2-[4-(9-dibenzothiophen-2-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazin-2-yl]benzonitrile

C40H22N4OS — CID 149154868

IUPAC2-[4-(9-dibenzothiophen-2-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
SMILESN#Cc1ccccc1-c1nc(-c2ccccc2)nc(-c2cccc3c2oc2cccc(-c4ccc5sc6ccccc6c5c4)c23)n1
InChIInChI=1S/C40H22N4OS/c41-23-26-12-4-5-13-28(26)39-42-38(24-10-2-1-3-11-24)43-40(44-39)31-17-8-16-30-36-27(15-9-18-33(36)45-37(30)31)25-20-21-35-32(22-25)29-14-6-7-19-34(29)46-35/h1-22H
InChIKeyRNNRDBKXEYYJGV-UHFFFAOYSA-N
MW606.71 g/mol
LogP10.68
Rot. Bonds4

About 2-[4-(9-dibenzothiophen-2-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazin-2-yl]benzonitrile

2-[4-(9-dibenzothiophen-2-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazin-2-yl]benzonitrile (PubChem CID 149154868) has the molecular formula C40H22N4OS and a molecular weight of 606.71 g/mol. Its IUPAC name is 2-[4-(9-dibenzothiophen-2-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazin-2-yl]benzonitrile.

Molecular Properties

Compound Name2-[4-(9-dibenzothiophen-2-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
PubChem CID149154868
Molecular FormulaC40H22N4OS
Molecular Weight606.71 g/mol
Exact Mass606.15
IUPAC Name2-[4-(9-dibenzothiophen-2-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
SMILESN#Cc1ccccc1-c1nc(-c2ccccc2)nc(-c2cccc3c2oc2cccc(-c4ccc5sc6ccccc6c5c4)c23)n1
InChIInChI=1S/C40H22N4OS/c41-23-26-12-4-5-13-28(26)39-42-38(24-10-2-1-3-11-24)43-40(44-39)31-17-8-16-30-36-27(15-9-18-33(36)45-37(30)31)25-20-21-35-32(22-25)29-14-6-7-19-34(29)46-35/h1-22H
InChIKeyRNNRDBKXEYYJGV-UHFFFAOYSA-N
XLogP10.68
TPSA75.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.71
LogP ≤ 510.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[4-(9-dibenzothiophen-2-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazin-2-yl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-dibenzofuran-2-yl-4-(9-dibenzothiophen-2-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazine
CID 148673756
2-[4-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 148516299
2-dibenzothiophen-2-yl-4-(6-dibenzothiophen-1-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166742461
4-[9-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 149212477
2-(3-dibenzofuran-1-ylphenyl)-4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazine
CID 166743455
2-(9-dibenzothiophen-2-yldibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 166952247
2-dibenzothiophen-3-yl-4-[3-(9-phenyldibenzofuran-4-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 168850189
2-dibenzofuran-4-yl-4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-6-phenyl-1,3,5-triazine
CID 155050381
2-phenyl-4-(9-phenyldibenzofuran-4-yl)-6-(3-phenyldibenzothiophen-1-yl)-1,3,5-triazine
CID 176831328
2-dibenzofuran-4-yl-4-phenyl-6-[8-[3-(2-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine
CID 134198584
2-phenyl-4-[9-(2-phenyldibenzothiophen-4-yl)dibenzofuran-4-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 170199717
2-(9-dibenzofuran-3-yldibenzofuran-1-yl)-4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazine
CID 167007548

Frequently Asked Questions

What is the IUPAC name of 2-[4-(9-dibenzothiophen-2-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazin-2-yl]benzonitrile?
The IUPAC name of 2-[4-(9-dibenzothiophen-2-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazin-2-yl]benzonitrile (CID 149154868) is 2-[4-(9-dibenzothiophen-2-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazin-2-yl]benzonitrile.
What is the SMILES notation for 2-[4-(9-dibenzothiophen-2-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazin-2-yl]benzonitrile?
The canonical SMILES for 2-[4-(9-dibenzothiophen-2-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazin-2-yl]benzonitrile is N#Cc1ccccc1-c1nc(-c2ccccc2)nc(-c2cccc3c2oc2cccc(-c4ccc5sc6ccccc6c5c4)c23)n1.
What is the InChIKey of 2-[4-(9-dibenzothiophen-2-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazin-2-yl]benzonitrile?
The InChIKey is RNNRDBKXEYYJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H22N4OS/c41-23-26-12-4-5-13-28(26)39-42-38(24-10-2-1-3-11-24)43-40(44-39)31-17-8-16-30-36-27(15-9-18-33(36)45-37(30)31)25-20-21-35-32(22-25)29-14-6-7-19-34(29)46-35/h1-22H.
What are the key properties of 2-[4-(9-dibenzothiophen-2-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazin-2-yl]benzonitrile?
2-[4-(9-dibenzothiophen-2-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazin-2-yl]benzonitrile has a molecular weight of 606.71 g/mol, XLogP of 10.68, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(9-dibenzothiophen-2-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazin-2-yl]benzonitrile is sourced from PubChem (CID 149154868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).