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

C69H42N4O2 — CID 168768477

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

3-[3-[3-[9-[4-(4-dibenzofuran-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]phenyl]phenyl]-9-phenylcarbazole (PubChem CID 168768477) has the molecular formula C69H42N4O2 and a molecular weight of 959.12 g/mol. Its IUPAC name is 3-[3-[3-[9-[4-(4-dibenzofuran-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]phenyl]phenyl]-9-phenylcarbazole.

Molecular Properties

• Compound Name: 3-[3-[3-[9-[4-(4-dibenzofuran-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]phenyl]phenyl]-9-phenylcarbazole
• PubChem CID: 168768477
• Molecular Formula: C69H42N4O2
• Molecular Weight: 959.12 g/mol
• Exact Mass: 958.33
• IUPAC Name: 3-[3-[3-[9-[4-(4-dibenzofuran-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]phenyl]phenyl]-9-phenylcarbazole
• SMILES: c1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3)nc(-c3cccc4oc5ccc(-c6cccc(-c7cccc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)c7)c6)cc5c34)n2)cc1
• InChI: InChI=1S/C69H42N4O2/c1-3-14-44(15-4-1)67-70-68(45-30-28-43(29-31-45)52-32-35-56-55-23-8-10-26-62(55)75-65(56)42-52)72-69(71-67)57-24-13-27-64-66(57)59-41-51(34-37-63(59)74-64)49-19-12-17-47(39-49)46-16-11-18-48(38-46)50-33-36-61-58(40-50)54-22-7-9-25-60(54)73(61)53-20-5-2-6-21-53/h1-42H
• InChIKey: KSDQDIDQSXWUAG-UHFFFAOYSA-N
• XLogP: 18.44
• TPSA: 69.88 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	959.12
LogP ≤ 5	18.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 3-[3-[3-[9-[4-(4-dibenzofuran-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]phenyl]phenyl]-9-phenylcarbazole (CID 168768477) is 3-[3-[3-[9-[4-(4-dibenzofuran-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]phenyl]phenyl]-9-phenylcarbazole.

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

The canonical SMILES for 3-[3-[3-[9-[4-(4-dibenzofuran-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]phenyl]phenyl]-9-phenylcarbazole is c1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3)nc(-c3cccc4oc5ccc(-c6cccc(-c7cccc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)c7)c6)cc5c34)n2)cc1.

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

The InChIKey is KSDQDIDQSXWUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H42N4O2/c1-3-14-44(15-4-1)67-70-68(45-30-28-43(29-31-45)52-32-35-56-55-23-8-10-26-62(55)75-65(56)42-52)72-69(71-67)57-24-13-27-64-66(57)59-41-51(34-37-63(59)74-64)49-19-12-17-47(39-49)46-16-11-18-48(38-46)50-33-36-61-58(40-50)54-22-7-9-25-60(54)73(61)53-20-5-2-6-21-53/h1-42H.

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

3-[3-[3-[9-[4-(4-dibenzofuran-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]phenyl]phenyl]-9-phenylcarbazole has a molecular weight of 959.12 g/mol, XLogP of 18.44, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[3-[9-[4-(4-dibenzofuran-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]phenyl]phenyl]-9-phenylcarbazole is sourced from PubChem (CID 168768477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).