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

C63H37N5O2 — CID 168767917

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

3-[9-[4-dibenzofuran-3-yl-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole (PubChem CID 168767917) has the molecular formula C63H37N5O2 and a molecular weight of 896.02 g/mol. Its IUPAC name is 3-[9-[4-dibenzofuran-3-yl-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole.

Molecular Properties

• Compound Name: 3-[9-[4-dibenzofuran-3-yl-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole
• PubChem CID: 168767917
• Molecular Formula: C63H37N5O2
• Molecular Weight: 896.02 g/mol
• Exact Mass: 895.29
• IUPAC Name: 3-[9-[4-dibenzofuran-3-yl-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole
• SMILES: c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-c3cccc4oc5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5c34)n2)cc1
• InChI: InChI=1S/C63H37N5O2/c1-3-14-38(15-4-1)39-27-32-55-50(34-39)45-19-8-11-23-53(45)68(55)63-65-61(42-26-30-47-46-20-9-12-24-56(46)70-59(47)37-42)64-62(66-63)48-21-13-25-58-60(48)51-36-41(29-33-57(51)69-58)40-28-31-54-49(35-40)44-18-7-10-22-52(44)67(54)43-16-5-2-6-17-43/h1-37H
• InChIKey: JRFQIJKNYOZPRC-UHFFFAOYSA-N
• XLogP: 16.53
• TPSA: 74.81 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	896.02
LogP ≤ 5	16.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 3-[9-[4-dibenzofuran-3-yl-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole (CID 168767917) is 3-[9-[4-dibenzofuran-3-yl-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole.

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

The canonical SMILES for 3-[9-[4-dibenzofuran-3-yl-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole is c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-c3cccc4oc5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5c34)n2)cc1.

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

The InChIKey is JRFQIJKNYOZPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H37N5O2/c1-3-14-38(15-4-1)39-27-32-55-50(34-39)45-19-8-11-23-53(45)68(55)63-65-61(42-26-30-47-46-20-9-12-24-56(46)70-59(47)37-42)64-62(66-63)48-21-13-25-58-60(48)51-36-41(29-33-57(51)69-58)40-28-31-54-49(35-40)44-18-7-10-22-52(44)67(54)43-16-5-2-6-17-43/h1-37H.

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

3-[9-[4-dibenzofuran-3-yl-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole has a molecular weight of 896.02 g/mol, XLogP of 16.53, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[9-[4-dibenzofuran-3-yl-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole is sourced from PubChem (CID 168767917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).