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

C40H24N4O — CID 139381452

IUPAC4-[2-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzonitrile
SMILESN#Cc1ccc(-c2c(-c3nc(-c4ccccc4)nc(-c4ccccc4-c4ccccc4)n3)ccc3oc4ccccc4c23)cc1
InChIInChI=1S/C40H24N4O/c41-25-26-19-21-28(22-20-26)36-33(23-24-35-37(36)32-17-9-10-18-34(32)45-35)40-43-38(29-13-5-2-6-14-29)42-39(44-40)31-16-8-7-15-30(31)27-11-3-1-4-12-27/h1-24H
InChIKeyRDPWNBKCXWHUFN-UHFFFAOYSA-N
MW576.66 g/mol
LogP9.98
Rot. Bonds5

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

4-[2-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzonitrile (PubChem CID 139381452) has the molecular formula C40H24N4O and a molecular weight of 576.66 g/mol. Its IUPAC name is 4-[2-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzonitrile.

Molecular Properties

Compound Name4-[2-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzonitrile
PubChem CID139381452
Molecular FormulaC40H24N4O
Molecular Weight576.66 g/mol
Exact Mass576.20
IUPAC Name4-[2-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzonitrile
SMILESN#Cc1ccc(-c2c(-c3nc(-c4ccccc4)nc(-c4ccccc4-c4ccccc4)n3)ccc3oc4ccccc4c23)cc1
InChIInChI=1S/C40H24N4O/c41-25-26-19-21-28(22-20-26)36-33(23-24-35-37(36)32-17-9-10-18-34(32)45-35)40-43-38(29-13-5-2-6-14-29)42-39(44-40)31-16-8-7-15-30(31)27-11-3-1-4-12-27/h1-24H
InChIKeyRDPWNBKCXWHUFN-UHFFFAOYSA-N
XLogP9.98
TPSA75.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.66
LogP ≤ 59.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-diphenyl-6-(2-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 166742294
4-[4-(2-phenylphenyl)-6-[4-[10-(4-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-1,3,5-triazin-2-yl]benzonitrile
CID 156547530
3-[4-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile
CID 177112707
4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]benzonitrile
CID 138750094
2-naphthalen-2-yl-4-(1-phenyldibenzofuran-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176616808
2,4-diphenyl-6-(1-triphenylen-2-yldibenzofuran-2-yl)-1,3,5-triazine
CID 142491356
4-[4-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]benzonitrile
CID 139381456
4-[4-[4-(9-phenyldibenzofuran-3-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 168774820
4-[4-[4-[4-(2,3-diphenylphenyl)phenyl]-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 169297243
4-[4-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]phenyl]benzonitrile
CID 146326937
2-naphthalen-2-yl-4-phenyl-6-[1-(6-phenylnaphthalen-2-yl)dibenzofuran-2-yl]-1,3,5-triazine
CID 163653922
2,4-diphenyl-6-[1-(4-phenylphenyl)dibenzofuran-2-yl]-1,3,5-triazine;2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 165029725

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzonitrile?
The IUPAC name of 4-[2-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzonitrile (CID 139381452) is 4-[2-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzonitrile.
What is the SMILES notation for 4-[2-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzonitrile?
The canonical SMILES for 4-[2-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzonitrile is N#Cc1ccc(-c2c(-c3nc(-c4ccccc4)nc(-c4ccccc4-c4ccccc4)n3)ccc3oc4ccccc4c23)cc1.
What is the InChIKey of 4-[2-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzonitrile?
The InChIKey is RDPWNBKCXWHUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24N4O/c41-25-26-19-21-28(22-20-26)36-33(23-24-35-37(36)32-17-9-10-18-34(32)45-35)40-43-38(29-13-5-2-6-14-29)42-39(44-40)31-16-8-7-15-30(31)27-11-3-1-4-12-27/h1-24H.
What are the key properties of 4-[2-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzonitrile?
4-[2-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzonitrile has a molecular weight of 576.66 g/mol, XLogP of 9.98, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzonitrile is sourced from PubChem (CID 139381452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).