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

C59H32F8N4 — CID 154960852

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

9-[4-(2,3,4,5,6-pentafluorophenyl)-3-[3-(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-3-(6-phenyl-3-pyridinyl)carbazole (PubChem CID 154960852) 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-[3-(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-3-(6-phenyl-3-pyridinyl)carbazole.

Molecular Properties

• Compound Name: 9-[4-(2,3,4,5,6-pentafluorophenyl)-3-[3-(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-3-(6-phenyl-3-pyridinyl)carbazole
• PubChem CID: 154960852
• Molecular Formula: C59H32F8N4
• Molecular Weight: 948.92 g/mol
• Exact Mass: 948.25
• IUPAC Name: 9-[4-(2,3,4,5,6-pentafluorophenyl)-3-[3-(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-3-(6-phenyl-3-pyridinyl)carbazole
• SMILES: Fc1c(F)c(F)c(-c2ccc(-n3c4ccccc4c4cc(-c5ccc(-c6ccccc6)nc5)ccc43)c(C(F)(F)F)c2-n2c3ccccc3c3cc(-c4ccc(-c5ccccc5)nc4)ccc32)c(F)c1F
• InChI: InChI=1S/C59H32F8N4/c60-53-51(54(61)56(63)57(64)55(53)62)41-23-28-50(70-46-17-9-7-15-39(46)42-29-35(21-26-48(42)70)37-19-24-44(68-31-37)33-11-3-1-4-12-33)52(59(65,66)67)58(41)71-47-18-10-8-16-40(47)43-30-36(22-27-49(43)71)38-20-25-45(69-32-38)34-13-5-2-6-14-34/h1-32H
• InChIKey: MQMWEGMLWGOXQW-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-[3-(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-3-(6-phenyl-3-pyridinyl)carbazole?

The IUPAC name of 9-[4-(2,3,4,5,6-pentafluorophenyl)-3-[3-(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-3-(6-phenyl-3-pyridinyl)carbazole (CID 154960852) is 9-[4-(2,3,4,5,6-pentafluorophenyl)-3-[3-(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-3-(6-phenyl-3-pyridinyl)carbazole.

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

The canonical SMILES for 9-[4-(2,3,4,5,6-pentafluorophenyl)-3-[3-(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-3-(6-phenyl-3-pyridinyl)carbazole is Fc1c(F)c(F)c(-c2ccc(-n3c4ccccc4c4cc(-c5ccc(-c6ccccc6)nc5)ccc43)c(C(F)(F)F)c2-n2c3ccccc3c3cc(-c4ccc(-c5ccccc5)nc4)ccc32)c(F)c1F.

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

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

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

9-[4-(2,3,4,5,6-pentafluorophenyl)-3-[3-(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-3-(6-phenyl-3-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-[3-(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-3-(6-phenyl-3-pyridinyl)carbazole is sourced from PubChem (CID 154960852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).