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

C84H48N8O3 — CID 58501572

About 8-[3-[4,6-bis(1-benzofuran-5-yl)-8-[3-carbazol-9-yl-5-(5,8,10-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]-5,8,10-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-(5,8,10-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]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (PubChem CID 58501572) 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-(5,8,10-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]-5,8,10-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-(5,8,10-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]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
• PubChem CID: 58501572
• 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-(5,8,10-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]-5,8,10-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(-n6c7cnccc7c7cccnc76)c5)cc4c3c2)cc(-n2c3cnccc3c3cccnc32)c1
• InChI: InChI=1S/C84H48N8O3/c1-5-17-73-61(11-1)62-12-2-6-18-74(62)89(73)57-37-53(39-59(45-57)91-77-47-85-31-25-65(77)67-15-9-29-87-83(67)91)55-41-69(49-21-23-79-51(35-49)27-33-93-79)81-71(43-55)72-44-56(42-70(82(72)95-81)50-22-24-80-52(36-50)28-34-94-80)54-38-58(90-75-19-7-3-13-63(75)64-14-4-8-20-76(64)90)46-60(40-54)92-78-48-86-32-26-66(78)68-16-10-30-88-84(68)92/h1-48H
• InChIKey: PIOSGORCFALZCY-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-(5,8,10-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]-5,8,10-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-(5,8,10-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]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (CID 58501572) is 8-[3-[4,6-bis(1-benzofuran-5-yl)-8-[3-carbazol-9-yl-5-(5,8,10-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]-5,8,10-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-(5,8,10-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]-5,8,10-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-(5,8,10-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]-5,8,10-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(-n6c7cnccc7c7cccnc76)c5)cc4c3c2)cc(-n2c3cnccc3c3cccnc32)c1.

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

The InChIKey is PIOSGORCFALZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H48N8O3/c1-5-17-73-61(11-1)62-12-2-6-18-74(62)89(73)57-37-53(39-59(45-57)91-77-47-85-31-25-65(77)67-15-9-29-87-83(67)91)55-41-69(49-21-23-79-51(35-49)27-33-93-79)81-71(43-55)72-44-56(42-70(82(72)95-81)50-22-24-80-52(36-50)28-34-94-80)54-38-58(90-75-19-7-3-13-63(75)64-14-4-8-20-76(64)90)46-60(40-54)92-78-48-86-32-26-66(78)68-16-10-30-88-84(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-(5,8,10-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]-5,8,10-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-(5,8,10-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]-5,8,10-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-(5,8,10-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]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is sourced from PubChem (CID 58501572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).