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

C46H26N4O2 — CID 139381456

IUPAC4-[4-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]benzonitrile
SMILESN#Cc1ccc(-c2ccc(-c3ccc4c(oc5ccccc54)c3-c3nc(-c4ccccc4)nc(-c4cccc5c4oc4ccccc45)n3)cc2)cc1
InChIInChI=1S/C46H26N4O2/c47-27-28-17-19-29(20-18-28)30-21-23-31(24-22-30)33-25-26-37-35-12-5-7-16-40(35)52-43(37)41(33)46-49-44(32-9-2-1-3-10-32)48-45(50-46)38-14-8-13-36-34-11-4-6-15-39(34)51-42(36)38/h1-26H
InChIKeyOTEAYRKIWGGRKH-UHFFFAOYSA-N
MW666.74 g/mol
LogP11.88
Rot. Bonds5

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

4-[4-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]benzonitrile (PubChem CID 139381456) has the molecular formula C46H26N4O2 and a molecular weight of 666.74 g/mol. Its IUPAC name is 4-[4-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]benzonitrile.

Molecular Properties

Compound Name4-[4-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]benzonitrile
PubChem CID139381456
Molecular FormulaC46H26N4O2
Molecular Weight666.74 g/mol
Exact Mass666.21
IUPAC Name4-[4-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]benzonitrile
SMILESN#Cc1ccc(-c2ccc(-c3ccc4c(oc5ccccc54)c3-c3nc(-c4ccccc4)nc(-c4cccc5c4oc4ccccc45)n3)cc2)cc1
InChIInChI=1S/C46H26N4O2/c47-27-28-17-19-29(20-18-28)30-21-23-31(24-22-30)33-25-26-37-35-12-5-7-16-40(35)52-43(37)41(33)46-49-44(32-9-2-1-3-10-32)48-45(50-46)38-14-8-13-36-34-11-4-6-15-39(34)51-42(36)38/h1-26H
InChIKeyOTEAYRKIWGGRKH-UHFFFAOYSA-N
XLogP11.88
TPSA88.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.74
LogP ≤ 511.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]benzonitrile
CID 139381584
3-[4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]benzonitrile
CID 139381434
3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzonitrile
CID 139381460
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
4-[4-[4-[4-[8-[3-[4-[4-[3-(4-cyanophenyl)dibenzofuran-4-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylfluoren-4-yl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]benzonitrile
CID 139381615
2-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzonitrile
CID 139381776
4-[4-[4-(5-dibenzofuran-4-yl-3,6-diphenylpyrazin-2-yl)phenyl]phenyl]benzonitrile
CID 156509347
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
2-dibenzofuran-4-yl-4-methyl-6-(3-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-4-yl-4-methyl-6-(4-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-4-yl-4-methyl-6-phenyl-1,3,5-triazine;4-[4-methyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]benzonitrile
CID 162023345
2-dibenzofuran-4-yl-4-phenyl-6-[4-[4-(4-phenylnaphthalen-1-yl)phenyl]naphthalen-1-yl]-1,3,5-triazine
CID 155481121
2-dibenzofuran-4-yl-4-phenyl-6-[4-[2-(4-phenylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazine
CID 139442228
2-(4-dibenzofuran-4-ylphenyl)-4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazine;2-[3,5-di(dibenzofuran-4-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;3-[4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
CID 159714713

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]benzonitrile?
The IUPAC name of 4-[4-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]benzonitrile (CID 139381456) is 4-[4-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]benzonitrile.
What is the SMILES notation for 4-[4-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]benzonitrile?
The canonical SMILES for 4-[4-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]benzonitrile is N#Cc1ccc(-c2ccc(-c3ccc4c(oc5ccccc54)c3-c3nc(-c4ccccc4)nc(-c4cccc5c4oc4ccccc45)n3)cc2)cc1.
What is the InChIKey of 4-[4-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]benzonitrile?
The InChIKey is OTEAYRKIWGGRKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H26N4O2/c47-27-28-17-19-29(20-18-28)30-21-23-31(24-22-30)33-25-26-37-35-12-5-7-16-40(35)52-43(37)41(33)46-49-44(32-9-2-1-3-10-32)48-45(50-46)38-14-8-13-36-34-11-4-6-15-39(34)51-42(36)38/h1-26H.
What are the key properties of 4-[4-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]benzonitrile?
4-[4-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]benzonitrile has a molecular weight of 666.74 g/mol, XLogP of 11.88, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]benzonitrile is sourced from PubChem (CID 139381456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).