4-bromo-1-(4-bromo-2-octylnaphthalen-1-yl)-2-octylnaphthalene;N-(4-bromophenyl)-4-[4-(N-(4-bromophenyl)anilino)phenyl]-N-phenylaniline;4-methyl-N-[4-[4-(N-[4-[4-(4-methyl-2-octylnaphthalen-1-yl)-3-octylnaphthalen-1-yl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline

C146H146Br4N4 — CID 158040806

About 4-bromo-1-(4-bromo-2-octylnaphthalen-1-yl)-2-octylnaphthalene;N-(4-bromophenyl)-4-[4-(N-(4-bromophenyl)anilino)phenyl]-N-phenylaniline;4-methyl-N-[4-[4-(N-[4-[4-(4-methyl-2-octylnaphthalen-1-yl)-3-octylnaphthalen-1-yl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline

4-bromo-1-(4-bromo-2-octylnaphthalen-1-yl)-2-octylnaphthalene;N-(4-bromophenyl)-4-[4-(N-(4-bromophenyl)anilino)phenyl]-N-phenylaniline;4-methyl-N-[4-[4-(N-[4-[4-(4-methyl-2-octylnaphthalen-1-yl)-3-octylnaphthalen-1-yl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline (PubChem CID 158040806) has the molecular formula C146H146Br4N4 and a molecular weight of 2276.42 g/mol. Its IUPAC name is 4-bromo-1-(4-bromo-2-octylnaphthalen-1-yl)-2-octylnaphthalene;N-(4-bromophenyl)-4-[4-(N-(4-bromophenyl)anilino)phenyl]-N-phenylaniline;4-methyl-N-[4-[4-(N-[4-[4-(4-methyl-2-octylnaphthalen-1-yl)-3-octylnaphthalen-1-yl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline.

Molecular Properties

• Compound Name: 4-bromo-1-(4-bromo-2-octylnaphthalen-1-yl)-2-octylnaphthalene;N-(4-bromophenyl)-4-[4-(N-(4-bromophenyl)anilino)phenyl]-N-phenylaniline;4-methyl-N-[4-[4-(N-[4-[4-(4-methyl-2-octylnaphthalen-1-yl)-3-octylnaphthalen-1-yl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
• PubChem CID: 158040806
• Molecular Formula: C146H146Br4N4
• Molecular Weight: 2276.42 g/mol
• Exact Mass: 2270.83
• IUPAC Name: 4-bromo-1-(4-bromo-2-octylnaphthalen-1-yl)-2-octylnaphthalene;N-(4-bromophenyl)-4-[4-(N-(4-bromophenyl)anilino)phenyl]-N-phenylaniline;4-methyl-N-[4-[4-(N-[4-[4-(4-methyl-2-octylnaphthalen-1-yl)-3-octylnaphthalen-1-yl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
• SMILES: Brc1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc(Br)cc4)cc3)cc2)cc1.CCCCCCCCc1cc(Br)c2ccccc2c1-c1c(CCCCCCCC)cc(Br)c2ccccc12.CCCCCCCCc1cc(C)c2ccccc2c1-c1c(CCCCCCCC)cc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccccc5)c5ccc(C)cc5)cc4)cc3)cc2)c2ccccc12
• InChI: InChI=1S/C74H76N2.C36H26Br2N2.C36H44Br2/c1-5-7-9-11-13-17-27-60-53-56(4)68-33-23-25-35-70(68)73(60)74-61(28-18-14-12-10-8-6-2)54-72(69-34-24-26-36-71(69)74)59-43-51-67(52-44-59)76(63-31-21-16-22-32-63)66-49-41-58(42-50-66)57-39-47-65(48-40-57)75(62-29-19-15-20-30-62)64-45-37-55(3)38-46-64;37-29-15-23-35(24-16-29)39(31-7-3-1-4-8-31)33-19-11-27(12-20-33)28-13-21-34(22-14-28)40(32-9-5-2-6-10-32)36-25-17-30(38)18-26-36;1-3-5-7-9-11-13-19-27-25-33(37)29-21-15-17-23-31(29)35(27)36-28(20-14-12-10-8-6-4-2)26-34(38)30-22-16-18-24-32(30)36/h15-16,19-26,29-54H,5-14,17-18,27-28H2,1-4H3;1-26H;15-18,21-26H,3-14,19-20H2,1-2H3
• InChIKey: FIIGDNUYVGPNBW-UHFFFAOYSA-N
• XLogP: 47.17
• TPSA: 12.96 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 45
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2276.42
LogP ≤ 5	47.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(4-bromo-2-octylnaphthalen-1-yl)-2-octylnaphthalene;N-(4-bromophenyl)-4-[4-(N-(4-bromophenyl)anilino)phenyl]-N-phenylaniline;4-methyl-N-[4-[4-(N-[4-[4-(4-methyl-2-octylnaphthalen-1-yl)-3-octylnaphthalen-1-yl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline?

