3-[9-[4-(7-carbazol-9-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-9-phenylcarbazole

C63H37N5O2 — CID 168768747

About 3-[9-[4-(7-carbazol-9-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-9-phenylcarbazole

3-[9-[4-(7-carbazol-9-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-9-phenylcarbazole (PubChem CID 168768747) has the molecular formula C63H37N5O2 and a molecular weight of 896.02 g/mol. Its IUPAC name is 3-[9-[4-(7-carbazol-9-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-9-phenylcarbazole.

Molecular Properties

• Compound Name: 3-[9-[4-(7-carbazol-9-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-9-phenylcarbazole
• PubChem CID: 168768747
• Molecular Formula: C63H37N5O2
• Molecular Weight: 896.02 g/mol
• Exact Mass: 895.29
• IUPAC Name: 3-[9-[4-(7-carbazol-9-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-9-phenylcarbazole
• SMILES: c1ccc(-c2nc(-c3ccc4c(c3)oc3cc(-n5c6ccccc6c6ccccc65)ccc34)nc(-c3cccc4oc5c(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cccc5c34)n2)cc1
• InChI: InChI=1S/C63H37N5O2/c1-3-15-38(16-4-1)61-64-62(40-29-32-47-48-33-31-42(37-58(48)69-57(47)36-40)68-52-25-10-7-19-44(52)45-20-8-11-26-53(45)68)66-63(65-61)50-24-14-28-56-59(50)49-23-13-22-43(60(49)70-56)39-30-34-55-51(35-39)46-21-9-12-27-54(46)67(55)41-17-5-2-6-18-41/h1-37H
• InChIKey: KORIJMSVWDWYEL-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-(7-carbazol-9-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-9-phenylcarbazole?

The IUPAC name of 3-[9-[4-(7-carbazol-9-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-9-phenylcarbazole (CID 168768747) is 3-[9-[4-(7-carbazol-9-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-9-phenylcarbazole.

What is the SMILES notation for 3-[9-[4-(7-carbazol-9-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-9-phenylcarbazole?

The canonical SMILES for 3-[9-[4-(7-carbazol-9-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-9-phenylcarbazole is c1ccc(-c2nc(-c3ccc4c(c3)oc3cc(-n5c6ccccc6c6ccccc65)ccc34)nc(-c3cccc4oc5c(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cccc5c34)n2)cc1.

What is the InChIKey of 3-[9-[4-(7-carbazol-9-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-9-phenylcarbazole?

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

What are the key properties of 3-[9-[4-(7-carbazol-9-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-9-phenylcarbazole?

3-[9-[4-(7-carbazol-9-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-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-(7-carbazol-9-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-9-phenylcarbazole is sourced from PubChem (CID 168768747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).