12-[3-(2-carbazol-9-ylpropan-2-yl)-5-(2-methyl-4-phenanthren-9-ylbutan-2-yl)-4-[1-[2-(2-methylphenyl)dibenzofuran-1-yl]ethyl]-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-a]carbazole

C93H68F6N2O2 — CID 139553273

About 12-[3-(2-carbazol-9-ylpropan-2-yl)-5-(2-methyl-4-phenanthren-9-ylbutan-2-yl)-4-[1-[2-(2-methylphenyl)dibenzofuran-1-yl]ethyl]-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-a]carbazole

12-[3-(2-carbazol-9-ylpropan-2-yl)-5-(2-methyl-4-phenanthren-9-ylbutan-2-yl)-4-[1-[2-(2-methylphenyl)dibenzofuran-1-yl]ethyl]-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-a]carbazole (PubChem CID 139553273) has the molecular formula C93H68F6N2O2 and a molecular weight of 1359.57 g/mol. Its IUPAC name is 12-[3-(2-carbazol-9-ylpropan-2-yl)-5-(2-methyl-4-phenanthren-9-ylbutan-2-yl)-4-[1-[2-(2-methylphenyl)dibenzofuran-1-yl]ethyl]-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-a]carbazole.

Molecular Properties

• Compound Name: 12-[3-(2-carbazol-9-ylpropan-2-yl)-5-(2-methyl-4-phenanthren-9-ylbutan-2-yl)-4-[1-[2-(2-methylphenyl)dibenzofuran-1-yl]ethyl]-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-a]carbazole
• PubChem CID: 139553273
• Molecular Formula: C93H68F6N2O2
• Molecular Weight: 1359.57 g/mol
• Exact Mass: 1358.52
• IUPAC Name: 12-[3-(2-carbazol-9-ylpropan-2-yl)-5-(2-methyl-4-phenanthren-9-ylbutan-2-yl)-4-[1-[2-(2-methylphenyl)dibenzofuran-1-yl]ethyl]-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-a]carbazole
• SMILES: Cc1ccccc1-c1ccc2oc3ccccc3c2c1C(C)c1c(C(C)(C)CCc2cc3ccccc3c3ccccc23)c(-c2ccccc2C(F)(F)F)c(-n2c3ccccc3c3ccc4oc5ccccc5c4c32)c(-c2ccccc2C(F)(F)F)c1C(C)(C)n1c2ccccc2c2ccccc21
• InChI: InChI=1S/C93H68F6N2O2/c1-54-27-7-9-29-58(54)65-47-49-78-82(69-38-18-25-45-76(69)102-78)80(65)55(2)81-86(90(3,4)52-51-57-53-56-28-8-10-30-59(56)61-32-12-11-31-60(57)61)84(67-36-13-20-40-71(67)92(94,95)96)89(100-73-42-22-15-35-64(73)66-48-50-79-83(88(66)100)70-39-19-26-46-77(70)103-79)85(68-37-14-21-41-72(68)93(97,98)99)87(81)91(5,6)101-74-43-23-16-33-62(74)63-34-17-24-44-75(63)101/h7-50,53,55H,51-52H2,1-6H3
• InChIKey: HSBXGVPYGLAICA-UHFFFAOYSA-N
• XLogP: 27.19
• TPSA: 36.14 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1359.57
LogP ≤ 5	27.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 12-[3-(2-carbazol-9-ylpropan-2-yl)-5-(2-methyl-4-phenanthren-9-ylbutan-2-yl)-4-[1-[2-(2-methylphenyl)dibenzofuran-1-yl]ethyl]-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-a]carbazole?

The IUPAC name of 12-[3-(2-carbazol-9-ylpropan-2-yl)-5-(2-methyl-4-phenanthren-9-ylbutan-2-yl)-4-[1-[2-(2-methylphenyl)dibenzofuran-1-yl]ethyl]-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-a]carbazole (CID 139553273) is 12-[3-(2-carbazol-9-ylpropan-2-yl)-5-(2-methyl-4-phenanthren-9-ylbutan-2-yl)-4-[1-[2-(2-methylphenyl)dibenzofuran-1-yl]ethyl]-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-a]carbazole.

What is the SMILES notation for 12-[3-(2-carbazol-9-ylpropan-2-yl)-5-(2-methyl-4-phenanthren-9-ylbutan-2-yl)-4-[1-[2-(2-methylphenyl)dibenzofuran-1-yl]ethyl]-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-a]carbazole?

The canonical SMILES for 12-[3-(2-carbazol-9-ylpropan-2-yl)-5-(2-methyl-4-phenanthren-9-ylbutan-2-yl)-4-[1-[2-(2-methylphenyl)dibenzofuran-1-yl]ethyl]-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-a]carbazole is Cc1ccccc1-c1ccc2oc3ccccc3c2c1C(C)c1c(C(C)(C)CCc2cc3ccccc3c3ccccc23)c(-c2ccccc2C(F)(F)F)c(-n2c3ccccc3c3ccc4oc5ccccc5c4c32)c(-c2ccccc2C(F)(F)F)c1C(C)(C)n1c2ccccc2c2ccccc21.

What is the InChIKey of 12-[3-(2-carbazol-9-ylpropan-2-yl)-5-(2-methyl-4-phenanthren-9-ylbutan-2-yl)-4-[1-[2-(2-methylphenyl)dibenzofuran-1-yl]ethyl]-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-a]carbazole?

The InChIKey is HSBXGVPYGLAICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C93H68F6N2O2/c1-54-27-7-9-29-58(54)65-47-49-78-82(69-38-18-25-45-76(69)102-78)80(65)55(2)81-86(90(3,4)52-51-57-53-56-28-8-10-30-59(56)61-32-12-11-31-60(57)61)84(67-36-13-20-40-71(67)92(94,95)96)89(100-73-42-22-15-35-64(73)66-48-50-79-83(88(66)100)70-39-19-26-46-77(70)103-79)85(68-37-14-21-41-72(68)93(97,98)99)87(81)91(5,6)101-74-43-23-16-33-62(74)63-34-17-24-44-75(63)101/h7-50,53,55H,51-52H2,1-6H3.

What are the key properties of 12-[3-(2-carbazol-9-ylpropan-2-yl)-5-(2-methyl-4-phenanthren-9-ylbutan-2-yl)-4-[1-[2-(2-methylphenyl)dibenzofuran-1-yl]ethyl]-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-a]carbazole?

12-[3-(2-carbazol-9-ylpropan-2-yl)-5-(2-methyl-4-phenanthren-9-ylbutan-2-yl)-4-[1-[2-(2-methylphenyl)dibenzofuran-1-yl]ethyl]-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-a]carbazole has a molecular weight of 1359.57 g/mol, XLogP of 27.19, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 12-[3-(2-carbazol-9-ylpropan-2-yl)-5-(2-methyl-4-phenanthren-9-ylbutan-2-yl)-4-[1-[2-(2-methylphenyl)dibenzofuran-1-yl]ethyl]-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-a]carbazole is sourced from PubChem (CID 139553273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).