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

C55H36N4O — CID 166699128

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

5-[3-[4-(3-phenylphenyl)-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-1-yl]benzo[b]carbazole (PubChem CID 166699128) has the molecular formula C55H36N4O and a molecular weight of 768.92 g/mol. Its IUPAC name is 5-[3-[4-(3-phenylphenyl)-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-1-yl]benzo[b]carbazole.

Molecular Properties

• Compound Name: 5-[3-[4-(3-phenylphenyl)-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-1-yl]benzo[b]carbazole
• PubChem CID: 166699128
• Molecular Formula: C55H36N4O
• Molecular Weight: 768.92 g/mol
• Exact Mass: 768.29
• IUPAC Name: 5-[3-[4-(3-phenylphenyl)-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-1-yl]benzo[b]carbazole
• SMILES: c1ccc(-c2ccc(C3N=C(c4cccc(-c5ccccc5)c4)N=C(c4cc(-n5c6ccccc6c6cc7ccccc7cc65)c5c(c4)oc4ccccc45)N3)cc2)cc1
• InChI: InChI=1S/C55H36N4O/c1-3-14-35(15-4-1)37-26-28-38(29-27-37)53-56-54(42-21-13-20-39(30-42)36-16-5-2-6-17-36)58-55(57-53)43-33-49(52-45-23-10-12-25-50(45)60-51(52)34-43)59-47-24-11-9-22-44(47)46-31-40-18-7-8-19-41(40)32-48(46)59/h1-34,53H,(H,56,57,58)
• InChIKey: LGLWAAMLGBELDR-UHFFFAOYSA-N
• XLogP: 13.67
• TPSA: 54.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	768.92
LogP ≤ 5	13.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 5-[3-[4-(3-phenylphenyl)-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-1-yl]benzo[b]carbazole (CID 166699128) is 5-[3-[4-(3-phenylphenyl)-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-1-yl]benzo[b]carbazole.

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

The canonical SMILES for 5-[3-[4-(3-phenylphenyl)-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-1-yl]benzo[b]carbazole is c1ccc(-c2ccc(C3N=C(c4cccc(-c5ccccc5)c4)N=C(c4cc(-n5c6ccccc6c6cc7ccccc7cc65)c5c(c4)oc4ccccc45)N3)cc2)cc1.

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

The InChIKey is LGLWAAMLGBELDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H36N4O/c1-3-14-35(15-4-1)37-26-28-38(29-27-37)53-56-54(42-21-13-20-39(30-42)36-16-5-2-6-17-36)58-55(57-53)43-33-49(52-45-23-10-12-25-50(45)60-51(52)34-43)59-47-24-11-9-22-44(47)46-31-40-18-7-8-19-41(40)32-48(46)59/h1-34,53H,(H,56,57,58).

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

5-[3-[4-(3-phenylphenyl)-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-1-yl]benzo[b]carbazole has a molecular weight of 768.92 g/mol, XLogP of 13.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[4-(3-phenylphenyl)-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-1-yl]benzo[b]carbazole is sourced from PubChem (CID 166699128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).