3-[2-[9-[4-(8-carbazol-9-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzothiophen-4-yl]-9-phenylcarbazole

C75H43N5O2S — CID 168768714

About 3-[2-[9-[4-(8-carbazol-9-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzothiophen-4-yl]-9-phenylcarbazole

3-[2-[9-[4-(8-carbazol-9-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzothiophen-4-yl]-9-phenylcarbazole (PubChem CID 168768714) has the molecular formula C75H43N5O2S and a molecular weight of 1078.27 g/mol. Its IUPAC name is 3-[2-[9-[4-(8-carbazol-9-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzothiophen-4-yl]-9-phenylcarbazole.

Molecular Properties

• Compound Name: 3-[2-[9-[4-(8-carbazol-9-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzothiophen-4-yl]-9-phenylcarbazole
• PubChem CID: 168768714
• Molecular Formula: C75H43N5O2S
• Molecular Weight: 1078.27 g/mol
• Exact Mass: 1077.31
• IUPAC Name: 3-[2-[9-[4-(8-carbazol-9-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzothiophen-4-yl]-9-phenylcarbazole
• SMILES: c1ccc(-c2nc(-c3ccc4c(c3)oc3ccc(-n5c6ccccc6c6ccccc65)cc34)nc(-c3cccc4oc5ccc(-c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)c7sc8ccccc8c7c6)cc5c34)n2)cc1
• InChI: InChI=1S/C75H43N5O2S/c1-3-16-44(17-4-1)73-76-74(47-30-34-54-59-43-50(33-37-66(59)82-69(54)42-47)80-62-25-11-7-20-51(62)52-21-8-12-26-63(52)80)78-75(77-73)56-24-15-28-68-71(56)61-38-45(32-36-67(61)81-68)48-40-57(72-60(41-48)55-23-10-14-29-70(55)83-72)46-31-35-65-58(39-46)53-22-9-13-27-64(53)79(65)49-18-5-2-6-19-49/h1-43H
• InChIKey: XDMKTNIDVWQMNW-UHFFFAOYSA-N
• XLogP: 20.57
• TPSA: 74.81 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1078.27
LogP ≤ 5	20.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-[2-[9-[4-(8-carbazol-9-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzothiophen-4-yl]-9-phenylcarbazole?

The IUPAC name of 3-[2-[9-[4-(8-carbazol-9-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzothiophen-4-yl]-9-phenylcarbazole (CID 168768714) is 3-[2-[9-[4-(8-carbazol-9-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzothiophen-4-yl]-9-phenylcarbazole.

What is the SMILES notation for 3-[2-[9-[4-(8-carbazol-9-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzothiophen-4-yl]-9-phenylcarbazole?

The canonical SMILES for 3-[2-[9-[4-(8-carbazol-9-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzothiophen-4-yl]-9-phenylcarbazole is c1ccc(-c2nc(-c3ccc4c(c3)oc3ccc(-n5c6ccccc6c6ccccc65)cc34)nc(-c3cccc4oc5ccc(-c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)c7sc8ccccc8c7c6)cc5c34)n2)cc1.

What is the InChIKey of 3-[2-[9-[4-(8-carbazol-9-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzothiophen-4-yl]-9-phenylcarbazole?

The InChIKey is XDMKTNIDVWQMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H43N5O2S/c1-3-16-44(17-4-1)73-76-74(47-30-34-54-59-43-50(33-37-66(59)82-69(54)42-47)80-62-25-11-7-20-51(62)52-21-8-12-26-63(52)80)78-75(77-73)56-24-15-28-68-71(56)61-38-45(32-36-67(61)81-68)48-40-57(72-60(41-48)55-23-10-14-29-70(55)83-72)46-31-35-65-58(39-46)53-22-9-13-27-64(53)79(65)49-18-5-2-6-19-49/h1-43H.

What are the key properties of 3-[2-[9-[4-(8-carbazol-9-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzothiophen-4-yl]-9-phenylcarbazole?

3-[2-[9-[4-(8-carbazol-9-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzothiophen-4-yl]-9-phenylcarbazole has a molecular weight of 1078.27 g/mol, XLogP of 20.57, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[9-[4-(8-carbazol-9-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzothiophen-4-yl]-9-phenylcarbazole is sourced from PubChem (CID 168768714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).