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

C83H52F3N7 — CID 159423485

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

9-[2-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-isocyano-5-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-3,6-bis(2-phenyl-3-pyridinyl)carbazole (PubChem CID 159423485) has the molecular formula C83H52F3N7 and a molecular weight of 1204.37 g/mol. Its IUPAC name is 9-[2-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-isocyano-5-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-3,6-bis(2-phenyl-3-pyridinyl)carbazole.

Molecular Properties

• Compound Name: 9-[2-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-isocyano-5-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-3,6-bis(2-phenyl-3-pyridinyl)carbazole
• PubChem CID: 159423485
• Molecular Formula: C83H52F3N7
• Molecular Weight: 1204.37 g/mol
• Exact Mass: 1203.42
• IUPAC Name: 9-[2-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-isocyano-5-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-3,6-bis(2-phenyl-3-pyridinyl)carbazole
• SMILES: [C-]#[N+]c1cc(-n2c3ccc(-c4cccnc4-c4ccccc4)cc3c3cc(-c4cccnc4-c4ccccc4)ccc32)c(-n2c3ccc(-c4cccnc4-c4ccccc4)cc3c3cc(-c4cccnc4-c4ccccc4)ccc32)cc1-c1c(C)cccc1C(F)(F)F
• InChI: InChI=1S/C83H52F3N7/c1-52-20-15-33-70(83(84,85)86)78(52)69-50-76(92-72-38-34-57(61-29-16-42-88-79(61)53-21-7-3-8-22-53)46-65(72)66-47-58(35-39-73(66)92)62-30-17-43-89-80(62)54-23-9-4-10-24-54)77(51-71(69)87-2)93-74-40-36-59(63-31-18-44-90-81(63)55-25-11-5-12-26-55)48-67(74)68-49-60(37-41-75(68)93)64-32-19-45-91-82(64)56-27-13-6-14-28-56/h3-51H,1H3
• InChIKey: LQBCIXKDPPPNHT-UHFFFAOYSA-N
• XLogP: 22.34
• TPSA: 65.78 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1204.37
LogP ≤ 5	22.34
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-[2-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-isocyano-5-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-3,6-bis(2-phenyl-3-pyridinyl)carbazole?

The IUPAC name of 9-[2-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-isocyano-5-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-3,6-bis(2-phenyl-3-pyridinyl)carbazole (CID 159423485) is 9-[2-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-isocyano-5-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-3,6-bis(2-phenyl-3-pyridinyl)carbazole.

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

The canonical SMILES for 9-[2-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-isocyano-5-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-3,6-bis(2-phenyl-3-pyridinyl)carbazole is [C-]#[N+]c1cc(-n2c3ccc(-c4cccnc4-c4ccccc4)cc3c3cc(-c4cccnc4-c4ccccc4)ccc32)c(-n2c3ccc(-c4cccnc4-c4ccccc4)cc3c3cc(-c4cccnc4-c4ccccc4)ccc32)cc1-c1c(C)cccc1C(F)(F)F.

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

The InChIKey is LQBCIXKDPPPNHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C83H52F3N7/c1-52-20-15-33-70(83(84,85)86)78(52)69-50-76(92-72-38-34-57(61-29-16-42-88-79(61)53-21-7-3-8-22-53)46-65(72)66-47-58(35-39-73(66)92)62-30-17-43-89-80(62)54-23-9-4-10-24-54)77(51-71(69)87-2)93-74-40-36-59(63-31-18-44-90-81(63)55-25-11-5-12-26-55)48-67(74)68-49-60(37-41-75(68)93)64-32-19-45-91-82(64)56-27-13-6-14-28-56/h3-51H,1H3.

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

9-[2-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-isocyano-5-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-3,6-bis(2-phenyl-3-pyridinyl)carbazole has a molecular weight of 1204.37 g/mol, XLogP of 22.34, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[2-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-isocyano-5-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-3,6-bis(2-phenyl-3-pyridinyl)carbazole is sourced from PubChem (CID 159423485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).