2-N,2-N,7-N,7-N-tetrakis(4-bromophenyl)-9,9-dihexylfluorene-2,7-diamine

C49H48Br4N2 — CID 134849382

About 2-N,2-N,7-N,7-N-tetrakis(4-bromophenyl)-9,9-dihexylfluorene-2,7-diamine

2-N,2-N,7-N,7-N-tetrakis(4-bromophenyl)-9,9-dihexylfluorene-2,7-diamine (PubChem CID 134849382) has the molecular formula C49H48Br4N2 and a molecular weight of 984.55 g/mol. Its IUPAC name is 2-N,2-N,7-N,7-N-tetrakis(4-bromophenyl)-9,9-dihexylfluorene-2,7-diamine.

Molecular Properties

• Compound Name: 2-N,2-N,7-N,7-N-tetrakis(4-bromophenyl)-9,9-dihexylfluorene-2,7-diamine
• PubChem CID: 134849382
• Molecular Formula: C49H48Br4N2
• Molecular Weight: 984.55 g/mol
• Exact Mass: 980.06
• IUPAC Name: 2-N,2-N,7-N,7-N-tetrakis(4-bromophenyl)-9,9-dihexylfluorene-2,7-diamine
• SMILES: CCCCCCC1(CCCCCC)c2cc(N(c3ccc(Br)cc3)c3ccc(Br)cc3)ccc2-c2ccc(N(c3ccc(Br)cc3)c3ccc(Br)cc3)cc21
• InChI: InChI=1S/C49H48Br4N2/c1-3-5-7-9-31-49(32-10-8-6-4-2)47-33-43(54(39-19-11-35(50)12-20-39)40-21-13-36(51)14-22-40)27-29-45(47)46-30-28-44(34-48(46)49)55(41-23-15-37(52)16-24-41)42-25-17-38(53)18-26-42/h11-30,33-34H,3-10,31-32H2,1-2H3
• InChIKey: FPSGJMUCCHUNRR-UHFFFAOYSA-N
• XLogP: 17.88
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 16
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	984.55
LogP ≤ 5	17.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,7-N,7-N-tetrakis(4-bromophenyl)-9,9-dihexylfluorene-2,7-diamine?

The IUPAC name of 2-N,2-N,7-N,7-N-tetrakis(4-bromophenyl)-9,9-dihexylfluorene-2,7-diamine (CID 134849382) is 2-N,2-N,7-N,7-N-tetrakis(4-bromophenyl)-9,9-dihexylfluorene-2,7-diamine.

What is the SMILES notation for 2-N,2-N,7-N,7-N-tetrakis(4-bromophenyl)-9,9-dihexylfluorene-2,7-diamine?

The canonical SMILES for 2-N,2-N,7-N,7-N-tetrakis(4-bromophenyl)-9,9-dihexylfluorene-2,7-diamine is CCCCCCC1(CCCCCC)c2cc(N(c3ccc(Br)cc3)c3ccc(Br)cc3)ccc2-c2ccc(N(c3ccc(Br)cc3)c3ccc(Br)cc3)cc21.

What is the InChIKey of 2-N,2-N,7-N,7-N-tetrakis(4-bromophenyl)-9,9-dihexylfluorene-2,7-diamine?

The InChIKey is FPSGJMUCCHUNRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H48Br4N2/c1-3-5-7-9-31-49(32-10-8-6-4-2)47-33-43(54(39-19-11-35(50)12-20-39)40-21-13-36(51)14-22-40)27-29-45(47)46-30-28-44(34-48(46)49)55(41-23-15-37(52)16-24-41)42-25-17-38(53)18-26-42/h11-30,33-34H,3-10,31-32H2,1-2H3.

What are the key properties of 2-N,2-N,7-N,7-N-tetrakis(4-bromophenyl)-9,9-dihexylfluorene-2,7-diamine?

2-N,2-N,7-N,7-N-tetrakis(4-bromophenyl)-9,9-dihexylfluorene-2,7-diamine has a molecular weight of 984.55 g/mol, XLogP of 17.88, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N,2-N,7-N,7-N-tetrakis(4-bromophenyl)-9,9-dihexylfluorene-2,7-diamine is sourced from PubChem (CID 134849382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).