8-[3-[3-[2-(4-phenyl-1H-imidazol-2-yl)furan-3-yl]-6-[2-(1-phenyl-1,2,4-triazol-3-yl)furan-3-yl]carbazol-9-yl]-5-[9-phenyl-6-(1-phenyl-1,2,4-triazol-3-yl)carbazol-3-yl]phenyl]-4,6,8,10,12-pentazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene

C77H47N15O2 — CID 123470350

About 8-[3-[3-[2-(4-phenyl-1H-imidazol-2-yl)furan-3-yl]-6-[2-(1-phenyl-1,2,4-triazol-3-yl)furan-3-yl]carbazol-9-yl]-5-[9-phenyl-6-(1-phenyl-1,2,4-triazol-3-yl)carbazol-3-yl]phenyl]-4,6,8,10,12-pentazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene

8-[3-[3-[2-(4-phenyl-1H-imidazol-2-yl)furan-3-yl]-6-[2-(1-phenyl-1,2,4-triazol-3-yl)furan-3-yl]carbazol-9-yl]-5-[9-phenyl-6-(1-phenyl-1,2,4-triazol-3-yl)carbazol-3-yl]phenyl]-4,6,8,10,12-pentazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene (PubChem CID 123470350) has the molecular formula C77H47N15O2 and a molecular weight of 1214.33 g/mol. Its IUPAC name is 8-[3-[3-[2-(4-phenyl-1H-imidazol-2-yl)furan-3-yl]-6-[2-(1-phenyl-1,2,4-triazol-3-yl)furan-3-yl]carbazol-9-yl]-5-[9-phenyl-6-(1-phenyl-1,2,4-triazol-3-yl)carbazol-3-yl]phenyl]-4,6,8,10,12-pentazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene.

Molecular Properties

• Compound Name: 8-[3-[3-[2-(4-phenyl-1H-imidazol-2-yl)furan-3-yl]-6-[2-(1-phenyl-1,2,4-triazol-3-yl)furan-3-yl]carbazol-9-yl]-5-[9-phenyl-6-(1-phenyl-1,2,4-triazol-3-yl)carbazol-3-yl]phenyl]-4,6,8,10,12-pentazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene
• PubChem CID: 123470350
• Molecular Formula: C77H47N15O2
• Molecular Weight: 1214.33 g/mol
• Exact Mass: 1213.40
• IUPAC Name: 8-[3-[3-[2-(4-phenyl-1H-imidazol-2-yl)furan-3-yl]-6-[2-(1-phenyl-1,2,4-triazol-3-yl)furan-3-yl]carbazol-9-yl]-5-[9-phenyl-6-(1-phenyl-1,2,4-triazol-3-yl)carbazol-3-yl]phenyl]-4,6,8,10,12-pentazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene
• SMILES: c1ccc(-c2c[nH]c(-c3occc3-c3ccc4c(c3)c3cc(-c5ccoc5-c5ncn(-c6ccccc6)n5)ccc3n4-c3cc(-c4ccc5c(c4)c4cc(-c6ncn(-c7ccccc7)n6)ccc4n5-c4ccccc4)cc(-n4c5ncncc5c5cncnc54)c3)n2)cc1
• InChI: InChI=1S/C77H47N15O2/c1-5-13-47(14-6-1)66-42-80-74(85-66)71-58(29-31-93-71)49-22-26-69-61(36-49)62-37-50(59-30-32-94-72(59)75-84-46-89(87-75)54-17-9-3-10-18-54)23-27-70(62)91(69)56-33-52(34-57(39-56)92-76-64(40-78-43-81-76)65-41-79-44-82-77(65)92)48-21-25-67-60(35-48)63-38-51(24-28-68(63)90(67)55-19-11-4-12-20-55)73-83-45-88(86-73)53-15-7-2-8-16-53/h1-46H,(H,80,85)
• InChIKey: CAJLZJSOGIPCPG-UHFFFAOYSA-N
• XLogP: 17.30
• TPSA: 182.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 16
• Rotatable Bonds: 12
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1214.33
LogP ≤ 5	17.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 8-[3-[3-[2-(4-phenyl-1H-imidazol-2-yl)furan-3-yl]-6-[2-(1-phenyl-1,2,4-triazol-3-yl)furan-3-yl]carbazol-9-yl]-5-[9-phenyl-6-(1-phenyl-1,2,4-triazol-3-yl)carbazol-3-yl]phenyl]-4,6,8,10,12-pentazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene?

