5-[4-(2-dibenzofuran-2-yl-6-naphthalen-2-yl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-1-yl]benzo[b]carbazole

C53H32N4O2 — CID 166700234

About 5-[4-(2-dibenzofuran-2-yl-6-naphthalen-2-yl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-1-yl]benzo[b]carbazole

5-[4-(2-dibenzofuran-2-yl-6-naphthalen-2-yl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-1-yl]benzo[b]carbazole (PubChem CID 166700234) has the molecular formula C53H32N4O2 and a molecular weight of 756.87 g/mol. Its IUPAC name is 5-[4-(2-dibenzofuran-2-yl-6-naphthalen-2-yl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-1-yl]benzo[b]carbazole.

Molecular Properties

• Compound Name: 5-[4-(2-dibenzofuran-2-yl-6-naphthalen-2-yl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-1-yl]benzo[b]carbazole
• PubChem CID: 166700234
• Molecular Formula: C53H32N4O2
• Molecular Weight: 756.87 g/mol
• Exact Mass: 756.25
• IUPAC Name: 5-[4-(2-dibenzofuran-2-yl-6-naphthalen-2-yl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-1-yl]benzo[b]carbazole
• SMILES: c1ccc2cc(C3=NC(c4ccc(-n5c6ccccc6c6cc7ccccc7cc65)c5c4oc4ccccc45)=NC(c4ccc5oc6ccccc6c5c4)N3)ccc2c1
• InChI: InChI=1S/C53H32N4O2/c1-2-12-32-27-35(22-21-31(32)11-1)51-54-52(36-23-26-48-42(29-36)38-16-6-9-19-46(38)58-48)56-53(55-51)40-24-25-44(49-39-17-7-10-20-47(39)59-50(40)49)57-43-18-8-5-15-37(43)41-28-33-13-3-4-14-34(33)30-45(41)57/h1-30,52H,(H,54,55,56)
• InChIKey: GFJIQJAZOCCNDM-UHFFFAOYSA-N
• XLogP: 13.38
• TPSA: 67.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	756.87
LogP ≤ 5	13.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-dibenzofuran-2-yl-6-naphthalen-2-yl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-1-yl]benzo[b]carbazole?

The IUPAC name of 5-[4-(2-dibenzofuran-2-yl-6-naphthalen-2-yl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-1-yl]benzo[b]carbazole (CID 166700234) is 5-[4-(2-dibenzofuran-2-yl-6-naphthalen-2-yl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-1-yl]benzo[b]carbazole.

What is the SMILES notation for 5-[4-(2-dibenzofuran-2-yl-6-naphthalen-2-yl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-1-yl]benzo[b]carbazole?

The canonical SMILES for 5-[4-(2-dibenzofuran-2-yl-6-naphthalen-2-yl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-1-yl]benzo[b]carbazole is c1ccc2cc(C3=NC(c4ccc(-n5c6ccccc6c6cc7ccccc7cc65)c5c4oc4ccccc45)=NC(c4ccc5oc6ccccc6c5c4)N3)ccc2c1.

What is the InChIKey of 5-[4-(2-dibenzofuran-2-yl-6-naphthalen-2-yl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-1-yl]benzo[b]carbazole?

The InChIKey is GFJIQJAZOCCNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H32N4O2/c1-2-12-32-27-35(22-21-31(32)11-1)51-54-52(36-23-26-48-42(29-36)38-16-6-9-19-46(38)58-48)56-53(55-51)40-24-25-44(49-39-17-7-10-20-47(39)59-50(40)49)57-43-18-8-5-15-37(43)41-28-33-13-3-4-14-34(33)30-45(41)57/h1-30,52H,(H,54,55,56).

What are the key properties of 5-[4-(2-dibenzofuran-2-yl-6-naphthalen-2-yl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-1-yl]benzo[b]carbazole?

5-[4-(2-dibenzofuran-2-yl-6-naphthalen-2-yl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-1-yl]benzo[b]carbazole has a molecular weight of 756.87 g/mol, XLogP of 13.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-(2-dibenzofuran-2-yl-6-naphthalen-2-yl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-1-yl]benzo[b]carbazole is sourced from PubChem (CID 166700234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).