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

C180H106N18O4 — CID 158961174

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

2-[3-[4-(2-isocyanophenyl)phenyl]dibenzofuran-4-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;5-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzene-1,3-dicarbonitrile;5-[4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]benzene-1,3-dicarbonitrile;3-[4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]benzonitrile (PubChem CID 158961174) has the molecular formula C180H106N18O4 and a molecular weight of 2584.95 g/mol. Its IUPAC name is 2-[3-[4-(2-isocyanophenyl)phenyl]dibenzofuran-4-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;5-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzene-1,3-dicarbonitrile;5-[4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]benzene-1,3-dicarbonitrile;3-[4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]benzonitrile.

Molecular Properties

• Compound Name: 2-[3-[4-(2-isocyanophenyl)phenyl]dibenzofuran-4-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;5-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzene-1,3-dicarbonitrile;5-[4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]benzene-1,3-dicarbonitrile;3-[4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]benzonitrile
• PubChem CID: 158961174
• Molecular Formula: C180H106N18O4
• Molecular Weight: 2584.95 g/mol
• Exact Mass: 2582.86
• IUPAC Name: 2-[3-[4-(2-isocyanophenyl)phenyl]dibenzofuran-4-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;5-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzene-1,3-dicarbonitrile;5-[4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]benzene-1,3-dicarbonitrile;3-[4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]benzonitrile
• SMILES: N#Cc1cc(C#N)cc(-c2ccc(-c3ccc4c(oc5ccccc54)c3-c3nc(-c4ccccc4)nc(-c4cccc(-c5ccccc5)c4)n3)cc2)c1.N#Cc1cc(C#N)cc(-c2ccc3c(oc4ccccc43)c2-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccccc4)c3)n2)c1.N#Cc1cccc(-c2ccc(-c3ccc4c(oc5ccccc54)c3-c3nc(-c4ccccc4)nc(-c4cccc(-c5ccccc5)c4)n3)cc2)c1.[C-]#[N+]c1ccccc1-c1ccc(-c2ccc3c(oc4ccccc43)c2-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccccc4)c3)n2)cc1
• InChI: InChI=1S/C47H27N5O.2C46H28N4O.C41H23N5O/c48-28-30-24-31(29-49)26-38(25-30)33-18-20-34(21-19-33)39-22-23-41-40-16-7-8-17-42(40)53-44(41)43(39)47-51-45(35-12-5-2-6-13-35)50-46(52-47)37-15-9-14-36(27-37)32-10-3-1-4-11-32;1-47-40-21-10-8-19-36(40)31-23-25-32(26-24-31)37-27-28-39-38-20-9-11-22-41(38)51-43(39)42(37)46-49-44(33-15-6-3-7-16-33)48-45(50-46)35-18-12-17-34(29-35)30-13-4-2-5-14-30;47-29-30-11-9-16-35(27-30)32-21-23-33(24-22-32)38-25-26-40-39-19-7-8-20-41(39)51-43(40)42(38)46-49-44(34-14-5-2-6-15-34)48-45(50-46)37-18-10-17-36(28-37)31-12-3-1-4-13-31;42-24-26-20-27(25-43)22-32(21-26)33-18-19-35-34-16-7-8-17-36(34)47-38(35)37(33)41-45-39(29-12-5-2-6-13-29)44-40(46-41)31-15-9-14-30(23-31)28-10-3-1-4-11-28/h1-27H;2-29H;1-28H;1-23H
• InChIKey: JMQJSZYBIWTVKR-UHFFFAOYSA-N
• XLogP: 45.33
• TPSA: 330.55 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 23
• Heavy Atoms: 202
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2584.95
LogP ≤ 5	45.33
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-[3-[4-(2-isocyanophenyl)phenyl]dibenzofuran-4-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;5-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzene-1,3-dicarbonitrile;5-[4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]benzene-1,3-dicarbonitrile;3-[4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]benzonitrile?

The IUPAC name of 2-[3-[4-(2-isocyanophenyl)phenyl]dibenzofuran-4-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;5-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzene-1,3-dicarbonitrile;5-[4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]benzene-1,3-dicarbonitrile;3-[4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]benzonitrile (CID 158961174) is 2-[3-[4-(2-isocyanophenyl)phenyl]dibenzofuran-4-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;5-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzene-1,3-dicarbonitrile;5-[4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]benzene-1,3-dicarbonitrile;3-[4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]benzonitrile.

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

The canonical SMILES for 2-[3-[4-(2-isocyanophenyl)phenyl]dibenzofuran-4-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;5-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzene-1,3-dicarbonitrile;5-[4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]benzene-1,3-dicarbonitrile;3-[4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]benzonitrile is N#Cc1cc(C#N)cc(-c2ccc(-c3ccc4c(oc5ccccc54)c3-c3nc(-c4ccccc4)nc(-c4cccc(-c5ccccc5)c4)n3)cc2)c1.N#Cc1cc(C#N)cc(-c2ccc3c(oc4ccccc43)c2-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccccc4)c3)n2)c1.N#Cc1cccc(-c2ccc(-c3ccc4c(oc5ccccc54)c3-c3nc(-c4ccccc4)nc(-c4cccc(-c5ccccc5)c4)n3)cc2)c1.[C-]#[N+]c1ccccc1-c1ccc(-c2ccc3c(oc4ccccc43)c2-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccccc4)c3)n2)cc1.

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

The InChIKey is JMQJSZYBIWTVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H27N5O.2C46H28N4O.C41H23N5O/c48-28-30-24-31(29-49)26-38(25-30)33-18-20-34(21-19-33)39-22-23-41-40-16-7-8-17-42(40)53-44(41)43(39)47-51-45(35-12-5-2-6-13-35)50-46(52-47)37-15-9-14-36(27-37)32-10-3-1-4-11-32;1-47-40-21-10-8-19-36(40)31-23-25-32(26-24-31)37-27-28-39-38-20-9-11-22-41(38)51-43(39)42(37)46-49-44(33-15-6-3-7-16-33)48-45(50-46)35-18-12-17-34(29-35)30-13-4-2-5-14-30;47-29-30-11-9-16-35(27-30)32-21-23-33(24-22-32)38-25-26-40-39-19-7-8-20-41(39)51-43(40)42(38)46-49-44(34-14-5-2-6-15-34)48-45(50-46)37-18-10-17-36(28-37)31-12-3-1-4-13-31;42-24-26-20-27(25-43)22-32(21-26)33-18-19-35-34-16-7-8-17-36(34)47-38(35)37(33)41-45-39(29-12-5-2-6-13-29)44-40(46-41)31-15-9-14-30(23-31)28-10-3-1-4-11-28/h1-27H;2-29H;1-28H;1-23H.

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

2-[3-[4-(2-isocyanophenyl)phenyl]dibenzofuran-4-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;5-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzene-1,3-dicarbonitrile;5-[4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]benzene-1,3-dicarbonitrile;3-[4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]benzonitrile has a molecular weight of 2584.95 g/mol, XLogP of 45.33, 23 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[4-(2-isocyanophenyl)phenyl]dibenzofuran-4-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;5-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzene-1,3-dicarbonitrile;5-[4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]benzene-1,3-dicarbonitrile;3-[4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]benzonitrile is sourced from PubChem (CID 158961174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).