-8-naphthalen-2-yl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene is sourced from PubChem (CID 118532980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).