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

C61H37N5O — CID 166699692

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

5-[2-[4-(9-phenylcarbazol-4-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole (PubChem CID 166699692) has the molecular formula C61H37N5O and a molecular weight of 856.00 g/mol. Its IUPAC name is 5-[2-[4-(9-phenylcarbazol-4-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole.

Molecular Properties

• Compound Name: 5-[2-[4-(9-phenylcarbazol-4-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole
• PubChem CID: 166699692
• Molecular Formula: C61H37N5O
• Molecular Weight: 856.00 g/mol
• Exact Mass: 855.30
• IUPAC Name: 5-[2-[4-(9-phenylcarbazol-4-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole
• SMILES: c1ccc(-c2cccc(-c3nc(-c4cc5c(cc4-n4c6ccccc6c6cc7ccccc7cc64)oc4ccccc45)nc(-c4cccc5c4c4ccccc4n5-c4ccccc4)n3)c2)cc1
• InChI: InChI=1S/C61H37N5O/c1-3-17-38(18-4-1)39-21-15-22-42(33-39)59-62-60(47-28-16-31-53-58(47)46-27-10-13-30-52(46)65(53)43-23-5-2-6-24-43)64-61(63-59)50-36-49-45-26-11-14-32-56(45)67-57(49)37-55(50)66-51-29-12-9-25-44(51)48-34-40-19-7-8-20-41(40)35-54(48)66/h1-37H
• InChIKey: FGGFBLWFJNNEJR-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-[2-[4-(9-phenylcarbazol-4-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole?

The IUPAC name of 5-[2-[4-(9-phenylcarbazol-4-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole (CID 166699692) is 5-[2-[4-(9-phenylcarbazol-4-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole.

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

The canonical SMILES for 5-[2-[4-(9-phenylcarbazol-4-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole is c1ccc(-c2cccc(-c3nc(-c4cc5c(cc4-n4c6ccccc6c6cc7ccccc7cc64)oc4ccccc45)nc(-c4cccc5c4c4ccccc4n5-c4ccccc4)n3)c2)cc1.

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

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

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

5-[2-[4-(9-phenylcarbazol-4-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-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-[2-[4-(9-phenylcarbazol-4-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole is sourced from PubChem (CID 166699692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).