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

C82H50F3N7 — CID 155646865

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

9-[3-[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-5-(3-isocyanophenyl)-2-(trifluoromethyl)phenyl]-2,7-bis(6-phenyl-2-pyridinyl)carbazole (PubChem CID 155646865) has the molecular formula C82H50F3N7 and a molecular weight of 1190.35 g/mol. Its IUPAC name is 9-[3-[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-5-(3-isocyanophenyl)-2-(trifluoromethyl)phenyl]-2,7-bis(6-phenyl-2-pyridinyl)carbazole.

Molecular Properties

• Compound Name: 9-[3-[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-5-(3-isocyanophenyl)-2-(trifluoromethyl)phenyl]-2,7-bis(6-phenyl-2-pyridinyl)carbazole
• PubChem CID: 155646865
• Molecular Formula: C82H50F3N7
• Molecular Weight: 1190.35 g/mol
• Exact Mass: 1189.41
• IUPAC Name: 9-[3-[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-5-(3-isocyanophenyl)-2-(trifluoromethyl)phenyl]-2,7-bis(6-phenyl-2-pyridinyl)carbazole
• SMILES: [C-]#[N+]c1cccc(-c2cc(-n3c4cc(-c5cccc(-c6ccccc6)n5)ccc4c4ccc(-c5cccc(-c6ccccc6)n5)cc43)c(C(F)(F)F)c(-n3c4cc(-c5cccc(-c6ccccc6)n5)ccc4c4ccc(-c5cccc(-c6ccccc6)n5)cc43)c2)c1
• InChI: InChI=1S/C82H50F3N7/c1-86-62-28-14-27-56(45-62)61-50-79(91-75-46-57(71-33-15-29-67(87-71)52-19-6-2-7-20-52)37-41-63(75)64-42-38-58(47-76(64)91)72-34-16-30-68(88-72)53-21-8-3-9-22-53)81(82(83,84)85)80(51-61)92-77-48-59(73-35-17-31-69(89-73)54-23-10-4-11-24-54)39-43-65(77)66-44-40-60(49-78(66)92)74-36-18-32-70(90-74)55-25-12-5-13-26-55/h2-51H
• InChIKey: JPBRBPOYLXQMBM-UHFFFAOYSA-N
• XLogP: 22.03
• TPSA: 65.78 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1190.35
LogP ≤ 5	22.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 9-[3-[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-5-(3-isocyanophenyl)-2-(trifluoromethyl)phenyl]-2,7-bis(6-phenyl-2-pyridinyl)carbazole (CID 155646865) is 9-[3-[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-5-(3-isocyanophenyl)-2-(trifluoromethyl)phenyl]-2,7-bis(6-phenyl-2-pyridinyl)carbazole.

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

The canonical SMILES for 9-[3-[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-5-(3-isocyanophenyl)-2-(trifluoromethyl)phenyl]-2,7-bis(6-phenyl-2-pyridinyl)carbazole is [C-]#[N+]c1cccc(-c2cc(-n3c4cc(-c5cccc(-c6ccccc6)n5)ccc4c4ccc(-c5cccc(-c6ccccc6)n5)cc43)c(C(F)(F)F)c(-n3c4cc(-c5cccc(-c6ccccc6)n5)ccc4c4ccc(-c5cccc(-c6ccccc6)n5)cc43)c2)c1.

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

The InChIKey is JPBRBPOYLXQMBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H50F3N7/c1-86-62-28-14-27-56(45-62)61-50-79(91-75-46-57(71-33-15-29-67(87-71)52-19-6-2-7-20-52)37-41-63(75)64-42-38-58(47-76(64)91)72-34-16-30-68(88-72)53-21-8-3-9-22-53)81(82(83,84)85)80(51-61)92-77-48-59(73-35-17-31-69(89-73)54-23-10-4-11-24-54)39-43-65(77)66-44-40-60(49-78(66)92)74-36-18-32-70(90-74)55-25-12-5-13-26-55/h2-51H.

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

9-[3-[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-5-(3-isocyanophenyl)-2-(trifluoromethyl)phenyl]-2,7-bis(6-phenyl-2-pyridinyl)carbazole has a molecular weight of 1190.35 g/mol, XLogP of 22.03, 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-2-pyridinyl)carbazol-9-yl]-5-(3-isocyanophenyl)-2-(trifluoromethyl)phenyl]-2,7-bis(6-phenyl-2-pyridinyl)carbazole is sourced from PubChem (CID 155646865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).