6-bromo-N-naphthalen-1-yl-N,9,10-triphenylanthracen-2-amine;4-[4-[4-(4-bromophenyl)phenyl]phenyl]-N,N-diphenylaniline;N-[4-[3-(4-bromophenyl)phenyl]phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine

C126H87Br3N4 — CID 158474147

About 6-bromo-N-naphthalen-1-yl-N,9,10-triphenylanthracen-2-amine;4-[4-[4-(4-bromophenyl)phenyl]phenyl]-N,N-diphenylaniline;N-[4-[3-(4-bromophenyl)phenyl]phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine

6-bromo-N-naphthalen-1-yl-N,9,10-triphenylanthracen-2-amine;4-[4-[4-(4-bromophenyl)phenyl]phenyl]-N,N-diphenylaniline;N-[4-[3-(4-bromophenyl)phenyl]phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine (PubChem CID 158474147) has the molecular formula C126H87Br3N4 and a molecular weight of 1896.82 g/mol. Its IUPAC name is 6-bromo-N-naphthalen-1-yl-N,9,10-triphenylanthracen-2-amine;4-[4-[4-(4-bromophenyl)phenyl]phenyl]-N,N-diphenylaniline;N-[4-[3-(4-bromophenyl)phenyl]phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine.

Molecular Properties

• Compound Name: 6-bromo-N-naphthalen-1-yl-N,9,10-triphenylanthracen-2-amine;4-[4-[4-(4-bromophenyl)phenyl]phenyl]-N,N-diphenylaniline;N-[4-[3-(4-bromophenyl)phenyl]phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine
• PubChem CID: 158474147
• Molecular Formula: C126H87Br3N4
• Molecular Weight: 1896.82 g/mol
• Exact Mass: 1892.45
• IUPAC Name: 6-bromo-N-naphthalen-1-yl-N,9,10-triphenylanthracen-2-amine;4-[4-[4-(4-bromophenyl)phenyl]phenyl]-N,N-diphenylaniline;N-[4-[3-(4-bromophenyl)phenyl]phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine
• SMILES: Brc1ccc(-c2ccc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)cc2)cc1.Brc1ccc(-c2cccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4cccc5c4c4ccccc4n5-c4ccccc4)cc3)c2)cc1.Brc1ccc2c(-c3ccccc3)c3cc(N(c4ccccc4)c4cccc5ccccc45)ccc3c(-c3ccccc3)c2c1
• InChI: InChI=1S/C48H33BrN2.C42H28BrN.C36H26BrN/c49-40-27-21-36(22-28-40)38-13-9-14-39(33-38)37-25-31-43(32-26-37)50(42-29-23-35(24-30-42)34-11-3-1-4-12-34)46-19-10-20-47-48(46)44-17-7-8-18-45(44)51(47)41-15-5-2-6-16-41;43-32-23-25-36-38(27-32)41(30-14-4-1-5-15-30)37-26-24-34(28-39(37)42(36)31-16-6-2-7-17-31)44(33-19-8-3-9-20-33)40-22-12-18-29-13-10-11-21-35(29)40;37-33-23-19-31(20-24-33)29-15-11-27(12-16-29)28-13-17-30(18-14-28)32-21-25-36(26-22-32)38(34-7-3-1-4-8-34)35-9-5-2-6-10-35/h1-33H;1-28H;1-26H
• InChIKey: HGSMFHUZSZVRDJ-UHFFFAOYSA-N
• XLogP: 37.65
• TPSA: 14.65 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 18
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1896.82
LogP ≤ 5	37.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-naphthalen-1-yl-N,9,10-triphenylanthracen-2-amine;4-[4-[4-(4-bromophenyl)phenyl]phenyl]-N,N-diphenylaniline;N-[4-[3-(4-bromophenyl)phenyl]phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine?

The IUPAC name of 6-bromo-N-naphthalen-1-yl-N,9,10-triphenylanthracen-2-amine;4-[4-[4-(4-bromophenyl)phenyl]phenyl]-N,N-diphenylaniline;N-[4-[3-(4-bromophenyl)phenyl]phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine (CID 158474147) is 6-bromo-N-naphthalen-1-yl-N,9,10-triphenylanthracen-2-amine;4-[4-[4-(4-bromophenyl)phenyl]phenyl]-N,N-diphenylaniline;N-[4-[3-(4-bromophenyl)phenyl]phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine.

What is the SMILES notation for 6-bromo-N-naphthalen-1-yl-N,9,10-triphenylanthracen-2-amine;4-[4-[4-(4-bromophenyl)phenyl]phenyl]-N,N-diphenylaniline;N-[4-[3-(4-bromophenyl)phenyl]phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine?

The canonical SMILES for 6-bromo-N-naphthalen-1-yl-N,9,10-triphenylanthracen-2-amine;4-[4-[4-(4-bromophenyl)phenyl]phenyl]-N,N-diphenylaniline;N-[4-[3-(4-bromophenyl)phenyl]phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine is Brc1ccc(-c2ccc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)cc2)cc1.Brc1ccc(-c2cccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4cccc5c4c4ccccc4n5-c4ccccc4)cc3)c2)cc1.Brc1ccc2c(-c3ccccc3)c3cc(N(c4ccccc4)c4cccc5ccccc45)ccc3c(-c3ccccc3)c2c1.

What is the InChIKey of 6-bromo-N-naphthalen-1-yl-N,9,10-triphenylanthracen-2-amine;4-[4-[4-(4-bromophenyl)phenyl]phenyl]-N,N-diphenylaniline;N-[4-[3-(4-bromophenyl)phenyl]phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine?

The InChIKey is HGSMFHUZSZVRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33BrN2.C42H28BrN.C36H26BrN/c49-40-27-21-36(22-28-40)38-13-9-14-39(33-38)37-25-31-43(32-26-37)50(42-29-23-35(24-30-42)34-11-3-1-4-12-34)46-19-10-20-47-48(46)44-17-7-8-18-45(44)51(47)41-15-5-2-6-16-41;43-32-23-25-36-38(27-32)41(30-14-4-1-5-15-30)37-26-24-34(28-39(37)42(36)31-16-6-2-7-17-31)44(33-19-8-3-9-20-33)40-22-12-18-29-13-10-11-21-35(29)40;37-33-23-19-31(20-24-33)29-15-11-27(12-16-29)28-13-17-30(18-14-28)32-21-25-36(26-22-32)38(34-7-3-1-4-8-34)35-9-5-2-6-10-35/h1-33H;1-28H;1-26H.

What are the key properties of 6-bromo-N-naphthalen-1-yl-N,9,10-triphenylanthracen-2-amine;4-[4-[4-(4-bromophenyl)phenyl]phenyl]-N,N-diphenylaniline;N-[4-[3-(4-bromophenyl)phenyl]phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine?

6-bromo-N-naphthalen-1-yl-N,9,10-triphenylanthracen-2-amine;4-[4-[4-(4-bromophenyl)phenyl]phenyl]-N,N-diphenylaniline;N-[4-[3-(4-bromophenyl)phenyl]phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine has a molecular weight of 1896.82 g/mol, XLogP of 37.65, 18 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-N-naphthalen-1-yl-N,9,10-triphenylanthracen-2-amine;4-[4-[4-(4-bromophenyl)phenyl]phenyl]-N,N-diphenylaniline;N-[4-[3-(4-bromophenyl)phenyl]phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine is sourced from PubChem (CID 158474147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).