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

C61H37N5O — CID 167347698

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

5-[3-[4-(9-phenylcarbazol-4-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole (PubChem CID 167347698) has the molecular formula C61H37N5O and a molecular weight of 856.00 g/mol. Its IUPAC name is 5-[3-[4-(9-phenylcarbazol-4-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole.

Molecular Properties

• Compound Name: 5-[3-[4-(9-phenylcarbazol-4-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole
• PubChem CID: 167347698
• Molecular Formula: C61H37N5O
• Molecular Weight: 856.00 g/mol
• Exact Mass: 855.30
• IUPAC Name: 5-[3-[4-(9-phenylcarbazol-4-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole
• SMILES: c1ccc(-c2ccc(-c3nc(-c4cc(-n5c6ccccc6c6cc7ccccc7cc65)c5c(c4)oc4ccccc45)nc(-c4cccc5c4c4ccccc4n5-c4ccccc4)n3)cc2)cc1
• InChI: InChI=1S/C61H37N5O/c1-3-16-38(17-4-1)39-30-32-40(33-31-39)59-62-60(64-61(63-59)48-25-15-28-52-57(48)46-23-10-13-27-51(46)65(52)44-20-5-2-6-21-44)43-36-54(58-47-24-11-14-29-55(47)67-56(58)37-43)66-50-26-12-9-22-45(50)49-34-41-18-7-8-19-42(41)35-53(49)66/h1-37H
• InChIKey: CSUQEKWZFQURRC-UHFFFAOYSA-N
• XLogP: 15.79
• TPSA: 61.67 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	856.00
LogP ≤ 5	15.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 5-[3-[4-(9-phenylcarbazol-4-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole (CID 167347698) is 5-[3-[4-(9-phenylcarbazol-4-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole.

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

The canonical SMILES for 5-[3-[4-(9-phenylcarbazol-4-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole is c1ccc(-c2ccc(-c3nc(-c4cc(-n5c6ccccc6c6cc7ccccc7cc65)c5c(c4)oc4ccccc45)nc(-c4cccc5c4c4ccccc4n5-c4ccccc4)n3)cc2)cc1.

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

The InChIKey is CSUQEKWZFQURRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H37N5O/c1-3-16-38(17-4-1)39-30-32-40(33-31-39)59-62-60(64-61(63-59)48-25-15-28-52-57(48)46-23-10-13-27-51(46)65(52)44-20-5-2-6-21-44)43-36-54(58-47-24-11-14-29-55(47)67-56(58)37-43)66-50-26-12-9-22-45(50)49-34-41-18-7-8-19-42(41)35-53(49)66/h1-37H.

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

5-[3-[4-(9-phenylcarbazol-4-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole has a molecular weight of 856.00 g/mol, XLogP of 15.79, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[4-(9-phenylcarbazol-4-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole is sourced from PubChem (CID 167347698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).