2-dibenzofuran-1-yl-4-[3-[4-(4-isocyanophenyl)phenyl]dibenzofuran-4-yl]-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-[3-[4-(4-isocyanophenyl)phenyl]dibenzofuran-4-yl]-6-phenyl-1,3,5-triazine;2-dibenzofuran-4-yl-4-[3-[4-(4-isocyanophenyl)phenyl]dibenzofuran-4-yl]-6-phenyl-1,3,5-triazine;4-[4-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]benzonitrile

C184H104N16O8 — CID 158117758

About 2-dibenzofuran-1-yl-4-[3-[4-(4-isocyanophenyl)phenyl]dibenzofuran-4-yl]-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-[3-[4-(4-isocyanophenyl)phenyl]dibenzofuran-4-yl]-6-phenyl-1,3,5-triazine;2-dibenzofuran-4-yl-4-[3-[4-(4-isocyanophenyl)phenyl]dibenzofuran-4-yl]-6-phenyl-1,3,5-triazine;4-[4-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]benzonitrile

2-dibenzofuran-1-yl-4-[3-[4-(4-isocyanophenyl)phenyl]dibenzofuran-4-yl]-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-[3-[4-(4-isocyanophenyl)phenyl]dibenzofuran-4-yl]-6-phenyl-1,3,5-triazine;2-dibenzofuran-4-yl-4-[3-[4-(4-isocyanophenyl)phenyl]dibenzofuran-4-yl]-6-phenyl-1,3,5-triazine;4-[4-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]benzonitrile (PubChem CID 158117758) has the molecular formula C184H104N16O8 and a molecular weight of 2666.96 g/mol. Its IUPAC name is 2-dibenzofuran-1-yl-4-[3-[4-(4-isocyanophenyl)phenyl]dibenzofuran-4-yl]-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-[3-[4-(4-isocyanophenyl)phenyl]dibenzofuran-4-yl]-6-phenyl-1,3,5-triazine;2-dibenzofuran-4-yl-4-[3-[4-(4-isocyanophenyl)phenyl]dibenzofuran-4-yl]-6-phenyl-1,3,5-triazine;4-[4-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]benzonitrile.

Molecular Properties

• Compound Name: 2-dibenzofuran-1-yl-4-[3-[4-(4-isocyanophenyl)phenyl]dibenzofuran-4-yl]-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-[3-[4-(4-isocyanophenyl)phenyl]dibenzofuran-4-yl]-6-phenyl-1,3,5-triazine;2-dibenzofuran-4-yl-4-[3-[4-(4-isocyanophenyl)phenyl]dibenzofuran-4-yl]-6-phenyl-1,3,5-triazine;4-[4-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]benzonitrile
• PubChem CID: 158117758
• Molecular Formula: C184H104N16O8
• Molecular Weight: 2666.96 g/mol
• Exact Mass: 2664.82
• IUPAC Name: 2-dibenzofuran-1-yl-4-[3-[4-(4-isocyanophenyl)phenyl]dibenzofuran-4-yl]-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-[3-[4-(4-isocyanophenyl)phenyl]dibenzofuran-4-yl]-6-phenyl-1,3,5-triazine;2-dibenzofuran-4-yl-4-[3-[4-(4-isocyanophenyl)phenyl]dibenzofuran-4-yl]-6-phenyl-1,3,5-triazine;4-[4-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]benzonitrile
• SMILES: N#Cc1ccc(-c2ccc(-c3ccc4c(oc5ccccc54)c3-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)oc4ccccc45)n3)cc2)cc1.[C-]#[N+]c1ccc(-c2ccc(-c3ccc4c(oc5ccccc54)c3-c3nc(-c4ccccc4)nc(-c4ccc5oc6ccccc6c5c4)n3)cc2)cc1.[C-]#[N+]c1ccc(-c2ccc(-c3ccc4c(oc5ccccc54)c3-c3nc(-c4ccccc4)nc(-c4cccc5c4oc4ccccc45)n3)cc2)cc1.[C-]#[N+]c1ccc(-c2ccc(-c3ccc4c(oc5ccccc54)c3-c3nc(-c4ccccc4)nc(-c4cccc5oc6ccccc6c45)n3)cc2)cc1
• InChI: InChI=1S/4C46H26N4O2/c1-47-33-22-19-29(20-23-33)28-15-17-30(18-16-28)34-24-25-37-35-11-5-8-14-40(35)52-43(37)42(34)46-49-44(31-9-3-2-4-10-31)48-45(50-46)32-21-26-41-38(27-32)36-12-6-7-13-39(36)51-41;1-47-32-24-22-29(23-25-32)28-18-20-30(21-19-28)33-26-27-37-35-13-6-8-17-40(35)52-43(37)41(33)46-49-44(31-10-3-2-4-11-31)48-45(50-46)38-15-9-14-36-34-12-5-7-16-39(34)51-42(36)38;1-47-32-24-22-29(23-25-32)28-18-20-30(21-19-28)33-26-27-35-34-12-5-7-15-38(34)52-43(35)42(33)46-49-44(31-10-3-2-4-11-31)48-45(50-46)37-14-9-17-40-41(37)36-13-6-8-16-39(36)51-40;47-27-28-14-16-29(17-15-28)30-18-20-31(21-19-30)34-24-25-38-36-11-5-7-13-40(36)52-43(38)42(34)46-49-44(32-8-2-1-3-9-32)48-45(50-46)33-22-23-37-35-10-4-6-12-39(35)51-41(37)26-33/h3*2-27H;1-26H
• InChIKey: FRFLVQULDZNTSI-UHFFFAOYSA-N
• XLogP: 49.55
• TPSA: 296.67 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 20
• Heavy Atoms: 208
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2666.96
LogP ≤ 5	49.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-1-yl-4-[3-[4-(4-isocyanophenyl)phenyl]dibenzofuran-4-yl]-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-[3-[4-(4-isocyanophenyl)phenyl]dibenzofuran-4-yl]-6-phenyl-1,3,5-triazine;2-dibenzofuran-4-yl-4-[3-[4-(4-isocyanophenyl)phenyl]dibenzofuran-4-yl]-6-phenyl-1,3,5-triazine;4-[4-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]benzonitrile?

