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

C69H40N4O2S — CID 168768814

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

3-[9-[9-[4-(2-dibenzothiophen-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole (PubChem CID 168768814) has the molecular formula C69H40N4O2S and a molecular weight of 989.17 g/mol. Its IUPAC name is 3-[9-[9-[4-(2-dibenzothiophen-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole.

Molecular Properties

• Compound Name: 3-[9-[9-[4-(2-dibenzothiophen-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole
• PubChem CID: 168768814
• Molecular Formula: C69H40N4O2S
• Molecular Weight: 989.17 g/mol
• Exact Mass: 988.29
• IUPAC Name: 3-[9-[9-[4-(2-dibenzothiophen-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole
• SMILES: c1ccc(-c2nc(-c3ccccc3-c3cccc4sc5ccccc5c34)nc(-c3cccc4oc5ccc(-c6cccc7oc8ccc(-c9ccc%10c(c9)c9ccccc9n%10-c9ccccc9)cc8c67)cc5c34)n2)cc1
• InChI: InChI=1S/C69H40N4O2S/c1-3-16-41(17-4-1)67-70-68(50-22-8-7-20-47(50)49-25-15-31-63-66(49)51-23-10-12-30-62(51)76-63)72-69(71-67)52-26-14-29-61-65(52)55-40-44(34-37-59(55)75-61)46-24-13-28-60-64(46)54-39-43(33-36-58(54)74-60)42-32-35-57-53(38-42)48-21-9-11-27-56(48)73(57)45-18-5-2-6-19-45/h1-40H
• InChIKey: ILUHLFSFBRQQBO-UHFFFAOYSA-N
• XLogP: 19.14
• TPSA: 69.88 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	989.17
LogP ≤ 5	19.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 3-[9-[9-[4-(2-dibenzothiophen-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole (CID 168768814) is 3-[9-[9-[4-(2-dibenzothiophen-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole.

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

The canonical SMILES for 3-[9-[9-[4-(2-dibenzothiophen-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole is c1ccc(-c2nc(-c3ccccc3-c3cccc4sc5ccccc5c34)nc(-c3cccc4oc5ccc(-c6cccc7oc8ccc(-c9ccc%10c(c9)c9ccccc9n%10-c9ccccc9)cc8c67)cc5c34)n2)cc1.

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

The InChIKey is ILUHLFSFBRQQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H40N4O2S/c1-3-16-41(17-4-1)67-70-68(50-22-8-7-20-47(50)49-25-15-31-63-66(49)51-23-10-12-30-62(51)76-63)72-69(71-67)52-26-14-29-61-65(52)55-40-44(34-37-59(55)75-61)46-24-13-28-60-64(46)54-39-43(33-36-58(54)74-60)42-32-35-57-53(38-42)48-21-9-11-27-56(48)73(57)45-18-5-2-6-19-45/h1-40H.

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

3-[9-[9-[4-(2-dibenzothiophen-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole has a molecular weight of 989.17 g/mol, XLogP of 19.14, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[9-[9-[4-(2-dibenzothiophen-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole is sourced from PubChem (CID 168768814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).