5-[3-[4-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole

C59H35N5O — CID 166700089

About 5-[3-[4-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole

5-[3-[4-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole (PubChem CID 166700089) has the molecular formula C59H35N5O and a molecular weight of 829.96 g/mol. Its IUPAC name is 5-[3-[4-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole.

Molecular Properties

• Compound Name: 5-[3-[4-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole
• PubChem CID: 166700089
• Molecular Formula: C59H35N5O
• Molecular Weight: 829.96 g/mol
• Exact Mass: 829.28
• IUPAC Name: 5-[3-[4-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole
• SMILES: c1ccc(-n2c3ccccc3c3cc(-c4nc(-c5cc(-n6c7ccccc7c7cc8ccccc8cc76)c6c(c5)oc5ccccc56)nc(-c5cccc6ccccc56)n4)ccc32)cc1
• InChI: InChI=1S/C59H35N5O/c1-2-19-41(20-3-1)63-49-26-11-8-22-43(49)47-32-39(29-30-51(47)63)57-60-58(62-59(61-57)45-25-14-18-36-15-6-7-21-42(36)45)40-34-53(56-46-24-10-13-28-54(46)65-55(56)35-40)64-50-27-12-9-23-44(50)48-31-37-16-4-5-17-38(37)33-52(48)64/h1-35H
• InChIKey: ZIHJXGGYSCQHNX-UHFFFAOYSA-N
• XLogP: 15.27
• TPSA: 61.67 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	829.96
LogP ≤ 5	15.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole?

The IUPAC name of 5-[3-[4-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole (CID 166700089) is 5-[3-[4-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole.

What is the SMILES notation for 5-[3-[4-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole?

The canonical SMILES for 5-[3-[4-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole is c1ccc(-n2c3ccccc3c3cc(-c4nc(-c5cc(-n6c7ccccc7c7cc8ccccc8cc76)c6c(c5)oc5ccccc56)nc(-c5cccc6ccccc56)n4)ccc32)cc1.

What is the InChIKey of 5-[3-[4-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole?

The InChIKey is ZIHJXGGYSCQHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H35N5O/c1-2-19-41(20-3-1)63-49-26-11-8-22-43(49)47-32-39(29-30-51(47)63)57-60-58(62-59(61-57)45-25-14-18-36-15-6-7-21-42(36)45)40-34-53(56-46-24-10-13-28-54(46)65-55(56)35-40)64-50-27-12-9-23-44(50)48-31-37-16-4-5-17-38(37)33-52(48)64/h1-35H.

What are the key properties of 5-[3-[4-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole?

5-[3-[4-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole has a molecular weight of 829.96 g/mol, XLogP of 15.27, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[4-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole is sourced from PubChem (CID 166700089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).