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

C75H43N5O2S — CID 168768603

About 3-[8-[9-[4-(7-carbazol-9-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzothiophen-1-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-1-yl]-9-phenylcarbazole (PubChem CID 168768603) 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-1-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-1-yl]-9-phenylcarbazole
• PubChem CID: 168768603
• 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-1-yl]-9-phenylcarbazole
• SMILES: c1ccc(-c2nc(-c3ccc4c(c3)oc3cc(-n5c6ccccc6c6ccccc65)ccc34)nc(-c3cccc4oc5ccc(-c6ccc7sc8cccc(-c9ccc%10c(c9)c9ccccc9n%10-c9ccccc9)c8c7c6)cc5c34)n2)cc1
• InChI: InChI=1S/C75H43N5O2S/c1-3-15-44(16-4-1)73-76-74(48-29-34-55-56-35-33-50(43-68(56)82-67(55)42-48)80-61-24-10-7-19-52(61)53-20-8-11-25-62(53)80)78-75(77-73)57-23-13-27-66-71(57)59-39-45(31-37-65(59)81-66)46-32-38-69-60(40-46)72-51(22-14-28-70(72)83-69)47-30-36-64-58(41-47)54-21-9-12-26-63(54)79(64)49-17-5-2-6-18-49/h1-43H
• InChIKey: PEGAXOFMHBUNNY-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-1-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-1-yl]-9-phenylcarbazole (CID 168768603) is 3-[8-[9-[4-(7-carbazol-9-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzothiophen-1-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-1-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-1-yl]-9-phenylcarbazole is c1ccc(-c2nc(-c3ccc4c(c3)oc3cc(-n5c6ccccc6c6ccccc65)ccc34)nc(-c3cccc4oc5ccc(-c6ccc7sc8cccc(-c9ccc%10c(c9)c9ccccc9n%10-c9ccccc9)c8c7c6)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-1-yl]-9-phenylcarbazole?

The InChIKey is PEGAXOFMHBUNNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H43N5O2S/c1-3-15-44(16-4-1)73-76-74(48-29-34-55-56-35-33-50(43-68(56)82-67(55)42-48)80-61-24-10-7-19-52(61)53-20-8-11-25-62(53)80)78-75(77-73)57-23-13-27-66-71(57)59-39-45(31-37-65(59)81-66)46-32-38-69-60(40-46)72-51(22-14-28-70(72)83-69)47-30-36-64-58(41-47)54-21-9-12-26-63(54)79(64)49-17-5-2-6-18-49/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-1-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-1-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-1-yl]-9-phenylcarbazole is sourced from PubChem (CID 168768603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).