2-[8-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]phenyl]dibenzofuran-1-yl]-9-phenylcarbazole

C63H39N5O — CID 138475052

About 2-[8-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]phenyl]dibenzofuran-1-yl]-9-phenylcarbazole

2-[8-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]phenyl]dibenzofuran-1-yl]-9-phenylcarbazole (PubChem CID 138475052) has the molecular formula C63H39N5O and a molecular weight of 882.04 g/mol. Its IUPAC name is 2-[8-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]phenyl]dibenzofuran-1-yl]-9-phenylcarbazole.

Molecular Properties

• Compound Name: 2-[8-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]phenyl]dibenzofuran-1-yl]-9-phenylcarbazole
• PubChem CID: 138475052
• Molecular Formula: C63H39N5O
• Molecular Weight: 882.04 g/mol
• Exact Mass: 881.32
• IUPAC Name: 2-[8-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]phenyl]dibenzofuran-1-yl]-9-phenylcarbazole
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5cccc(-c6ccc7oc8cccc(-c9ccc%10c%11ccccc%11n(-c%11ccccc%11)c%10c9)c8c7c6)c5)ccc43)n2)cc1
• InChI: InChI=1S/C63H39N5O/c1-4-16-40(17-5-1)61-64-62(41-18-6-2-7-19-41)66-63(65-61)68-55-28-13-11-25-50(55)52-37-44(31-34-56(52)68)42-20-14-21-43(36-42)45-32-35-58-53(38-45)60-48(26-15-29-59(60)69-58)46-30-33-51-49-24-10-12-27-54(49)67(57(51)39-46)47-22-8-3-9-23-47/h1-39H
• InChIKey: DETWHPBMUGICHK-UHFFFAOYSA-N
• XLogP: 16.30
• TPSA: 61.67 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	882.04
LogP ≤ 5	16.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[8-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]phenyl]dibenzofuran-1-yl]-9-phenylcarbazole?

The IUPAC name of 2-[8-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]phenyl]dibenzofuran-1-yl]-9-phenylcarbazole (CID 138475052) is 2-[8-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]phenyl]dibenzofuran-1-yl]-9-phenylcarbazole.

What is the SMILES notation for 2-[8-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]phenyl]dibenzofuran-1-yl]-9-phenylcarbazole?

The canonical SMILES for 2-[8-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]phenyl]dibenzofuran-1-yl]-9-phenylcarbazole is c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5cccc(-c6ccc7oc8cccc(-c9ccc%10c%11ccccc%11n(-c%11ccccc%11)c%10c9)c8c7c6)c5)ccc43)n2)cc1.

What is the InChIKey of 2-[8-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]phenyl]dibenzofuran-1-yl]-9-phenylcarbazole?

The InChIKey is DETWHPBMUGICHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H39N5O/c1-4-16-40(17-5-1)61-64-62(41-18-6-2-7-19-41)66-63(65-61)68-55-28-13-11-25-50(55)52-37-44(31-34-56(52)68)42-20-14-21-43(36-42)45-32-35-58-53(38-45)60-48(26-15-29-59(60)69-58)46-30-33-51-49-24-10-12-27-54(49)67(57(51)39-46)47-22-8-3-9-23-47/h1-39H.

What are the key properties of 2-[8-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]phenyl]dibenzofuran-1-yl]-9-phenylcarbazole?

2-[8-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]phenyl]dibenzofuran-1-yl]-9-phenylcarbazole has a molecular weight of 882.04 g/mol, XLogP of 16.30, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[8-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]phenyl]dibenzofuran-1-yl]-9-phenylcarbazole is sourced from PubChem (CID 138475052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).