6-bromo-9-naphthalen-1-yl-N,N-diphenylcarbazol-2-amine;7-bromo-N-naphthalen-1-yl-N,9-diphenylcarbazol-2-amine;9-(4-bromophenyl)-N-(3,5-diphenylphenyl)-N-phenylphenanthren-3-amine

C112H76Br3N5 — CID 162121806

About 6-bromo-9-naphthalen-1-yl-N,N-diphenylcarbazol-2-amine;7-bromo-N-naphthalen-1-yl-N,9-diphenylcarbazol-2-amine;9-(4-bromophenyl)-N-(3,5-diphenylphenyl)-N-phenylphenanthren-3-amine

6-bromo-9-naphthalen-1-yl-N,N-diphenylcarbazol-2-amine;7-bromo-N-naphthalen-1-yl-N,9-diphenylcarbazol-2-amine;9-(4-bromophenyl)-N-(3,5-diphenylphenyl)-N-phenylphenanthren-3-amine (PubChem CID 162121806) has the molecular formula C112H76Br3N5 and a molecular weight of 1731.59 g/mol. Its IUPAC name is 6-bromo-9-naphthalen-1-yl-N,N-diphenylcarbazol-2-amine;7-bromo-N-naphthalen-1-yl-N,9-diphenylcarbazol-2-amine;9-(4-bromophenyl)-N-(3,5-diphenylphenyl)-N-phenylphenanthren-3-amine.

Molecular Properties

• Compound Name: 6-bromo-9-naphthalen-1-yl-N,N-diphenylcarbazol-2-amine;7-bromo-N-naphthalen-1-yl-N,9-diphenylcarbazol-2-amine;9-(4-bromophenyl)-N-(3,5-diphenylphenyl)-N-phenylphenanthren-3-amine
• PubChem CID: 162121806
• Molecular Formula: C112H76Br3N5
• Molecular Weight: 1731.59 g/mol
• Exact Mass: 1727.37
• IUPAC Name: 6-bromo-9-naphthalen-1-yl-N,N-diphenylcarbazol-2-amine;7-bromo-N-naphthalen-1-yl-N,9-diphenylcarbazol-2-amine;9-(4-bromophenyl)-N-(3,5-diphenylphenyl)-N-phenylphenanthren-3-amine
• SMILES: Brc1ccc(-c2cc3ccc(N(c4ccccc4)c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cc3c3ccccc23)cc1.Brc1ccc2c(c1)c1ccc(N(c3ccccc3)c3ccccc3)cc1n2-c1cccc2ccccc12.Brc1ccc2c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3n(-c3ccccc3)c2c1
• InChI: InChI=1S/C44H30BrN.2C34H23BrN2/c45-37-23-20-33(21-24-37)43-29-34-22-25-39(30-44(34)42-19-11-10-18-41(42)43)46(38-16-8-3-9-17-38)40-27-35(31-12-4-1-5-13-31)26-36(28-40)32-14-6-2-7-15-32;35-25-18-21-33-31(22-25)30-20-19-28(36(26-12-3-1-4-13-26)27-14-5-2-6-15-27)23-34(30)37(33)32-17-9-11-24-10-7-8-16-29(24)32;35-25-18-20-30-31-21-19-28(23-34(31)37(33(30)22-25)27-14-5-2-6-15-27)36(26-12-3-1-4-13-26)32-17-9-11-24-10-7-8-16-29(24)32/h1-30H;2*1-23H
• InChIKey: ZHMWQONRLUCUHQ-UHFFFAOYSA-N
• XLogP: 33.56
• TPSA: 19.58 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 14
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1731.59
LogP ≤ 5	33.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-bromo-9-naphthalen-1-yl-N,N-diphenylcarbazol-2-amine;7-bromo-N-naphthalen-1-yl-N,9-diphenylcarbazol-2-amine;9-(4-bromophenyl)-N-(3,5-diphenylphenyl)-N-phenylphenanthren-3-amine?

