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

C34H24N4 — CID 135247181

IUPAC4-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]cyclohexa-2,4-dien-1-yl]benzonitrile
SMILESN#Cc1ccc(C2C=CC(c3ccccc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)=CC2)cc1
InChIInChI=1S/C34H24N4/c35-23-24-15-17-25(18-16-24)26-19-21-27(22-20-26)30-13-7-8-14-31(30)34-37-32(28-9-3-1-4-10-28)36-33(38-34)29-11-5-2-6-12-29/h1-19,21-22,26H,20H2
InChIKeyXDAGXMNTVRKQKV-UHFFFAOYSA-N
MW488.59 g/mol
LogP7.87
Rot. Bonds5

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

4-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]cyclohexa-2,4-dien-1-yl]benzonitrile (PubChem CID 135247181) has the molecular formula C34H24N4 and a molecular weight of 488.59 g/mol. Its IUPAC name is 4-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]cyclohexa-2,4-dien-1-yl]benzonitrile.

Molecular Properties

Compound Name4-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]cyclohexa-2,4-dien-1-yl]benzonitrile
PubChem CID135247181
Molecular FormulaC34H24N4
Molecular Weight488.59 g/mol
Exact Mass488.20
IUPAC Name4-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]cyclohexa-2,4-dien-1-yl]benzonitrile
SMILESN#Cc1ccc(C2C=CC(c3ccccc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)=CC2)cc1
InChIInChI=1S/C34H24N4/c35-23-24-15-17-25(18-16-24)26-19-21-27(22-20-26)30-13-7-8-14-31(30)34-37-32(28-9-3-1-4-10-28)36-33(38-34)29-11-5-2-6-12-29/h1-19,21-22,26H,20H2
InChIKeyXDAGXMNTVRKQKV-UHFFFAOYSA-N
XLogP7.87
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.59
LogP ≤ 57.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-diphenyl-6-[4-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-7-yl)cyclohexa-2,4-dien-1-yl]phenyl]-1,3,5-triazine
CID 167113778
4-[4-[4-[4-[4-[4-[4-[4-[4-[4-(4-cyanophenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzonitrile
CID 155476468
4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile
CID 169297037
2-(4-dibenzofuran-1-ylphenyl)-4-phenyl-6-(4-phenylcyclohexa-1,5-dien-1-yl)-1,3,5-triazine
CID 167008238
4-[1-[4-(2,6-diphenylpyrimidin-4-yl)cyclohexa-2,4-dien-1-yl]dibenzofuran-2-yl]benzonitrile
CID 167000992
4-[4-[4-[4-(2,3-diphenylphenyl)phenyl]-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 169297243
4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]benzonitrile
CID 138750094
2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-[4-(4-phenylcyclohexa-1,5-dien-1-yl)naphthalen-1-yl]-1,3,5-triazine
CID 177112927
2-[9,9-dimethyl-6'-[4-[4-(3-phenylphenyl)phenyl]cyclohexa-2,4-dien-1-yl]spiro[anthracene-10,9'-fluorene]-4'-yl]-4,6-diphenyl-1,3,5-triazine
CID 155475793
2-dibenzofuran-1-yl-4-(4-dibenzofuran-1-ylcyclohexa-1,5-dien-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 167008068
4-[4-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]phenyl]benzonitrile
CID 146326937
2,4-diphenyl-6-[5-(4-pyridin-2-ylcyclohexa-1,5-dien-1-yl)naphthalen-2-yl]-1,3,5-triazine
CID 134444959

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]cyclohexa-2,4-dien-1-yl]benzonitrile?
The IUPAC name of 4-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]cyclohexa-2,4-dien-1-yl]benzonitrile (CID 135247181) is 4-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]cyclohexa-2,4-dien-1-yl]benzonitrile.
What is the SMILES notation for 4-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]cyclohexa-2,4-dien-1-yl]benzonitrile?
The canonical SMILES for 4-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]cyclohexa-2,4-dien-1-yl]benzonitrile is N#Cc1ccc(C2C=CC(c3ccccc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)=CC2)cc1.
What is the InChIKey of 4-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]cyclohexa-2,4-dien-1-yl]benzonitrile?
The InChIKey is XDAGXMNTVRKQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H24N4/c35-23-24-15-17-25(18-16-24)26-19-21-27(22-20-26)30-13-7-8-14-31(30)34-37-32(28-9-3-1-4-10-28)36-33(38-34)29-11-5-2-6-12-29/h1-19,21-22,26H,20H2.
What are the key properties of 4-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]cyclohexa-2,4-dien-1-yl]benzonitrile?
4-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]cyclohexa-2,4-dien-1-yl]benzonitrile has a molecular weight of 488.59 g/mol, XLogP of 7.87, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]cyclohexa-2,4-dien-1-yl]benzonitrile is sourced from PubChem (CID 135247181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).