8-[3-[4,6-bis(1-benzofuran-5-yl)-8-[3-carbazol-9-yl-5-(6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]dibenzofuran-2-yl]-5-carbazol-9-ylphenyl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

C84H48N8O3 — CID 121486315

About 8-[3-[4,6-bis(1-benzofuran-5-yl)-8-[3-carbazol-9-yl-5-(6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]dibenzofuran-2-yl]-5-carbazol-9-ylphenyl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

8-[3-[4,6-bis(1-benzofuran-5-yl)-8-[3-carbazol-9-yl-5-(6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]dibenzofuran-2-yl]-5-carbazol-9-ylphenyl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (PubChem CID 121486315) has the molecular formula C84H48N8O3 and a molecular weight of 1217.36 g/mol. Its IUPAC name is 8-[3-[4,6-bis(1-benzofuran-5-yl)-8-[3-carbazol-9-yl-5-(6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]dibenzofuran-2-yl]-5-carbazol-9-ylphenyl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

Molecular Properties

• Compound Name: 8-[3-[4,6-bis(1-benzofuran-5-yl)-8-[3-carbazol-9-yl-5-(6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]dibenzofuran-2-yl]-5-carbazol-9-ylphenyl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
• PubChem CID: 121486315
• Molecular Formula: C84H48N8O3
• Molecular Weight: 1217.36 g/mol
• Exact Mass: 1216.38
• IUPAC Name: 8-[3-[4,6-bis(1-benzofuran-5-yl)-8-[3-carbazol-9-yl-5-(6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]dibenzofuran-2-yl]-5-carbazol-9-ylphenyl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
• SMILES: c1ccc2c(c1)c1ccccc1n2-c1cc(-c2cc(-c3ccc4occc4c3)c3oc4c(-c5ccc6occc6c5)cc(-c5cc(-n6c7ccccc7c7ccccc76)cc(-n6c7ncccc7c7cccnc76)c5)cc4c3c2)cc(-n2c3ncccc3c3cccnc32)c1
• InChI: InChI=1S/C84H48N8O3/c1-5-21-73-61(13-1)62-14-2-6-22-74(62)89(73)57-39-53(41-59(47-57)91-81-65(17-9-31-85-81)66-18-10-32-86-82(66)91)55-43-69(49-25-27-77-51(37-49)29-35-93-77)79-71(45-55)72-46-56(44-70(80(72)95-79)50-26-28-78-52(38-50)30-36-94-78)54-40-58(90-75-23-7-3-15-63(75)64-16-4-8-24-76(64)90)48-60(42-54)92-83-67(19-11-33-87-83)68-20-12-34-88-84(68)92/h1-48H
• InChIKey: SIMNSQCNRKSTJY-UHFFFAOYSA-N
• XLogP: 21.71
• TPSA: 110.70 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1217.36
LogP ≤ 5	21.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 8-[3-[4,6-bis(1-benzofuran-5-yl)-8-[3-carbazol-9-yl-5-(6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]dibenzofuran-2-yl]-5-carbazol-9-ylphenyl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?

The IUPAC name of 8-[3-[4,6-bis(1-benzofuran-5-yl)-8-[3-carbazol-9-yl-5-(6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]dibenzofuran-2-yl]-5-carbazol-9-ylphenyl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (CID 121486315) is 8-[3-[4,6-bis(1-benzofuran-5-yl)-8-[3-carbazol-9-yl-5-(6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]dibenzofuran-2-yl]-5-carbazol-9-ylphenyl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

What is the SMILES notation for 8-[3-[4,6-bis(1-benzofuran-5-yl)-8-[3-carbazol-9-yl-5-(6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]dibenzofuran-2-yl]-5-carbazol-9-ylphenyl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?

The canonical SMILES for 8-[3-[4,6-bis(1-benzofuran-5-yl)-8-[3-carbazol-9-yl-5-(6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]dibenzofuran-2-yl]-5-carbazol-9-ylphenyl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is c1ccc2c(c1)c1ccccc1n2-c1cc(-c2cc(-c3ccc4occc4c3)c3oc4c(-c5ccc6occc6c5)cc(-c5cc(-n6c7ccccc7c7ccccc76)cc(-n6c7ncccc7c7cccnc76)c5)cc4c3c2)cc(-n2c3ncccc3c3cccnc32)c1.

What is the InChIKey of 8-[3-[4,6-bis(1-benzofuran-5-yl)-8-[3-carbazol-9-yl-5-(6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]dibenzofuran-2-yl]-5-carbazol-9-ylphenyl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?

The InChIKey is SIMNSQCNRKSTJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H48N8O3/c1-5-21-73-61(13-1)62-14-2-6-22-74(62)89(73)57-39-53(41-59(47-57)91-81-65(17-9-31-85-81)66-18-10-32-86-82(66)91)55-43-69(49-25-27-77-51(37-49)29-35-93-77)79-71(45-55)72-46-56(44-70(80(72)95-79)50-26-28-78-52(38-50)30-36-94-78)54-40-58(90-75-23-7-3-15-63(75)64-16-4-8-24-76(64)90)48-60(42-54)92-83-67(19-11-33-87-83)68-20-12-34-88-84(68)92/h1-48H.

What are the key properties of 8-[3-[4,6-bis(1-benzofuran-5-yl)-8-[3-carbazol-9-yl-5-(6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]dibenzofuran-2-yl]-5-carbazol-9-ylphenyl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?

8-[3-[4,6-bis(1-benzofuran-5-yl)-8-[3-carbazol-9-yl-5-(6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]dibenzofuran-2-yl]-5-carbazol-9-ylphenyl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene has a molecular weight of 1217.36 g/mol, XLogP of 21.71, 8 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[3-[4,6-bis(1-benzofuran-5-yl)-8-[3-carbazol-9-yl-5-(6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]dibenzofuran-2-yl]-5-carbazol-9-ylphenyl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is sourced from PubChem (CID 121486315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).