4-(4-bromophenyl)-8-(4-ethenylphenyl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene;5-(3-bromo-5-phenylphenyl)-8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene;5-(3,5-dibromophenyl)-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;5-(3,5-dibromophenyl)-8-(4-phenylphenyl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene

C130H82Br6N4 — CID 158073571

About 4-(4-bromophenyl)-8-(4-ethenylphenyl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene;5-(3-bromo-5-phenylphenyl)-8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene;5-(3,5-dibromophenyl)-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;5-(3,5-dibromophenyl)-8-(4-phenylphenyl)-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-(4-ethenylphenyl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene;5-(3-bromo-5-phenylphenyl)-8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene;5-(3,5-dibromophenyl)-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;5-(3,5-dibromophenyl)-8-(4-phenylphenyl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene (PubChem CID 158073571) has the molecular formula C130H82Br6N4 and a molecular weight of 2179.54 g/mol. Its IUPAC name is 4-(4-bromophenyl)-8-(4-ethenylphenyl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene;5-(3-bromo-5-phenylphenyl)-8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene;5-(3,5-dibromophenyl)-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;5-(3,5-dibromophenyl)-8-(4-phenylphenyl)-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-(4-ethenylphenyl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene;5-(3-bromo-5-phenylphenyl)-8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene;5-(3,5-dibromophenyl)-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;5-(3,5-dibromophenyl)-8-(4-phenylphenyl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene
• PubChem CID: 158073571
• Molecular Formula: C130H82Br6N4
• Molecular Weight: 2179.54 g/mol
• Exact Mass: 2172.16
• IUPAC Name: 4-(4-bromophenyl)-8-(4-ethenylphenyl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene;5-(3-bromo-5-phenylphenyl)-8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene;5-(3,5-dibromophenyl)-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;5-(3,5-dibromophenyl)-8-(4-phenylphenyl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene
• SMILES: Brc1cc(-c2ccccc2)cc(-c2ccc3c(c2)N(c2ccccc2)c2cccc4cccc-3c24)c1.Brc1cc(Br)cc(-c2ccc3c(c2)N(c2ccc(-c4ccccc4)cc2)c2cccc4cccc-3c24)c1.Brc1cc(Br)cc(-c2ccc3c(c2)N(c2ccc4ccccc4c2)c2cccc4cccc-3c24)c1.C=Cc1ccc(N2c3ccc(-c4ccc(Br)cc4)cc3-c3cccc4cccc2c34)cc1
• InChI: InChI=1S/C34H21Br2N.C34H22BrN.C32H19Br2N.C30H20BrN/c35-27-18-26(19-28(36)21-27)25-14-17-30-31-10-4-8-24-9-5-11-32(34(24)31)37(33(30)20-25)29-15-12-23(13-16-29)22-6-2-1-3-7-22;35-28-20-26(23-9-3-1-4-10-23)19-27(21-28)25-17-18-30-31-15-7-11-24-12-8-16-32(34(24)31)36(33(30)22-25)29-13-5-2-6-14-29;33-25-15-24(16-26(34)19-25)23-12-14-28-29-9-3-7-21-8-4-10-30(32(21)29)35(31(28)18-23)27-13-11-20-5-1-2-6-22(20)17-27;1-2-20-9-16-25(17-10-20)32-28-18-13-23(21-11-14-24(31)15-12-21)19-27(28)26-7-3-5-22-6-4-8-29(32)30(22)26/h1-21H;1-22H;1-19H;2-19H,1H2
• InChIKey: FMCGRWJMYYBYNK-UHFFFAOYSA-N
• XLogP: 41.53
• TPSA: 12.96 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2179.54
LogP ≤ 5	41.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-8-(4-ethenylphenyl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene;5-(3-bromo-5-phenylphenyl)-8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene;5-(3,5-dibromophenyl)-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;5-(3,5-dibromophenyl)-8-(4-phenylphenyl)-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-(4-ethenylphenyl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene;5-(3-bromo-5-phenylphenyl)-8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene;5-(3,5-dibromophenyl)-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;5-(3,5-dibromophenyl)-8-(4-phenylphenyl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene (CID 158073571) is 4-(4-bromophenyl)-8-(4-ethenylphenyl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene;5-(3-bromo-5-phenylphenyl)-8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene;5-(3,5-dibromophenyl)-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;5-(3,5-dibromophenyl)-8-(4-phenylphenyl)-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-(4-ethenylphenyl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene;5-(3-bromo-5-phenylphenyl)-8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene;5-(3,5-dibromophenyl)-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;5-(3,5-dibromophenyl)-8-(4-phenylphenyl)-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-(4-ethenylphenyl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene;5-(3-bromo-5-phenylphenyl)-8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene;5-(3,5-dibromophenyl)-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;5-(3,5-dibromophenyl)-8-(4-phenylphenyl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene is Brc1cc(-c2ccccc2)cc(-c2ccc3c(c2)N(c2ccccc2)c2cccc4cccc-3c24)c1.Brc1cc(Br)cc(-c2ccc3c(c2)N(c2ccc(-c4ccccc4)cc2)c2cccc4cccc-3c24)c1.Brc1cc(Br)cc(-c2ccc3c(c2)N(c2ccc4ccccc4c2)c2cccc4cccc-3c24)c1.C=Cc1ccc(N2c3ccc(-c4ccc(Br)cc4)cc3-c3cccc4cccc2c34)cc1.

What is the InChIKey of 4-(4-bromophenyl)-8-(4-ethenylphenyl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene;5-(3-bromo-5-phenylphenyl)-8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene;5-(3,5-dibromophenyl)-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;5-(3,5-dibromophenyl)-8-(4-phenylphenyl)-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 FMCGRWJMYYBYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H21Br2N.C34H22BrN.C32H19Br2N.C30H20BrN/c35-27-18-26(19-28(36)21-27)25-14-17-30-31-10-4-8-24-9-5-11-32(34(24)31)37(33(30)20-25)29-15-12-23(13-16-29)22-6-2-1-3-7-22;35-28-20-26(23-9-3-1-4-10-23)19-27(21-28)25-17-18-30-31-15-7-11-24-12-8-16-32(34(24)31)36(33(30)22-25)29-13-5-2-6-14-29;33-25-15-24(16-26(34)19-25)23-12-14-28-29-9-3-7-21-8-4-10-30(32(21)29)35(31(28)18-23)27-13-11-20-5-1-2-6-22(20)17-27;1-2-20-9-16-25(17-10-20)32-28-18-13-23(21-11-14-24(31)15-12-21)19-27(28)26-7-3-5-22-6-4-8-29(32)30(22)26/h1-21H;1-22H;1-19H;2-19H,1H2.

What are the key properties of 4-(4-bromophenyl)-8-(4-ethenylphenyl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene;5-(3-bromo-5-phenylphenyl)-8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene;5-(3,5-dibromophenyl)-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;5-(3,5-dibromophenyl)-8-(4-phenylphenyl)-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-(4-ethenylphenyl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene;5-(3-bromo-5-phenylphenyl)-8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene;5-(3,5-dibromophenyl)-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;5-(3,5-dibromophenyl)-8-(4-phenylphenyl)-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 2179.54 g/mol, XLogP of 41.53, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-bromophenyl)-8-(4-ethenylphenyl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene;5-(3-bromo-5-phenylphenyl)-8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene;5-(3,5-dibromophenyl)-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;5-(3,5-dibromophenyl)-8-(4-phenylphenyl)-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 158073571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).