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

C53H34N4O — CID 166699320

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

5-[2-[6-naphthalen-2-yl-2-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]dibenzofuran-4-yl]benzo[b]carbazole (PubChem CID 166699320) has the molecular formula C53H34N4O and a molecular weight of 742.88 g/mol. Its IUPAC name is 5-[2-[6-naphthalen-2-yl-2-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]dibenzofuran-4-yl]benzo[b]carbazole.

Molecular Properties

• Compound Name: 5-[2-[6-naphthalen-2-yl-2-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]dibenzofuran-4-yl]benzo[b]carbazole
• PubChem CID: 166699320
• Molecular Formula: C53H34N4O
• Molecular Weight: 742.88 g/mol
• Exact Mass: 742.27
• IUPAC Name: 5-[2-[6-naphthalen-2-yl-2-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]dibenzofuran-4-yl]benzo[b]carbazole
• SMILES: c1ccc(-c2cccc(C3N=C(c4cc(-n5c6ccccc6c6cc7ccccc7cc65)c5oc6ccccc6c5c4)N=C(c4ccc5ccccc5c4)N3)c2)cc1
• InChI: InChI=1S/C53H34N4O/c1-2-13-33(14-3-1)36-19-12-20-39(27-36)51-54-52(40-26-25-34-15-4-5-16-35(34)28-40)56-53(55-51)41-30-45-43-22-9-11-24-49(43)58-50(45)48(32-41)57-46-23-10-8-21-42(46)44-29-37-17-6-7-18-38(37)31-47(44)57/h1-32,51H,(H,54,55,56)
• InChIKey: BHEFFNVRJFGJIM-UHFFFAOYSA-N
• XLogP: 13.15
• TPSA: 54.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	742.88
LogP ≤ 5	13.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 5-[2-[6-naphthalen-2-yl-2-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]dibenzofuran-4-yl]benzo[b]carbazole (CID 166699320) is 5-[2-[6-naphthalen-2-yl-2-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]dibenzofuran-4-yl]benzo[b]carbazole.

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

The canonical SMILES for 5-[2-[6-naphthalen-2-yl-2-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]dibenzofuran-4-yl]benzo[b]carbazole is c1ccc(-c2cccc(C3N=C(c4cc(-n5c6ccccc6c6cc7ccccc7cc65)c5oc6ccccc6c5c4)N=C(c4ccc5ccccc5c4)N3)c2)cc1.

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

The InChIKey is BHEFFNVRJFGJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34N4O/c1-2-13-33(14-3-1)36-19-12-20-39(27-36)51-54-52(40-26-25-34-15-4-5-16-35(34)28-40)56-53(55-51)41-30-45-43-22-9-11-24-49(43)58-50(45)48(32-41)57-46-23-10-8-21-42(46)44-29-37-17-6-7-18-38(37)31-47(44)57/h1-32,51H,(H,54,55,56).

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

5-[2-[6-naphthalen-2-yl-2-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]dibenzofuran-4-yl]benzo[b]carbazole has a molecular weight of 742.88 g/mol, XLogP of 13.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[6-naphthalen-2-yl-2-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]dibenzofuran-4-yl]benzo[b]carbazole is sourced from PubChem (CID 166699320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).