The IUPAC name of 2-dibenzofuran-1-yl-4-[3-[4-(4-isocyanophenyl)phenyl]dibenzofuran-4-yl]-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-[3-[4-(4-isocyanophenyl)phenyl]dibenzofuran-4-yl]-6-phenyl-1,3,5-triazine;2-dibenzofuran-4-yl-4-[3-[4-(4-isocyanophenyl)phenyl]dibenzofuran-4-yl]-6-phenyl-1,3,5-triazine;4-[4-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]benzonitrile (CID 158117758) is 2-dibenzofuran-1-yl-4-[3-[4-(4-isocyanophenyl)phenyl]dibenzofuran-4-yl]-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-[3-[4-(4-isocyanophenyl)phenyl]dibenzofuran-4-yl]-6-phenyl-1,3,5-triazine;2-dibenzofuran-4-yl-4-[3-[4-(4-isocyanophenyl)phenyl]dibenzofuran-4-yl]-6-phenyl-1,3,5-triazine;4-[4-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]benzonitrile.

What is the SMILES notation for 2-dibenzofuran-1-yl-4-[3-[4-(4-isocyanophenyl)phenyl]dibenzofuran-4-yl]-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-[3-[4-(4-isocyanophenyl)phenyl]dibenzofuran-4-yl]-6-phenyl-1,3,5-triazine;2-dibenzofuran-4-yl-4-[3-[4-(4-isocyanophenyl)phenyl]dibenzofuran-4-yl]-6-phenyl-1,3,5-triazine;4-[4-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]benzonitrile?