The IUPAC name of 6-bromo-9-naphthalen-1-yl-N,N-diphenylcarbazol-2-amine;7-bromo-N-naphthalen-1-yl-N,9-diphenylcarbazol-2-amine;9-(4-bromophenyl)-N-(3,5-diphenylphenyl)-N-phenylphenanthren-3-amine (CID 162121806) is 6-bromo-9-naphthalen-1-yl-N,N-diphenylcarbazol-2-amine;7-bromo-N-naphthalen-1-yl-N,9-diphenylcarbazol-2-amine;9-(4-bromophenyl)-N-(3,5-diphenylphenyl)-N-phenylphenanthren-3-amine.

What is the SMILES notation for 6-bromo-9-naphthalen-1-yl-N,N-diphenylcarbazol-2-amine;7-bromo-N-naphthalen-1-yl-N,9-diphenylcarbazol-2-amine;9-(4-bromophenyl)-N-(3,5-diphenylphenyl)-N-phenylphenanthren-3-amine?

The canonical SMILES for 6-bromo-9-naphthalen-1-yl-N,N-diphenylcarbazol-2-amine;7-bromo-N-naphthalen-1-yl-N,9-diphenylcarbazol-2-amine;9-(4-bromophenyl)-N-(3,5-diphenylphenyl)-N-phenylphenanthren-3-amine is Brc1ccc(-c2cc3ccc(N(c4ccccc4)c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cc3c3ccccc23)cc1.Brc1ccc2c(c1)c1ccc(N(c3ccccc3)c3ccccc3)cc1n2-c1cccc2ccccc12.Brc1ccc2c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3n(-c3ccccc3)c2c1.

What is the InChIKey of 6-bromo-9-naphthalen-1-yl-N,N-diphenylcarbazol-2-amine;7-bromo-N-naphthalen-1-yl-N,9-diphenylcarbazol-2-amine;9-(4-bromophenyl)-N-(3,5-diphenylphenyl)-N-phenylphenanthren-3-amine?

The InChIKey is ZHMWQONRLUCUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H30BrN.2C34H23BrN2/c45-37-23-20-33(21-24-37)43-29-34-22-25-39(30-44(34)42-19-11-10-18-41(42)43)46(38-16-8-3-9-17-38)40-27-35(31-12-4-1-5-13-31)26-36(28-40)32-14-6-2-7-15-32;35-25-18-21-33-31(22-25)30-20-19-28(36(26-12-3-1-4-13-26)27-14-5-2-6-15-27)23-34(30)37(33)32-17-9-11-24-10-7-8-16-29(24)32;35-25-18-20-30-31-21-19-28(23-34(31)37(33(30)22-25)27-14-5-2-6-15-27)36(26-12-3-1-4-13-26)32-17-9-11-24-10-7-8-16-29(24)32/h1-30H;2*1-23H.

What are the key properties of 6-bromo-9-naphthalen-1-yl-N,N-diphenylcarbazol-2-amine;7-bromo-N-naphthalen-1-yl-N,9-diphenylcarbazol-2-amine;9-(4-bromophenyl)-N-(3,5-diphenylphenyl)-N-phenylphenanthren-3-amine?

6-bromo-9-naphthalen-1-yl-N,N-diphenylcarbazol-2-amine;7-bromo-N-naphthalen-1-yl-N,9-diphenylcarbazol-2-amine;9-(4-bromophenyl)-N-(3,5-diphenylphenyl)-N-phenylphenanthren-3-amine has a molecular weight of 1731.59 g/mol, XLogP of 33.56, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-9-naphthalen-1-yl-N,N-diphenylcarbazol-2-amine;7-bromo-N-naphthalen-1-yl-N,9-diphenylcarbazol-2-amine;9-(4-bromophenyl)-N-(3,5-diphenylphenyl)-N-phenylphenanthren-3-amine is sourced from PubChem (CID 162121806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).