3-[8-[9-[4-(7-carbazol-9-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzothiophen-3-yl]-9-phenylcarbazole

C75H43N5O2S — CID 168768676

About 3-[8-[9-[4-(7-carbazol-9-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzothiophen-3-yl]-9-phenylcarbazole

3-[8-[9-[4-(7-carbazol-9-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzothiophen-3-yl]-9-phenylcarbazole (PubChem CID 168768676) has the molecular formula C75H43N5O2S and a molecular weight of 1078.27 g/mol. Its IUPAC name is 3-[8-[9-[4-(7-carbazol-9-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzothiophen-3-yl]-9-phenylcarbazole.

Molecular Properties

• Compound Name: 3-[8-[9-[4-(7-carbazol-9-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzothiophen-3-yl]-9-phenylcarbazole
• PubChem CID: 168768676
• Molecular Formula: C75H43N5O2S
• Molecular Weight: 1078.27 g/mol
• Exact Mass: 1077.31
• IUPAC Name: 3-[8-[9-[4-(7-carbazol-9-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzothiophen-3-yl]-9-phenylcarbazole
• SMILES: c1ccc(-c2nc(-c3ccc4c(c3)oc3cc(-n5c6ccccc6c6ccccc65)ccc34)nc(-c3cccc4oc5ccc(-c6ccc7sc8cc(-c9ccc%10c(c9)c9ccccc9n%10-c9ccccc9)ccc8c7c6)cc5c34)n2)cc1
• InChI: InChI=1S/C75H43N5O2S/c1-3-14-44(15-4-1)73-76-74(49-27-32-55-56-34-31-51(43-69(56)82-68(55)41-49)80-62-22-10-7-18-52(62)53-19-8-11-23-63(53)80)78-75(77-73)58-21-13-25-67-72(58)61-40-46(29-36-66(61)81-67)47-30-37-70-60(39-47)57-33-26-48(42-71(57)83-70)45-28-35-65-59(38-45)54-20-9-12-24-64(54)79(65)50-16-5-2-6-17-50/h1-43H
• InChIKey: CISMCPFCEFYOFT-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-[8-[9-[4-(7-carbazol-9-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzothiophen-3-yl]-9-phenylcarbazole?

The IUPAC name of 3-[8-[9-[4-(7-carbazol-9-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzothiophen-3-yl]-9-phenylcarbazole (CID 168768676) is 3-[8-[9-[4-(7-carbazol-9-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzothiophen-3-yl]-9-phenylcarbazole.

What is the SMILES notation for 3-[8-[9-[4-(7-carbazol-9-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzothiophen-3-yl]-9-phenylcarbazole?

The canonical SMILES for 3-[8-[9-[4-(7-carbazol-9-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzothiophen-3-yl]-9-phenylcarbazole is c1ccc(-c2nc(-c3ccc4c(c3)oc3cc(-n5c6ccccc6c6ccccc65)ccc34)nc(-c3cccc4oc5ccc(-c6ccc7sc8cc(-c9ccc%10c(c9)c9ccccc9n%10-c9ccccc9)ccc8c7c6)cc5c34)n2)cc1.

What is the InChIKey of 3-[8-[9-[4-(7-carbazol-9-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzothiophen-3-yl]-9-phenylcarbazole?

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

What are the key properties of 3-[8-[9-[4-(7-carbazol-9-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzothiophen-3-yl]-9-phenylcarbazole?

3-[8-[9-[4-(7-carbazol-9-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzothiophen-3-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-[8-[9-[4-(7-carbazol-9-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzothiophen-3-yl]-9-phenylcarbazole is sourced from PubChem (CID 168768676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).