The canonical SMILES for 2-dibenzofuran-1-yl-4-[3-[4-(4-isocyanophenyl)phenyl]dibenzofuran-4-yl]-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-[3-[4-(4-isocyanophenyl)phenyl]dibenzofuran-4-yl]-6-phenyl-1,3,5-triazine;2-dibenzofuran-4-yl-4-[3-[4-(4-isocyanophenyl)phenyl]dibenzofuran-4-yl]-6-phenyl-1,3,5-triazine;4-[4-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]benzonitrile is N#Cc1ccc(-c2ccc(-c3ccc4c(oc5ccccc54)c3-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)oc4ccccc45)n3)cc2)cc1.[C-]#[N+]c1ccc(-c2ccc(-c3ccc4c(oc5ccccc54)c3-c3nc(-c4ccccc4)nc(-c4ccc5oc6ccccc6c5c4)n3)cc2)cc1.[C-]#[N+]c1ccc(-c2ccc(-c3ccc4c(oc5ccccc54)c3-c3nc(-c4ccccc4)nc(-c4cccc5c4oc4ccccc45)n3)cc2)cc1.[C-]#[N+]c1ccc(-c2ccc(-c3ccc4c(oc5ccccc54)c3-c3nc(-c4ccccc4)nc(-c4cccc5oc6ccccc6c45)n3)cc2)cc1.

What is the InChIKey of 2-dibenzofuran-1-yl-4-[3-[4-(4-isocyanophenyl)phenyl]dibenzofuran-4-yl]-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-[3-[4-(4-isocyanophenyl)phenyl]dibenzofuran-4-yl]-6-phenyl-1,3,5-triazine;2-dibenzofuran-4-yl-4-[3-[4-(4-isocyanophenyl)phenyl]dibenzofuran-4-yl]-6-phenyl-1,3,5-triazine;4-[4-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]benzonitrile?

The InChIKey is FRFLVQULDZNTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/4C46H26N4O2/c1-47-33-22-19-29(20-23-33)28-15-17-30(18-16-28)34-24-25-37-35-11-5-8-14-40(35)52-43(37)42(34)46-49-44(31-9-3-2-4-10-31)48-45(50-46)32-21-26-41-38(27-32)36-12-6-7-13-39(36)51-41;1-47-32-24-22-29(23-25-32)28-18-20-30(21-19-28)33-26-27-37-35-13-6-8-17-40(35)52-43(37)41(33)46-49-44(31-10-3-2-4-11-31)48-45(50-46)38-15-9-14-36-34-12-5-7-16-39(34)51-42(36)38;1-47-32-24-22-29(23-25-32)28-18-20-30(21-19-28)33-26-27-35-34-12-5-7-15-38(34)52-43(35)42(33)46-49-44(31-10-3-2-4-11-31)48-45(50-46)37-14-9-17-40-41(37)36-13-6-8-16-39(36)51-40;47-27-28-14-16-29(17-15-28)30-18-20-31(21-19-30)34-24-25-38-36-11-5-7-13-40(36)52-43(38)42(34)46-49-44(32-8-2-1-3-9-32)48-45(50-46)33-22-23-37-35-10-4-6-12-39(35)51-41(37)26-33/h3*2-27H;1-26H.

What are the key properties of 2-dibenzofuran-1-yl-4-[3-[4-(4-isocyanophenyl)phenyl]dibenzofuran-4-yl]-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-[3-[4-(4-isocyanophenyl)phenyl]dibenzofuran-4-yl]-6-phenyl-1,3,5-triazine;2-dibenzofuran-4-yl-4-[3-[4-(4-isocyanophenyl)phenyl]dibenzofuran-4-yl]-6-phenyl-1,3,5-triazine;4-[4-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]benzonitrile?

2-dibenzofuran-1-yl-4-[3-[4-(4-isocyanophenyl)phenyl]dibenzofuran-4-yl]-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-[3-[4-(4-isocyanophenyl)phenyl]dibenzofuran-4-yl]-6-phenyl-1,3,5-triazine;2-dibenzofuran-4-yl-4-[3-[4-(4-isocyanophenyl)phenyl]dibenzofuran-4-yl]-6-phenyl-1,3,5-triazine;4-[4-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]benzonitrile has a molecular weight of 2666.96 g/mol, XLogP of 49.55, 20 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2-dibenzofuran-1-yl-4-[3-[4-(4-isocyanophenyl)phenyl]dibenzofuran-4-yl]-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-[3-[4-(4-isocyanophenyl)phenyl]dibenzofuran-4-yl]-6-phenyl-1,3,5-triazine;2-dibenzofuran-4-yl-4-[3-[4-(4-isocyanophenyl)phenyl]dibenzofuran-4-yl]-6-phenyl-1,3,5-triazine;4-[4-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]benzonitrile is sourced from PubChem (CID 158117758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).