12-[4-dibenzofuran-2-yl-6-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole

C54H33N5O2 — CID 163847238

About 12-[4-dibenzofuran-2-yl-6-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole

12-[4-dibenzofuran-2-yl-6-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole (PubChem CID 163847238) has the molecular formula C54H33N5O2 and a molecular weight of 783.89 g/mol. Its IUPAC name is 12-[4-dibenzofuran-2-yl-6-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole.

Molecular Properties

• Compound Name: 12-[4-dibenzofuran-2-yl-6-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole
• PubChem CID: 163847238
• Molecular Formula: C54H33N5O2
• Molecular Weight: 783.89 g/mol
• Exact Mass: 783.26
• IUPAC Name: 12-[4-dibenzofuran-2-yl-6-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole
• SMILES: CC1(C)c2ccccc2-c2ccc3c4ccccc4n(-c4nc(-c5ccc6oc7ccccc7c6c5)nc(-n5c6ccccc6c6ccc7c8ccccc8oc7c65)n4)c3c21
• InChI: InChI=1S/C54H33N5O2/c1-54(2)41-18-8-3-13-31(41)36-24-25-37-32-14-4-9-19-42(32)58(48(37)47(36)54)52-55-51(30-23-28-46-40(29-30)35-17-7-11-21-44(35)60-46)56-53(57-52)59-43-20-10-5-15-33(43)38-26-27-39-34-16-6-12-22-45(34)61-50(39)49(38)59/h3-29H,1-2H3
• InChIKey: ORGACGVSKCQAGR-UHFFFAOYSA-N
• XLogP: 13.84
• TPSA: 74.81 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	783.89
LogP ≤ 5	13.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 12-[4-dibenzofuran-2-yl-6-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole (CID 163847238) is 12-[4-dibenzofuran-2-yl-6-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole.

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

The canonical SMILES for 12-[4-dibenzofuran-2-yl-6-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole is CC1(C)c2ccccc2-c2ccc3c4ccccc4n(-c4nc(-c5ccc6oc7ccccc7c6c5)nc(-n5c6ccccc6c6ccc7c8ccccc8oc7c65)n4)c3c21.

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

The InChIKey is ORGACGVSKCQAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H33N5O2/c1-54(2)41-18-8-3-13-31(41)36-24-25-37-32-14-4-9-19-42(32)58(48(37)47(36)54)52-55-51(30-23-28-46-40(29-30)35-17-7-11-21-44(35)60-46)56-53(57-52)59-43-20-10-5-15-33(43)38-26-27-39-34-16-6-12-22-45(34)61-50(39)49(38)59/h3-29H,1-2H3.

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

12-[4-dibenzofuran-2-yl-6-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole has a molecular weight of 783.89 g/mol, XLogP of 13.84, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 12-[4-dibenzofuran-2-yl-6-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole is sourced from PubChem (CID 163847238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).