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

C55H34N4O2 — CID 166700494

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

5-[1-[4-dibenzofuran-4-yl-2-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-3-yl]benzo[b]carbazole (PubChem CID 166700494) has the molecular formula C55H34N4O2 and a molecular weight of 782.90 g/mol. Its IUPAC name is 5-[1-[4-dibenzofuran-4-yl-2-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-3-yl]benzo[b]carbazole.

Molecular Properties

• Compound Name: 5-[1-[4-dibenzofuran-4-yl-2-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-3-yl]benzo[b]carbazole
• PubChem CID: 166700494
• Molecular Formula: C55H34N4O2
• Molecular Weight: 782.90 g/mol
• Exact Mass: 782.27
• IUPAC Name: 5-[1-[4-dibenzofuran-4-yl-2-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-3-yl]benzo[b]carbazole
• SMILES: c1ccc(-c2cccc(C3N=C(c4cccc5c4oc4ccccc45)N=C(c4cc(-n5c6ccccc6c6cc7ccccc7cc65)cc5oc6ccccc6c45)N3)c2)cc1
• InChI: InChI=1S/C55H34N4O2/c1-2-14-33(15-3-1)34-18-12-19-37(28-34)53-56-54(43-24-13-23-41-40-21-7-10-26-48(40)61-52(41)43)58-55(57-53)45-31-38(32-50-51(45)42-22-8-11-27-49(42)60-50)59-46-25-9-6-20-39(46)44-29-35-16-4-5-17-36(35)30-47(44)59/h1-32,53H,(H,56,57,58)
• InChIKey: DILSRTLWIOGXQF-UHFFFAOYSA-N
• XLogP: 13.90
• TPSA: 67.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	782.90
LogP ≤ 5	13.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 5-[1-[4-dibenzofuran-4-yl-2-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-3-yl]benzo[b]carbazole (CID 166700494) is 5-[1-[4-dibenzofuran-4-yl-2-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-3-yl]benzo[b]carbazole.

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

The canonical SMILES for 5-[1-[4-dibenzofuran-4-yl-2-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-3-yl]benzo[b]carbazole is c1ccc(-c2cccc(C3N=C(c4cccc5c4oc4ccccc45)N=C(c4cc(-n5c6ccccc6c6cc7ccccc7cc65)cc5oc6ccccc6c45)N3)c2)cc1.

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

The InChIKey is DILSRTLWIOGXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H34N4O2/c1-2-14-33(15-3-1)34-18-12-19-37(28-34)53-56-54(43-24-13-23-41-40-21-7-10-26-48(40)61-52(41)43)58-55(57-53)45-31-38(32-50-51(45)42-22-8-11-27-49(42)60-50)59-46-25-9-6-20-39(46)44-29-35-16-4-5-17-36(35)30-47(44)59/h1-32,53H,(H,56,57,58).

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

5-[1-[4-dibenzofuran-4-yl-2-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-3-yl]benzo[b]carbazole has a molecular weight of 782.90 g/mol, XLogP of 13.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-[4-dibenzofuran-4-yl-2-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-3-yl]benzo[b]carbazole is sourced from PubChem (CID 166700494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).