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

C36H24N4O — CID 163664493

IUPAC4-[4-[4-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-1-yl]phenyl]benzonitrile
SMILESCc1nc(C)nc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(C#N)cc5)cc4)c4c3oc3ccccc34)cc2)n1
InChIInChI=1S/C36H24N4O/c1-22-38-23(2)40-36(39-22)29-17-15-28(16-18-29)31-20-19-30(34-32-5-3-4-6-33(32)41-35(31)34)27-13-11-26(12-14-27)25-9-7-24(21-37)8-10-25/h3-20H,1-2H3
InChIKeyIXFRGNNOMFBRHB-UHFFFAOYSA-N
MW528.62 g/mol
LogP8.93
Rot. Bonds4

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

4-[4-[4-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-1-yl]phenyl]benzonitrile (PubChem CID 163664493) has the molecular formula C36H24N4O and a molecular weight of 528.62 g/mol. Its IUPAC name is 4-[4-[4-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-1-yl]phenyl]benzonitrile.

Molecular Properties

Compound Name4-[4-[4-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-1-yl]phenyl]benzonitrile
PubChem CID163664493
Molecular FormulaC36H24N4O
Molecular Weight528.62 g/mol
Exact Mass528.20
IUPAC Name4-[4-[4-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-1-yl]phenyl]benzonitrile
SMILESCc1nc(C)nc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(C#N)cc5)cc4)c4c3oc3ccccc34)cc2)n1
InChIInChI=1S/C36H24N4O/c1-22-38-23(2)40-36(39-22)29-17-15-28(16-18-29)31-20-19-30(34-32-5-3-4-6-33(32)41-35(31)34)27-13-11-26(12-14-27)25-9-7-24(21-37)8-10-25/h3-20H,1-2H3
InChIKeyIXFRGNNOMFBRHB-UHFFFAOYSA-N
XLogP8.93
TPSA75.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.62
LogP ≤ 58.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

2,4-diphenyl-6-[4-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 142491264
4-[5-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]naphtho[1,2-b][1]benzofuran-7-yl]benzonitrile
CID 164835293
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
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-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]phenyl]benzonitrile
CID 146326937
4-[4-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1,3,5,7,9,11,13,15,17,19-decaen-11-yl]naphthalen-1-yl]benzonitrile
CID 164784991
4-[4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1,3,5,7,9,11,13,15,17,19-decaen-11-yl]benzonitrile
CID 164784995
4-[2-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzonitrile
CID 139381452
2,4-diphenyl-6-[3-(4-phenyldibenzofuran-1-yl)phenyl]-1,3,5-triazine
CID 130289437
4-[5-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]naphtho[1,2-b][1]benzofuran-7-yl]benzonitrile
CID 164834764
3-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]benzonitrile
CID 139381584

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-1-yl]phenyl]benzonitrile?
The IUPAC name of 4-[4-[4-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-1-yl]phenyl]benzonitrile (CID 163664493) is 4-[4-[4-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-1-yl]phenyl]benzonitrile.
What is the SMILES notation for 4-[4-[4-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-1-yl]phenyl]benzonitrile?
The canonical SMILES for 4-[4-[4-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-1-yl]phenyl]benzonitrile is Cc1nc(C)nc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(C#N)cc5)cc4)c4c3oc3ccccc34)cc2)n1.
What is the InChIKey of 4-[4-[4-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-1-yl]phenyl]benzonitrile?
The InChIKey is IXFRGNNOMFBRHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24N4O/c1-22-38-23(2)40-36(39-22)29-17-15-28(16-18-29)31-20-19-30(34-32-5-3-4-6-33(32)41-35(31)34)27-13-11-26(12-14-27)25-9-7-24(21-37)8-10-25/h3-20H,1-2H3.
What are the key properties of 4-[4-[4-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-1-yl]phenyl]benzonitrile?
4-[4-[4-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-1-yl]phenyl]benzonitrile has a molecular weight of 528.62 g/mol, XLogP of 8.93, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-1-yl]phenyl]benzonitrile is sourced from PubChem (CID 163664493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).