4-(7,9-diphenylcarbazol-3-yl)-N-(4-fluorophenyl)-N-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]aniline

C48H28F6N2 — CID 90193946

About 4-(7,9-diphenylcarbazol-3-yl)-N-(4-fluorophenyl)-N-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]aniline

4-(7,9-diphenylcarbazol-3-yl)-N-(4-fluorophenyl)-N-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]aniline (PubChem CID 90193946) has the molecular formula C48H28F6N2 and a molecular weight of 746.75 g/mol. Its IUPAC name is 4-(7,9-diphenylcarbazol-3-yl)-N-(4-fluorophenyl)-N-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]aniline.

Molecular Properties

• Compound Name: 4-(7,9-diphenylcarbazol-3-yl)-N-(4-fluorophenyl)-N-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]aniline
• PubChem CID: 90193946
• Molecular Formula: C48H28F6N2
• Molecular Weight: 746.75 g/mol
• Exact Mass: 746.22
• IUPAC Name: 4-(7,9-diphenylcarbazol-3-yl)-N-(4-fluorophenyl)-N-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]aniline
• SMILES: Fc1ccc(N(c2ccc(-c3ccc4c(c3)c3ccc(-c5ccccc5)cc3n4-c3ccccc3)cc2)c2ccc(-c3c(F)c(F)c(F)c(F)c3F)cc2)cc1
• InChI: InChI=1S/C48H28F6N2/c49-34-17-23-38(24-18-34)55(37-21-13-31(14-22-37)43-44(50)46(52)48(54)47(53)45(43)51)36-19-11-30(12-20-36)32-16-26-41-40(27-32)39-25-15-33(29-7-3-1-4-8-29)28-42(39)56(41)35-9-5-2-6-10-35/h1-28H
• InChIKey: WPCACKFBMUFRGJ-UHFFFAOYSA-N
• XLogP: 14.09
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	746.75
LogP ≤ 5	14.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(7,9-diphenylcarbazol-3-yl)-N-(4-fluorophenyl)-N-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]aniline?

The IUPAC name of 4-(7,9-diphenylcarbazol-3-yl)-N-(4-fluorophenyl)-N-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]aniline (CID 90193946) is 4-(7,9-diphenylcarbazol-3-yl)-N-(4-fluorophenyl)-N-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]aniline.

What is the SMILES notation for 4-(7,9-diphenylcarbazol-3-yl)-N-(4-fluorophenyl)-N-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]aniline?

The canonical SMILES for 4-(7,9-diphenylcarbazol-3-yl)-N-(4-fluorophenyl)-N-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]aniline is Fc1ccc(N(c2ccc(-c3ccc4c(c3)c3ccc(-c5ccccc5)cc3n4-c3ccccc3)cc2)c2ccc(-c3c(F)c(F)c(F)c(F)c3F)cc2)cc1.

What is the InChIKey of 4-(7,9-diphenylcarbazol-3-yl)-N-(4-fluorophenyl)-N-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]aniline?

The InChIKey is WPCACKFBMUFRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28F6N2/c49-34-17-23-38(24-18-34)55(37-21-13-31(14-22-37)43-44(50)46(52)48(54)47(53)45(43)51)36-19-11-30(12-20-36)32-16-26-41-40(27-32)39-25-15-33(29-7-3-1-4-8-29)28-42(39)56(41)35-9-5-2-6-10-35/h1-28H.

What are the key properties of 4-(7,9-diphenylcarbazol-3-yl)-N-(4-fluorophenyl)-N-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]aniline?

4-(7,9-diphenylcarbazol-3-yl)-N-(4-fluorophenyl)-N-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]aniline has a molecular weight of 746.75 g/mol, XLogP of 14.09, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(7,9-diphenylcarbazol-3-yl)-N-(4-fluorophenyl)-N-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]aniline is sourced from PubChem (CID 90193946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).