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

C59H35N5O — CID 167347943

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

5-[4-[4-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole (PubChem CID 167347943) has the molecular formula C59H35N5O and a molecular weight of 829.96 g/mol. Its IUPAC name is 5-[4-[4-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole.

Molecular Properties

• Compound Name: 5-[4-[4-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole
• PubChem CID: 167347943
• Molecular Formula: C59H35N5O
• Molecular Weight: 829.96 g/mol
• Exact Mass: 829.28
• IUPAC Name: 5-[4-[4-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole
• SMILES: c1ccc(-n2c3ccccc3c3cc(-c4nc(-c5ccc6ccccc6c5)nc(-c5c(-n6c7ccccc7c7cc8ccccc8cc76)ccc6c5oc5ccccc56)n4)ccc32)cc1
• InChI: InChI=1S/C59H35N5O/c1-2-18-42(19-3-1)63-49-23-11-8-20-43(49)47-34-41(28-30-51(47)63)58-60-57(40-27-26-36-14-4-5-15-37(36)32-40)61-59(62-58)55-52(31-29-46-45-22-10-13-25-54(45)65-56(46)55)64-50-24-12-9-21-44(50)48-33-38-16-6-7-17-39(38)35-53(48)64/h1-35H
• InChIKey: GTFLFEXUNAHSOE-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-[4-[4-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole?

The IUPAC name of 5-[4-[4-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole (CID 167347943) is 5-[4-[4-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole.

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

The canonical SMILES for 5-[4-[4-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole is c1ccc(-n2c3ccccc3c3cc(-c4nc(-c5ccc6ccccc6c5)nc(-c5c(-n6c7ccccc7c7cc8ccccc8cc76)ccc6c5oc5ccccc56)n4)ccc32)cc1.

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

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

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

5-[4-[4-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-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-[4-[4-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole is sourced from PubChem (CID 167347943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).