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

C82H50F3N7 — CID 155647075

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

9-[4-[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-2-(3-isocyanophenyl)-5-(trifluoromethyl)phenyl]-3,6-bis(6-phenyl-2-pyridinyl)carbazole (PubChem CID 155647075) has the molecular formula C82H50F3N7 and a molecular weight of 1190.35 g/mol. Its IUPAC name is 9-[4-[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-2-(3-isocyanophenyl)-5-(trifluoromethyl)phenyl]-3,6-bis(6-phenyl-2-pyridinyl)carbazole.

Molecular Properties

• Compound Name: 9-[4-[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-2-(3-isocyanophenyl)-5-(trifluoromethyl)phenyl]-3,6-bis(6-phenyl-2-pyridinyl)carbazole
• PubChem CID: 155647075
• Molecular Formula: C82H50F3N7
• Molecular Weight: 1190.35 g/mol
• Exact Mass: 1189.41
• IUPAC Name: 9-[4-[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-2-(3-isocyanophenyl)-5-(trifluoromethyl)phenyl]-3,6-bis(6-phenyl-2-pyridinyl)carbazole
• SMILES: [C-]#[N+]c1cccc(-c2cc(-n3c4ccc(-c5cccc(-c6ccccc6)n5)cc4c4cc(-c5cccc(-c6ccccc6)n5)ccc43)c(C(F)(F)F)cc2-n2c3ccc(-c4cccc(-c5ccccc5)n4)cc3c3cc(-c4cccc(-c5ccccc5)n4)ccc32)c1
• InChI: InChI=1S/C82H50F3N7/c1-86-61-28-14-27-56(45-61)62-50-81(92-78-43-39-59(74-35-17-31-70(89-74)54-23-10-4-11-24-54)48-65(78)66-49-60(40-44-79(66)92)75-36-18-32-71(90-75)55-25-12-5-13-26-55)67(82(83,84)85)51-80(62)91-76-41-37-57(72-33-15-29-68(87-72)52-19-6-2-7-20-52)46-63(76)64-47-58(38-42-77(64)91)73-34-16-30-69(88-73)53-21-8-3-9-22-53/h2-51H
• InChIKey: DDNRCLZXTFVFOH-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-[4-[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-2-(3-isocyanophenyl)-5-(trifluoromethyl)phenyl]-3,6-bis(6-phenyl-2-pyridinyl)carbazole?

The IUPAC name of 9-[4-[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-2-(3-isocyanophenyl)-5-(trifluoromethyl)phenyl]-3,6-bis(6-phenyl-2-pyridinyl)carbazole (CID 155647075) is 9-[4-[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-2-(3-isocyanophenyl)-5-(trifluoromethyl)phenyl]-3,6-bis(6-phenyl-2-pyridinyl)carbazole.

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

The canonical SMILES for 9-[4-[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-2-(3-isocyanophenyl)-5-(trifluoromethyl)phenyl]-3,6-bis(6-phenyl-2-pyridinyl)carbazole is [C-]#[N+]c1cccc(-c2cc(-n3c4ccc(-c5cccc(-c6ccccc6)n5)cc4c4cc(-c5cccc(-c6ccccc6)n5)ccc43)c(C(F)(F)F)cc2-n2c3ccc(-c4cccc(-c5ccccc5)n4)cc3c3cc(-c4cccc(-c5ccccc5)n4)ccc32)c1.

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

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

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

9-[4-[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-2-(3-isocyanophenyl)-5-(trifluoromethyl)phenyl]-3,6-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-[4-[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-2-(3-isocyanophenyl)-5-(trifluoromethyl)phenyl]-3,6-bis(6-phenyl-2-pyridinyl)carbazole is sourced from PubChem (CID 155647075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).