9-[3-[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-(2,3,4,5,6-pentafluorophenyl)-2-(trifluoromethyl)phenyl]-2,7-bis(6-phenyl-3-pyridinyl)carbazole

C81H46F8N6 — CID 154960401

About 9-[3-[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-(2,3,4,5,6-pentafluorophenyl)-2-(trifluoromethyl)phenyl]-2,7-bis(6-phenyl-3-pyridinyl)carbazole

9-[3-[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-(2,3,4,5,6-pentafluorophenyl)-2-(trifluoromethyl)phenyl]-2,7-bis(6-phenyl-3-pyridinyl)carbazole (PubChem CID 154960401) has the molecular formula C81H46F8N6 and a molecular weight of 1255.28 g/mol. Its IUPAC name is 9-[3-[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-(2,3,4,5,6-pentafluorophenyl)-2-(trifluoromethyl)phenyl]-2,7-bis(6-phenyl-3-pyridinyl)carbazole.

Molecular Properties

• Compound Name: 9-[3-[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-(2,3,4,5,6-pentafluorophenyl)-2-(trifluoromethyl)phenyl]-2,7-bis(6-phenyl-3-pyridinyl)carbazole
• PubChem CID: 154960401
• Molecular Formula: C81H46F8N6
• Molecular Weight: 1255.28 g/mol
• Exact Mass: 1254.37
• IUPAC Name: 9-[3-[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-(2,3,4,5,6-pentafluorophenyl)-2-(trifluoromethyl)phenyl]-2,7-bis(6-phenyl-3-pyridinyl)carbazole
• SMILES: Fc1c(F)c(F)c(-c2ccc(-n3c4cc(-c5ccc(-c6ccccc6)nc5)ccc4c4ccc(-c5ccc(-c6ccccc6)nc5)cc43)c(C(F)(F)F)c2-n2c3cc(-c4ccc(-c5ccccc5)nc4)ccc3c3ccc(-c4ccc(-c5ccccc5)nc4)cc32)c(F)c1F
• InChI: InChI=1S/C81H46F8N6/c82-75-73(76(83)78(85)79(86)77(75)84)63-33-38-68(94-69-39-51(55-25-34-64(90-43-55)47-13-5-1-6-14-47)21-29-59(69)60-30-22-52(40-70(60)94)56-26-35-65(91-44-56)48-15-7-2-8-16-48)74(81(87,88)89)80(63)95-71-41-53(57-27-36-66(92-45-57)49-17-9-3-10-18-49)23-31-61(71)62-32-24-54(42-72(62)95)58-28-37-67(93-46-58)50-19-11-4-12-20-50/h1-46H
• InChIKey: UQUAVSYMIJJJHI-UHFFFAOYSA-N
• XLogP: 22.18
• TPSA: 61.42 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1255.28
LogP ≤ 5	22.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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-[3-[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-(2,3,4,5,6-pentafluorophenyl)-2-(trifluoromethyl)phenyl]-2,7-bis(6-phenyl-3-pyridinyl)carbazole?

The IUPAC name of 9-[3-[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-(2,3,4,5,6-pentafluorophenyl)-2-(trifluoromethyl)phenyl]-2,7-bis(6-phenyl-3-pyridinyl)carbazole (CID 154960401) is 9-[3-[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-(2,3,4,5,6-pentafluorophenyl)-2-(trifluoromethyl)phenyl]-2,7-bis(6-phenyl-3-pyridinyl)carbazole.

What is the SMILES notation for 9-[3-[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-(2,3,4,5,6-pentafluorophenyl)-2-(trifluoromethyl)phenyl]-2,7-bis(6-phenyl-3-pyridinyl)carbazole?

The canonical SMILES for 9-[3-[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-(2,3,4,5,6-pentafluorophenyl)-2-(trifluoromethyl)phenyl]-2,7-bis(6-phenyl-3-pyridinyl)carbazole is Fc1c(F)c(F)c(-c2ccc(-n3c4cc(-c5ccc(-c6ccccc6)nc5)ccc4c4ccc(-c5ccc(-c6ccccc6)nc5)cc43)c(C(F)(F)F)c2-n2c3cc(-c4ccc(-c5ccccc5)nc4)ccc3c3ccc(-c4ccc(-c5ccccc5)nc4)cc32)c(F)c1F.

What is the InChIKey of 9-[3-[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-(2,3,4,5,6-pentafluorophenyl)-2-(trifluoromethyl)phenyl]-2,7-bis(6-phenyl-3-pyridinyl)carbazole?

The InChIKey is UQUAVSYMIJJJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H46F8N6/c82-75-73(76(83)78(85)79(86)77(75)84)63-33-38-68(94-69-39-51(55-25-34-64(90-43-55)47-13-5-1-6-14-47)21-29-59(69)60-30-22-52(40-70(60)94)56-26-35-65(91-44-56)48-15-7-2-8-16-48)74(81(87,88)89)80(63)95-71-41-53(57-27-36-66(92-45-57)49-17-9-3-10-18-49)23-31-61(71)62-32-24-54(42-72(62)95)58-28-37-67(93-46-58)50-19-11-4-12-20-50/h1-46H.

What are the key properties of 9-[3-[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-(2,3,4,5,6-pentafluorophenyl)-2-(trifluoromethyl)phenyl]-2,7-bis(6-phenyl-3-pyridinyl)carbazole?

9-[3-[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-(2,3,4,5,6-pentafluorophenyl)-2-(trifluoromethyl)phenyl]-2,7-bis(6-phenyl-3-pyridinyl)carbazole has a molecular weight of 1255.28 g/mol, XLogP of 22.18, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[3-[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-(2,3,4,5,6-pentafluorophenyl)-2-(trifluoromethyl)phenyl]-2,7-bis(6-phenyl-3-pyridinyl)carbazole is sourced from PubChem (CID 154960401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).