2-(4-bromophenyl)naphthalene;4-(3-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline;4-(3-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline

C112H77BrN4 — CID 159073557

About 2-(4-bromophenyl)naphthalene;4-(3-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline;4-(3-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline

2-(4-bromophenyl)naphthalene;4-(3-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline;4-(3-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline (PubChem CID 159073557) has the molecular formula C112H77BrN4 and a molecular weight of 1558.78 g/mol. Its IUPAC name is 2-(4-bromophenyl)naphthalene;4-(3-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline;4-(3-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline.

Molecular Properties

• Compound Name: 2-(4-bromophenyl)naphthalene;4-(3-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline;4-(3-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
• PubChem CID: 159073557
• Molecular Formula: C112H77BrN4
• Molecular Weight: 1558.78 g/mol
• Exact Mass: 1556.53
• IUPAC Name: 2-(4-bromophenyl)naphthalene;4-(3-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline;4-(3-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
• SMILES: Brc1ccc(-c2ccc3ccccc3c2)cc1.c1cc(-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc(-c4cccc5ccccc45)cc3)cc2)cc(-n2c3ccccc3c3ccccc32)c1.c1cc(-c2ccc(Nc3ccc(-c4cccc5ccccc45)cc3)cc2)cc(-n2c3ccccc3c3ccccc32)c1
• InChI: InChI=1S/C56H38N2.C40H28N2.C16H11Br/c1-2-13-44-37-46(24-23-39(44)11-1)41-27-33-48(34-28-41)57(49-35-29-43(30-36-49)52-20-10-14-42-12-3-4-17-51(42)52)47-31-25-40(26-32-47)45-15-9-16-50(38-45)58-55-21-7-5-18-53(55)54-19-6-8-22-56(54)58;1-2-13-35-29(9-1)10-8-16-36(35)30-21-25-33(26-22-30)41-32-23-19-28(20-24-32)31-11-7-12-34(27-31)42-39-17-5-3-14-37(39)38-15-4-6-18-40(38)42;17-16-9-7-13(8-10-16)15-6-5-12-3-1-2-4-14(12)11-15/h1-38H;1-27,41H;1-11H
• InChIKey: JZYRPUSSAGLBJQ-UHFFFAOYSA-N
• XLogP: 31.84
• TPSA: 25.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 13
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1558.78
LogP ≤ 5	31.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)naphthalene;4-(3-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline;4-(3-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline?

The IUPAC name of 2-(4-bromophenyl)naphthalene;4-(3-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline;4-(3-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline (CID 159073557) is 2-(4-bromophenyl)naphthalene;4-(3-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline;4-(3-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline.

What is the SMILES notation for 2-(4-bromophenyl)naphthalene;4-(3-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline;4-(3-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline?

The canonical SMILES for 2-(4-bromophenyl)naphthalene;4-(3-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline;4-(3-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline is Brc1ccc(-c2ccc3ccccc3c2)cc1.c1cc(-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc(-c4cccc5ccccc45)cc3)cc2)cc(-n2c3ccccc3c3ccccc32)c1.c1cc(-c2ccc(Nc3ccc(-c4cccc5ccccc45)cc3)cc2)cc(-n2c3ccccc3c3ccccc32)c1.

What is the InChIKey of 2-(4-bromophenyl)naphthalene;4-(3-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline;4-(3-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline?

The InChIKey is JZYRPUSSAGLBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H38N2.C40H28N2.C16H11Br/c1-2-13-44-37-46(24-23-39(44)11-1)41-27-33-48(34-28-41)57(49-35-29-43(30-36-49)52-20-10-14-42-12-3-4-17-51(42)52)47-31-25-40(26-32-47)45-15-9-16-50(38-45)58-55-21-7-5-18-53(55)54-19-6-8-22-56(54)58;1-2-13-35-29(9-1)10-8-16-36(35)30-21-25-33(26-22-30)41-32-23-19-28(20-24-32)31-11-7-12-34(27-31)42-39-17-5-3-14-37(39)38-15-4-6-18-40(38)42;17-16-9-7-13(8-10-16)15-6-5-12-3-1-2-4-14(12)11-15/h1-38H;1-27,41H;1-11H.

What are the key properties of 2-(4-bromophenyl)naphthalene;4-(3-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline;4-(3-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline?

2-(4-bromophenyl)naphthalene;4-(3-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline;4-(3-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline has a molecular weight of 1558.78 g/mol, XLogP of 31.84, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-bromophenyl)naphthalene;4-(3-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline;4-(3-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline is sourced from PubChem (CID 159073557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).