5-carbazol-9-yl-11-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-12-phenylindolo[2,3-a]carbazole

C64H37F3N6O — CID 155160150

About 5-carbazol-9-yl-11-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-12-phenylindolo[2,3-a]carbazole

5-carbazol-9-yl-11-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-12-phenylindolo[2,3-a]carbazole (PubChem CID 155160150) has the molecular formula C64H37F3N6O and a molecular weight of 963.04 g/mol. Its IUPAC name is 5-carbazol-9-yl-11-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-12-phenylindolo[2,3-a]carbazole.

Molecular Properties

• Compound Name: 5-carbazol-9-yl-11-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-12-phenylindolo[2,3-a]carbazole
• PubChem CID: 155160150
• Molecular Formula: C64H37F3N6O
• Molecular Weight: 963.04 g/mol
• Exact Mass: 962.30
• IUPAC Name: 5-carbazol-9-yl-11-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-12-phenylindolo[2,3-a]carbazole
• SMILES: FC(F)(F)c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c2c(oc3ccccc32)c1-n1c2ccccc2c2cc(-n3c4ccccc4c4ccccc43)c3c4ccccc4n(-c4ccccc4)c3c21
• InChI: InChI=1S/C64H37F3N6O/c65-64(66,67)48-36-47(63-69-61(38-20-4-1-5-21-38)68-62(70-63)39-22-6-2-7-23-39)55-45-30-14-19-35-54(45)74-60(55)58(48)73-51-33-17-12-28-43(51)46-37-53(72-49-31-15-10-26-41(49)42-27-11-16-32-50(42)72)56-44-29-13-18-34-52(44)71(59(56)57(46)73)40-24-8-3-9-25-40/h1-37H
• InChIKey: VRIVZYGRQORIDZ-UHFFFAOYSA-N
• XLogP: 17.08
• TPSA: 66.60 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	963.04
LogP ≤ 5	17.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-carbazol-9-yl-11-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-12-phenylindolo[2,3-a]carbazole?

The IUPAC name of 5-carbazol-9-yl-11-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-12-phenylindolo[2,3-a]carbazole (CID 155160150) is 5-carbazol-9-yl-11-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-12-phenylindolo[2,3-a]carbazole.

What is the SMILES notation for 5-carbazol-9-yl-11-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-12-phenylindolo[2,3-a]carbazole?

The canonical SMILES for 5-carbazol-9-yl-11-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-12-phenylindolo[2,3-a]carbazole is FC(F)(F)c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c2c(oc3ccccc32)c1-n1c2ccccc2c2cc(-n3c4ccccc4c4ccccc43)c3c4ccccc4n(-c4ccccc4)c3c21.

What is the InChIKey of 5-carbazol-9-yl-11-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-12-phenylindolo[2,3-a]carbazole?

The InChIKey is VRIVZYGRQORIDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H37F3N6O/c65-64(66,67)48-36-47(63-69-61(38-20-4-1-5-21-38)68-62(70-63)39-22-6-2-7-23-39)55-45-30-14-19-35-54(45)74-60(55)58(48)73-51-33-17-12-28-43(51)46-37-53(72-49-31-15-10-26-41(49)42-27-11-16-32-50(42)72)56-44-29-13-18-34-52(44)71(59(56)57(46)73)40-24-8-3-9-25-40/h1-37H.

What are the key properties of 5-carbazol-9-yl-11-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-12-phenylindolo[2,3-a]carbazole?

5-carbazol-9-yl-11-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-12-phenylindolo[2,3-a]carbazole has a molecular weight of 963.04 g/mol, XLogP of 17.08, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-carbazol-9-yl-11-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-12-phenylindolo[2,3-a]carbazole is sourced from PubChem (CID 155160150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).