The IUPAC name of 8-[3-[3-[2-(4-phenyl-1H-imidazol-2-yl)furan-3-yl]-6-[2-(1-phenyl-1,2,4-triazol-3-yl)furan-3-yl]carbazol-9-yl]-5-[9-phenyl-6-(1-phenyl-1,2,4-triazol-3-yl)carbazol-3-yl]phenyl]-4,6,8,10,12-pentazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene (CID 123470350) is 8-[3-[3-[2-(4-phenyl-1H-imidazol-2-yl)furan-3-yl]-6-[2-(1-phenyl-1,2,4-triazol-3-yl)furan-3-yl]carbazol-9-yl]-5-[9-phenyl-6-(1-phenyl-1,2,4-triazol-3-yl)carbazol-3-yl]phenyl]-4,6,8,10,12-pentazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene.

What is the SMILES notation for 8-[3-[3-[2-(4-phenyl-1H-imidazol-2-yl)furan-3-yl]-6-[2-(1-phenyl-1,2,4-triazol-3-yl)furan-3-yl]carbazol-9-yl]-5-[9-phenyl-6-(1-phenyl-1,2,4-triazol-3-yl)carbazol-3-yl]phenyl]-4,6,8,10,12-pentazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene?

The canonical SMILES for 8-[3-[3-[2-(4-phenyl-1H-imidazol-2-yl)furan-3-yl]-6-[2-(1-phenyl-1,2,4-triazol-3-yl)furan-3-yl]carbazol-9-yl]-5-[9-phenyl-6-(1-phenyl-1,2,4-triazol-3-yl)carbazol-3-yl]phenyl]-4,6,8,10,12-pentazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene is c1ccc(-c2c[nH]c(-c3occc3-c3ccc4c(c3)c3cc(-c5ccoc5-c5ncn(-c6ccccc6)n5)ccc3n4-c3cc(-c4ccc5c(c4)c4cc(-c6ncn(-c7ccccc7)n6)ccc4n5-c4ccccc4)cc(-n4c5ncncc5c5cncnc54)c3)n2)cc1.

What is the InChIKey of 8-[3-[3-[2-(4-phenyl-1H-imidazol-2-yl)furan-3-yl]-6-[2-(1-phenyl-1,2,4-triazol-3-yl)furan-3-yl]carbazol-9-yl]-5-[9-phenyl-6-(1-phenyl-1,2,4-triazol-3-yl)carbazol-3-yl]phenyl]-4,6,8,10,12-pentazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene?

The InChIKey is CAJLZJSOGIPCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C77H47N15O2/c1-5-13-47(14-6-1)66-42-80-74(85-66)71-58(29-31-93-71)49-22-26-69-61(36-49)62-37-50(59-30-32-94-72(59)75-84-46-89(87-75)54-17-9-3-10-18-54)23-27-70(62)91(69)56-33-52(34-57(39-56)92-76-64(40-78-43-81-76)65-41-79-44-82-77(65)92)48-21-25-67-60(35-48)63-38-51(24-28-68(63)90(67)55-19-11-4-12-20-55)73-83-45-88(86-73)53-15-7-2-8-16-53/h1-46H,(H,80,85).

What are the key properties of 8-[3-[3-[2-(4-phenyl-1H-imidazol-2-yl)furan-3-yl]-6-[2-(1-phenyl-1,2,4-triazol-3-yl)furan-3-yl]carbazol-9-yl]-5-[9-phenyl-6-(1-phenyl-1,2,4-triazol-3-yl)carbazol-3-yl]phenyl]-4,6,8,10,12-pentazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene?

8-[3-[3-[2-(4-phenyl-1H-imidazol-2-yl)furan-3-yl]-6-[2-(1-phenyl-1,2,4-triazol-3-yl)furan-3-yl]carbazol-9-yl]-5-[9-phenyl-6-(1-phenyl-1,2,4-triazol-3-yl)carbazol-3-yl]phenyl]-4,6,8,10,12-pentazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene has a molecular weight of 1214.33 g/mol, XLogP of 17.30, 12 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[3-[3-[2-(4-phenyl-1H-imidazol-2-yl)furan-3-yl]-6-[2-(1-phenyl-1,2,4-triazol-3-yl)furan-3-yl]carbazol-9-yl]-5-[9-phenyl-6-(1-phenyl-1,2,4-triazol-3-yl)carbazol-3-yl]phenyl]-4,6,8,10,12-pentazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene is sourced from PubChem (CID 123470350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).