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

C75H42N4O2S2 — CID 168768205

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

2-[7-[9-[4-(7-dibenzothiophen-1-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole (PubChem CID 168768205) has the molecular formula C75H42N4O2S2 and a molecular weight of 1095.32 g/mol. Its IUPAC name is 2-[7-[9-[4-(7-dibenzothiophen-1-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole.

Molecular Properties

• Compound Name: 2-[7-[9-[4-(7-dibenzothiophen-1-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole
• PubChem CID: 168768205
• Molecular Formula: C75H42N4O2S2
• Molecular Weight: 1095.32 g/mol
• Exact Mass: 1094.27
• IUPAC Name: 2-[7-[9-[4-(7-dibenzothiophen-1-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole
• SMILES: c1ccc(-c2nc(-c3ccc4c(c3)oc3cc(-c5cccc6sc7ccccc7c56)ccc34)nc(-c3cccc4sc5cc(-c6ccc7c(c6)oc6ccc(-c8ccc9c%10ccccc%10n(-c%10ccccc%10)c9c8)cc67)ccc5c34)n2)cc1
• InChI: InChI=1S/C75H42N4O2S2/c1-3-13-43(14-4-1)73-76-74(49-29-34-55-54-33-28-48(40-65(54)81-66(55)41-49)51-19-11-23-68-71(51)57-18-8-10-22-67(57)82-68)78-75(77-73)59-20-12-24-69-72(59)58-35-27-47(42-70(58)83-69)46-26-32-56-60-37-44(30-36-63(60)80-64(56)39-46)45-25-31-53-52-17-7-9-21-61(52)79(62(53)38-45)50-15-5-2-6-16-50/h1-42H
• InChIKey: IXSVCSANIVXLIH-UHFFFAOYSA-N
• XLogP: 21.51
• TPSA: 69.88 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1095.32
LogP ≤ 5	21.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 2-[7-[9-[4-(7-dibenzothiophen-1-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole (CID 168768205) is 2-[7-[9-[4-(7-dibenzothiophen-1-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole.

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

The canonical SMILES for 2-[7-[9-[4-(7-dibenzothiophen-1-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole is c1ccc(-c2nc(-c3ccc4c(c3)oc3cc(-c5cccc6sc7ccccc7c56)ccc34)nc(-c3cccc4sc5cc(-c6ccc7c(c6)oc6ccc(-c8ccc9c%10ccccc%10n(-c%10ccccc%10)c9c8)cc67)ccc5c34)n2)cc1.

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

The InChIKey is IXSVCSANIVXLIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H42N4O2S2/c1-3-13-43(14-4-1)73-76-74(49-29-34-55-54-33-28-48(40-65(54)81-66(55)41-49)51-19-11-23-68-71(51)57-18-8-10-22-67(57)82-68)78-75(77-73)59-20-12-24-69-72(59)58-35-27-47(42-70(58)83-69)46-26-32-56-60-37-44(30-36-63(60)80-64(56)39-46)45-25-31-53-52-17-7-9-21-61(52)79(62(53)38-45)50-15-5-2-6-16-50/h1-42H.

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

2-[7-[9-[4-(7-dibenzothiophen-1-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole has a molecular weight of 1095.32 g/mol, XLogP of 21.51, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[7-[9-[4-(7-dibenzothiophen-1-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole is sourced from PubChem (CID 168768205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).