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

C59H35N5O — CID 167347795

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

5-[2-[4-naphthalen-1-yl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole (PubChem CID 167347795) has the molecular formula C59H35N5O and a molecular weight of 829.96 g/mol. Its IUPAC name is 5-[2-[4-naphthalen-1-yl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole.

Molecular Properties

• Compound Name: 5-[2-[4-naphthalen-1-yl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole
• PubChem CID: 167347795
• Molecular Formula: C59H35N5O
• Molecular Weight: 829.96 g/mol
• Exact Mass: 829.28
• IUPAC Name: 5-[2-[4-naphthalen-1-yl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole
• SMILES: c1ccc(-n2c3ccccc3c3cccc(-c4nc(-c5ccc6oc7ccccc7c6c5-n5c6ccccc6c6cc7ccccc7cc65)nc(-c5cccc6ccccc56)n4)c32)cc1
• InChI: InChI=1S/C59H35N5O/c1-2-20-39(21-3-1)63-49-29-11-8-23-41(49)43-26-15-28-46(55(43)63)58-60-57(44-27-14-19-36-16-6-7-22-40(36)44)61-59(62-58)47-32-33-53-54(45-25-10-13-31-52(45)65-53)56(47)64-50-30-12-9-24-42(50)48-34-37-17-4-5-18-38(37)35-51(48)64/h1-35H
• InChIKey: PSPXYHHEQGDMHN-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-[2-[4-naphthalen-1-yl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole?

The IUPAC name of 5-[2-[4-naphthalen-1-yl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole (CID 167347795) is 5-[2-[4-naphthalen-1-yl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole.

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

The canonical SMILES for 5-[2-[4-naphthalen-1-yl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole is c1ccc(-n2c3ccccc3c3cccc(-c4nc(-c5ccc6oc7ccccc7c6c5-n5c6ccccc6c6cc7ccccc7cc65)nc(-c5cccc6ccccc56)n4)c32)cc1.

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

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

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

5-[2-[4-naphthalen-1-yl-6-(9-phenylcarbazol-1-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-[2-[4-naphthalen-1-yl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole is sourced from PubChem (CID 167347795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).