The IUPAC name of 4-bromo-1-(4-bromo-2-octylnaphthalen-1-yl)-2-octylnaphthalene;N-(4-bromophenyl)-4-[4-(N-(4-bromophenyl)anilino)phenyl]-N-phenylaniline;4-methyl-N-[4-[4-(N-[4-[4-(4-methyl-2-octylnaphthalen-1-yl)-3-octylnaphthalen-1-yl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline (CID 158040806) is 4-bromo-1-(4-bromo-2-octylnaphthalen-1-yl)-2-octylnaphthalene;N-(4-bromophenyl)-4-[4-(N-(4-bromophenyl)anilino)phenyl]-N-phenylaniline;4-methyl-N-[4-[4-(N-[4-[4-(4-methyl-2-octylnaphthalen-1-yl)-3-octylnaphthalen-1-yl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline.

What is the SMILES notation for 4-bromo-1-(4-bromo-2-octylnaphthalen-1-yl)-2-octylnaphthalene;N-(4-bromophenyl)-4-[4-(N-(4-bromophenyl)anilino)phenyl]-N-phenylaniline;4-methyl-N-[4-[4-(N-[4-[4-(4-methyl-2-octylnaphthalen-1-yl)-3-octylnaphthalen-1-yl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline?

The canonical SMILES for 4-bromo-1-(4-bromo-2-octylnaphthalen-1-yl)-2-octylnaphthalene;N-(4-bromophenyl)-4-[4-(N-(4-bromophenyl)anilino)phenyl]-N-phenylaniline;4-methyl-N-[4-[4-(N-[4-[4-(4-methyl-2-octylnaphthalen-1-yl)-3-octylnaphthalen-1-yl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline is Brc1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc(Br)cc4)cc3)cc2)cc1.CCCCCCCCc1cc(Br)c2ccccc2c1-c1c(CCCCCCCC)cc(Br)c2ccccc12.CCCCCCCCc1cc(C)c2ccccc2c1-c1c(CCCCCCCC)cc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccccc5)c5ccc(C)cc5)cc4)cc3)cc2)c2ccccc12.

What is the InChIKey of 4-bromo-1-(4-bromo-2-octylnaphthalen-1-yl)-2-octylnaphthalene;N-(4-bromophenyl)-4-[4-(N-(4-bromophenyl)anilino)phenyl]-N-phenylaniline;4-methyl-N-[4-[4-(N-[4-[4-(4-methyl-2-octylnaphthalen-1-yl)-3-octylnaphthalen-1-yl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline?

The InChIKey is FIIGDNUYVGPNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H76N2.C36H26Br2N2.C36H44Br2/c1-5-7-9-11-13-17-27-60-53-56(4)68-33-23-25-35-70(68)73(60)74-61(28-18-14-12-10-8-6-2)54-72(69-34-24-26-36-71(69)74)59-43-51-67(52-44-59)76(63-31-21-16-22-32-63)66-49-41-58(42-50-66)57-39-47-65(48-40-57)75(62-29-19-15-20-30-62)64-45-37-55(3)38-46-64;37-29-15-23-35(24-16-29)39(31-7-3-1-4-8-31)33-19-11-27(12-20-33)28-13-21-34(22-14-28)40(32-9-5-2-6-10-32)36-25-17-30(38)18-26-36;1-3-5-7-9-11-13-19-27-25-33(37)29-21-15-17-23-31(29)35(27)36-28(20-14-12-10-8-6-4-2)26-34(38)30-22-16-18-24-32(30)36/h15-16,19-26,29-54H,5-14,17-18,27-28H2,1-4H3;1-26H;15-18,21-26H,3-14,19-20H2,1-2H3.

What are the key properties of 4-bromo-1-(4-bromo-2-octylnaphthalen-1-yl)-2-octylnaphthalene;N-(4-bromophenyl)-4-[4-(N-(4-bromophenyl)anilino)phenyl]-N-phenylaniline;4-methyl-N-[4-[4-(N-[4-[4-(4-methyl-2-octylnaphthalen-1-yl)-3-octylnaphthalen-1-yl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline?

4-bromo-1-(4-bromo-2-octylnaphthalen-1-yl)-2-octylnaphthalene;N-(4-bromophenyl)-4-[4-(N-(4-bromophenyl)anilino)phenyl]-N-phenylaniline;4-methyl-N-[4-[4-(N-[4-[4-(4-methyl-2-octylnaphthalen-1-yl)-3-octylnaphthalen-1-yl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline has a molecular weight of 2276.42 g/mol, XLogP of 47.17, 45 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-bromo-1-(4-bromo-2-octylnaphthalen-1-yl)-2-octylnaphthalene;N-(4-bromophenyl)-4-[4-(N-(4-bromophenyl)anilino)phenyl]-N-phenylaniline;4-methyl-N-[4-[4-(N-[4-[4-(4-methyl-2-octylnaphthalen-1-yl)-3-octylnaphthalen-1-yl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline is sourced from PubChem (CID 158040806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).