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

C100H68N14O3 — CID 162023345

IUPAC2-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
SMILESCc1nc(-c2ccc(-c3ccccc3)cc2)nc(-c2cccc3c2oc2ccccc23)n1.Cc1nc(-c2ccc(C#N)cc2)nc(-c2ccc(-c3ccncc3)cc2)n1.Cc1nc(-c2cccc(-c3ccccc3)c2)nc(-c2cccc3c2oc2ccccc23)n1.Cc1nc(-c2ccccc2)nc(-c2cccc3c2oc2ccccc23)n1
InChIInChI=1S/2C28H19N3O.C22H15N5.C22H15N3O/c1-18-29-27(21-12-7-11-20(17-21)19-9-3-2-4-10-19)31-28(30-18)24-15-8-14-23-22-13-5-6-16-25(22)32-26(23)24;1-18-29-27(21-16-14-20(15-17-21)19-8-3-2-4-9-19)31-28(30-18)24-12-7-11-23-22-10-5-6-13-25(22)32-26(23)24;1-15-25-21(19-4-2-16(14-23)3-5-19)27-22(26-15)20-8-6-17(7-9-20)18-10-12-24-13-11-18;1-14-23-21(15-8-3-2-4-9-15)25-22(24-14)18-12-7-11-17-16-10-5-6-13-19(16)26-20(17)18/h2*2-17H,1H3;2-13H,1H3;2-13H,1H3
InChIKeyYVAOLENWSBLCHX-UHFFFAOYSA-N
MW1513.74 g/mol
LogP24.02
Rot. Bonds11

About 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

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 (PubChem CID 162023345) has the molecular formula C100H68N14O3 and a molecular weight of 1513.74 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID162023345
Molecular FormulaC100H68N14O3
Molecular Weight1513.74 g/mol
Exact Mass1512.56
IUPAC Name2-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
SMILESCc1nc(-c2ccc(-c3ccccc3)cc2)nc(-c2cccc3c2oc2ccccc23)n1.Cc1nc(-c2ccc(C#N)cc2)nc(-c2ccc(-c3ccncc3)cc2)n1.Cc1nc(-c2cccc(-c3ccccc3)c2)nc(-c2cccc3c2oc2ccccc23)n1.Cc1nc(-c2ccccc2)nc(-c2cccc3c2oc2ccccc23)n1
InChIInChI=1S/2C28H19N3O.C22H15N5.C22H15N3O/c1-18-29-27(21-12-7-11-20(17-21)19-9-3-2-4-10-19)31-28(30-18)24-15-8-14-23-22-13-5-6-16-25(22)32-26(23)24;1-18-29-27(21-16-14-20(15-17-21)19-8-3-2-4-9-19)31-28(30-18)24-12-7-11-23-22-10-5-6-13-25(22)32-26(23)24;1-15-25-21(19-4-2-16(14-23)3-5-19)27-22(26-15)20-8-6-17(7-9-20)18-10-12-24-13-11-18;1-14-23-21(15-8-3-2-4-9-15)25-22(24-14)18-12-7-11-17-16-10-5-6-13-19(16)26-20(17)18/h2*2-17H,1H3;2-13H,1H3;2-13H,1H3
InChIKeyYVAOLENWSBLCHX-UHFFFAOYSA-N
XLogP24.02
TPSA230.78 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds11
Heavy Atoms117
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001513.74
LogP ≤ 524.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze 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 with MolForge

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Related Compounds

2-dibenzofuran-4-yl-4-methyl-6-pyridin-4-yl-1,3,5-triazine
CID 155603381
2-[6,8-bis(3-pyridin-4-ylphenyl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;4-[4-(4-cyanophenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzonitrile;4-[4-[4-[4-(4-cyanophenyl)phenyl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]benzonitrile
CID 160856208
2-dibenzofuran-4-yl-4-phenyl-6-[3-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 155481524
4-[4-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]benzonitrile
CID 139381456
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
2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine
CID 130261983
2-(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 168850178
3-[4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]benzonitrile
CID 139381434
3-[3-[4-dibenzofuran-4-yl-6-[9-(3-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 168774782
4-(3-dibenzofuran-4-ylphenyl)benzonitrile
CID 90393148
2-chloro-4-dibenzofuran-4-yl-6-[3-(4-methylphenyl)phenyl]-1,3,5-triazine
CID 169278916
2-dibenzofuran-4-yl-4-(3-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 155481453

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1nc(-c2ccc(-c3ccccc3)cc2)nc(-c2cccc3c2oc2ccccc23)n1.Cc1nc(-c2ccc(C#N)cc2)nc(-c2ccc(-c3ccncc3)cc2)n1.Cc1nc(-c2cccc(-c3ccccc3)c2)nc(-c2cccc3c2oc2ccccc23)n1.Cc1nc(-c2ccccc2)nc(-c2cccc3c2oc2ccccc23)n1.
What is the InChIKey of 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?
The InChIKey is YVAOLENWSBLCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C28H19N3O.C22H15N5.C22H15N3O/c1-18-29-27(21-12-7-11-20(17-21)19-9-3-2-4-10-19)31-28(30-18)24-15-8-14-23-22-13-5-6-16-25(22)32-26(23)24;1-18-29-27(21-16-14-20(15-17-21)19-8-3-2-4-9-19)31-28(30-18)24-12-7-11-23-22-10-5-6-13-25(22)32-26(23)24;1-15-25-21(19-4-2-16(14-23)3-5-19)27-22(26-15)20-8-6-17(7-9-20)18-10-12-24-13-11-18;1-14-23-21(15-8-3-2-4-9-15)25-22(24-14)18-12-7-11-17-16-10-5-6-13-19(16)26-20(17)18/h2*2-17H,1H3;2-13H,1H3;2-13H,1H3.
What are the key properties of 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?
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 has a molecular weight of 1513.74 g/mol, XLogP of 24.02, 11 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 162023345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).