9-[4-(2,3,4,5,6-pentafluorophenyl)-3-[2-(2-phenyl-4-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-2-(2-phenyl-4-pyridinyl)carbazole

C59H32F8N4 — CID 154960404

About 9-[4-(2,3,4,5,6-pentafluorophenyl)-3-[2-(2-phenyl-4-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-2-(2-phenyl-4-pyridinyl)carbazole

9-[4-(2,3,4,5,6-pentafluorophenyl)-3-[2-(2-phenyl-4-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-2-(2-phenyl-4-pyridinyl)carbazole (PubChem CID 154960404) has the molecular formula C59H32F8N4 and a molecular weight of 948.92 g/mol. Its IUPAC name is 9-[4-(2,3,4,5,6-pentafluorophenyl)-3-[2-(2-phenyl-4-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-2-(2-phenyl-4-pyridinyl)carbazole.

Molecular Properties

• Compound Name: 9-[4-(2,3,4,5,6-pentafluorophenyl)-3-[2-(2-phenyl-4-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-2-(2-phenyl-4-pyridinyl)carbazole
• PubChem CID: 154960404
• Molecular Formula: C59H32F8N4
• Molecular Weight: 948.92 g/mol
• Exact Mass: 948.25
• IUPAC Name: 9-[4-(2,3,4,5,6-pentafluorophenyl)-3-[2-(2-phenyl-4-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-2-(2-phenyl-4-pyridinyl)carbazole
• SMILES: Fc1c(F)c(F)c(-c2ccc(-n3c4ccccc4c4ccc(-c5ccnc(-c6ccccc6)c5)cc43)c(C(F)(F)F)c2-n2c3ccccc3c3ccc(-c4ccnc(-c5ccccc5)c4)cc32)c(F)c1F
• InChI: InChI=1S/C59H32F8N4/c60-53-51(54(61)56(63)57(64)55(53)62)43-23-24-48(70-46-17-9-7-15-39(46)41-21-19-35(31-49(41)70)37-25-27-68-44(29-37)33-11-3-1-4-12-33)52(59(65,66)67)58(43)71-47-18-10-8-16-40(47)42-22-20-36(32-50(42)71)38-26-28-69-45(30-38)34-13-5-2-6-14-34/h1-32H
• InChIKey: KYEYHGBTJUOEAR-UHFFFAOYSA-N
• XLogP: 16.72
• TPSA: 35.64 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	948.92
LogP ≤ 5	16.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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 9-[4-(2,3,4,5,6-pentafluorophenyl)-3-[2-(2-phenyl-4-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-2-(2-phenyl-4-pyridinyl)carbazole?

The IUPAC name of 9-[4-(2,3,4,5,6-pentafluorophenyl)-3-[2-(2-phenyl-4-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-2-(2-phenyl-4-pyridinyl)carbazole (CID 154960404) is 9-[4-(2,3,4,5,6-pentafluorophenyl)-3-[2-(2-phenyl-4-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-2-(2-phenyl-4-pyridinyl)carbazole.

What is the SMILES notation for 9-[4-(2,3,4,5,6-pentafluorophenyl)-3-[2-(2-phenyl-4-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-2-(2-phenyl-4-pyridinyl)carbazole?

The canonical SMILES for 9-[4-(2,3,4,5,6-pentafluorophenyl)-3-[2-(2-phenyl-4-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-2-(2-phenyl-4-pyridinyl)carbazole is Fc1c(F)c(F)c(-c2ccc(-n3c4ccccc4c4ccc(-c5ccnc(-c6ccccc6)c5)cc43)c(C(F)(F)F)c2-n2c3ccccc3c3ccc(-c4ccnc(-c5ccccc5)c4)cc32)c(F)c1F.

What is the InChIKey of 9-[4-(2,3,4,5,6-pentafluorophenyl)-3-[2-(2-phenyl-4-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-2-(2-phenyl-4-pyridinyl)carbazole?

The InChIKey is KYEYHGBTJUOEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H32F8N4/c60-53-51(54(61)56(63)57(64)55(53)62)43-23-24-48(70-46-17-9-7-15-39(46)41-21-19-35(31-49(41)70)37-25-27-68-44(29-37)33-11-3-1-4-12-33)52(59(65,66)67)58(43)71-47-18-10-8-16-40(47)42-22-20-36(32-50(42)71)38-26-28-69-45(30-38)34-13-5-2-6-14-34/h1-32H.

What are the key properties of 9-[4-(2,3,4,5,6-pentafluorophenyl)-3-[2-(2-phenyl-4-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-2-(2-phenyl-4-pyridinyl)carbazole?

9-[4-(2,3,4,5,6-pentafluorophenyl)-3-[2-(2-phenyl-4-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-2-(2-phenyl-4-pyridinyl)carbazole has a molecular weight of 948.92 g/mol, XLogP of 16.72, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-(2,3,4,5,6-pentafluorophenyl)-3-[2-(2-phenyl-4-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-2-(2-phenyl-4-pyridinyl)carbazole is sourced from PubChem (CID 154960404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).