7-[9-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-10-phenylbenzo[c]carbazole

C59H36N4O — CID 162501390

About 7-[9-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-10-phenylbenzo[c]carbazole

7-[9-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-10-phenylbenzo[c]carbazole (PubChem CID 162501390) has the molecular formula C59H36N4O and a molecular weight of 816.96 g/mol. Its IUPAC name is 7-[9-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-10-phenylbenzo[c]carbazole.

Molecular Properties

• Compound Name: 7-[9-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-10-phenylbenzo[c]carbazole
• PubChem CID: 162501390
• Molecular Formula: C59H36N4O
• Molecular Weight: 816.96 g/mol
• Exact Mass: 816.29
• IUPAC Name: 7-[9-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-10-phenylbenzo[c]carbazole
• SMILES: c1ccc(-c2cccc(-c3nc(-c4ccc5ccccc5c4)nc(-c4cccc5oc6ccc(-n7c8ccc(-c9ccccc9)cc8c8c9ccccc9ccc87)cc6c45)n3)c2)cc1
• InChI: InChI=1S/C59H36N4O/c1-3-13-37(14-4-1)42-20-11-21-44(33-42)57-60-58(45-26-25-39-17-7-8-19-41(39)34-45)62-59(61-57)48-23-12-24-54-56(48)50-36-46(29-32-53(50)64-54)63-51-30-28-43(38-15-5-2-6-16-38)35-49(51)55-47-22-10-9-18-40(47)27-31-52(55)63/h1-36H
• InChIKey: NPMAEMRBHYKXSS-UHFFFAOYSA-N
• XLogP: 15.51
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	816.96
LogP ≤ 5	15.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 7-[9-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-10-phenylbenzo[c]carbazole?

The IUPAC name of 7-[9-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-10-phenylbenzo[c]carbazole (CID 162501390) is 7-[9-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-10-phenylbenzo[c]carbazole.

What is the SMILES notation for 7-[9-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-10-phenylbenzo[c]carbazole?

The canonical SMILES for 7-[9-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-10-phenylbenzo[c]carbazole is c1ccc(-c2cccc(-c3nc(-c4ccc5ccccc5c4)nc(-c4cccc5oc6ccc(-n7c8ccc(-c9ccccc9)cc8c8c9ccccc9ccc87)cc6c45)n3)c2)cc1.

What is the InChIKey of 7-[9-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-10-phenylbenzo[c]carbazole?

The InChIKey is NPMAEMRBHYKXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H36N4O/c1-3-13-37(14-4-1)42-20-11-21-44(33-42)57-60-58(45-26-25-39-17-7-8-19-41(39)34-45)62-59(61-57)48-23-12-24-54-56(48)50-36-46(29-32-53(50)64-54)63-51-30-28-43(38-15-5-2-6-16-38)35-49(51)55-47-22-10-9-18-40(47)27-31-52(55)63/h1-36H.

What are the key properties of 7-[9-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-10-phenylbenzo[c]carbazole?

7-[9-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-10-phenylbenzo[c]carbazole has a molecular weight of 816.96 g/mol, XLogP of 15.51, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[9-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-10-phenylbenzo[c]carbazole is sourced from PubChem (CID 162501390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).