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

C82H50F3N7 — CID 155647003

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

9-[4-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-(3-isocyanophenyl)-5-(trifluoromethyl)phenyl]-3,6-bis(2-phenyl-3-pyridinyl)carbazole (PubChem CID 155647003) has the molecular formula C82H50F3N7 and a molecular weight of 1190.35 g/mol. Its IUPAC name is 9-[4-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-(3-isocyanophenyl)-5-(trifluoromethyl)phenyl]-3,6-bis(2-phenyl-3-pyridinyl)carbazole.

Molecular Properties

• Compound Name: 9-[4-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-(3-isocyanophenyl)-5-(trifluoromethyl)phenyl]-3,6-bis(2-phenyl-3-pyridinyl)carbazole
• PubChem CID: 155647003
• Molecular Formula: C82H50F3N7
• Molecular Weight: 1190.35 g/mol
• Exact Mass: 1189.41
• IUPAC Name: 9-[4-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-(3-isocyanophenyl)-5-(trifluoromethyl)phenyl]-3,6-bis(2-phenyl-3-pyridinyl)carbazole
• SMILES: [C-]#[N+]c1cccc(-c2cc(-n3c4ccc(-c5cccnc5-c5ccccc5)cc4c4cc(-c5cccnc5-c5ccccc5)ccc43)c(C(F)(F)F)cc2-n2c3ccc(-c4cccnc4-c4ccccc4)cc3c3cc(-c4cccnc4-c4ccccc4)ccc32)c1
• InChI: InChI=1S/C82H50F3N7/c1-86-61-28-14-27-56(45-61)66-50-77(92-74-39-35-59(64-31-17-43-89-80(64)54-23-10-4-11-24-54)48-69(74)70-49-60(36-40-75(70)92)65-32-18-44-90-81(65)55-25-12-5-13-26-55)71(82(83,84)85)51-76(66)91-72-37-33-57(62-29-15-41-87-78(62)52-19-6-2-7-20-52)46-67(72)68-47-58(34-38-73(68)91)63-30-16-42-88-79(63)53-21-8-3-9-22-53/h2-51H
• InChIKey: IFPNWFVXFHHCJV-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(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-(3-isocyanophenyl)-5-(trifluoromethyl)phenyl]-3,6-bis(2-phenyl-3-pyridinyl)carbazole?

The IUPAC name of 9-[4-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-(3-isocyanophenyl)-5-(trifluoromethyl)phenyl]-3,6-bis(2-phenyl-3-pyridinyl)carbazole (CID 155647003) is 9-[4-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-(3-isocyanophenyl)-5-(trifluoromethyl)phenyl]-3,6-bis(2-phenyl-3-pyridinyl)carbazole.

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

The canonical SMILES for 9-[4-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-(3-isocyanophenyl)-5-(trifluoromethyl)phenyl]-3,6-bis(2-phenyl-3-pyridinyl)carbazole is [C-]#[N+]c1cccc(-c2cc(-n3c4ccc(-c5cccnc5-c5ccccc5)cc4c4cc(-c5cccnc5-c5ccccc5)ccc43)c(C(F)(F)F)cc2-n2c3ccc(-c4cccnc4-c4ccccc4)cc3c3cc(-c4cccnc4-c4ccccc4)ccc32)c1.

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

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

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

9-[4-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-(3-isocyanophenyl)-5-(trifluoromethyl)phenyl]-3,6-bis(2-phenyl-3-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(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-(3-isocyanophenyl)-5-(trifluoromethyl)phenyl]-3,6-bis(2-phenyl-3-pyridinyl)carbazole is sourced from PubChem (CID 155647003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).