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

C61H35N5O2 — CID 167347704

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

5-[3-[4-dibenzofuran-4-yl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole (PubChem CID 167347704) has the molecular formula C61H35N5O2 and a molecular weight of 869.98 g/mol. Its IUPAC name is 5-[3-[4-dibenzofuran-4-yl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole.

Molecular Properties

• Compound Name: 5-[3-[4-dibenzofuran-4-yl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole
• PubChem CID: 167347704
• Molecular Formula: C61H35N5O2
• Molecular Weight: 869.98 g/mol
• Exact Mass: 869.28
• IUPAC Name: 5-[3-[4-dibenzofuran-4-yl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole
• SMILES: c1ccc(-n2c3ccccc3c3cccc(-c4nc(-c5cc(-n6c7ccccc7c7cc8ccccc8cc76)c6c(c5)oc5ccccc56)nc(-c5cccc6c5oc5ccccc56)n4)c32)cc1
• InChI: InChI=1S/C61H35N5O2/c1-2-18-39(19-3-1)65-49-28-10-6-20-40(49)43-24-14-26-46(57(43)65)60-62-59(63-61(64-60)47-27-15-25-44-42-22-8-12-30-53(42)68-58(44)47)38-34-52(56-45-23-9-13-31-54(45)67-55(56)35-38)66-50-29-11-7-21-41(50)48-32-36-16-4-5-17-37(36)33-51(48)66/h1-35H
• InChIKey: WJMYVHLANFALAO-UHFFFAOYSA-N
• XLogP: 16.02
• TPSA: 74.81 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	869.98
LogP ≤ 5	16.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 5-[3-[4-dibenzofuran-4-yl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole (CID 167347704) is 5-[3-[4-dibenzofuran-4-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-[3-[4-dibenzofuran-4-yl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole?

The canonical SMILES for 5-[3-[4-dibenzofuran-4-yl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole is c1ccc(-n2c3ccccc3c3cccc(-c4nc(-c5cc(-n6c7ccccc7c7cc8ccccc8cc76)c6c(c5)oc5ccccc56)nc(-c5cccc6c5oc5ccccc56)n4)c32)cc1.

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

The InChIKey is WJMYVHLANFALAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H35N5O2/c1-2-18-39(19-3-1)65-49-28-10-6-20-40(49)43-24-14-26-46(57(43)65)60-62-59(63-61(64-60)47-27-15-25-44-42-22-8-12-30-53(42)68-58(44)47)38-34-52(56-45-23-9-13-31-54(45)67-55(56)35-38)66-50-29-11-7-21-41(50)48-32-36-16-4-5-17-37(36)33-51(48)66/h1-35H.

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

5-[3-[4-dibenzofuran-4-yl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole has a molecular weight of 869.98 g/mol, XLogP of 16.02, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[4-dibenzofuran-4-yl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole is sourced from PubChem (CID 167347704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).