2-phenyl-4-(9-phenyldibenzofuran-4-yl)-6-(3-phenyldibenzothiophen-1-yl)-1,3,5-triazine

C45H27N3OS — CID 176831328

IUPAC2-phenyl-4-(9-phenyldibenzofuran-4-yl)-6-(3-phenyldibenzothiophen-1-yl)-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4cccc5c4oc4cccc(-c6ccccc6)c45)n3)c3c(c2)sc2ccccc23)cc1
InChIInChI=1S/C45H27N3OS/c1-4-14-28(15-5-1)31-26-36(41-33-20-10-11-25-38(33)50-39(41)27-31)45-47-43(30-18-8-3-9-19-30)46-44(48-45)35-23-12-22-34-40-32(29-16-6-2-7-17-29)21-13-24-37(40)49-42(34)35/h1-27H
InChIKeyJAYHSGYWKDXQTR-UHFFFAOYSA-N
MW657.80 g/mol
LogP12.47
Rot. Bonds5

About 2-phenyl-4-(9-phenyldibenzofuran-4-yl)-6-(3-phenyldibenzothiophen-1-yl)-1,3,5-triazine

2-phenyl-4-(9-phenyldibenzofuran-4-yl)-6-(3-phenyldibenzothiophen-1-yl)-1,3,5-triazine (PubChem CID 176831328) has the molecular formula C45H27N3OS and a molecular weight of 657.80 g/mol. Its IUPAC name is 2-phenyl-4-(9-phenyldibenzofuran-4-yl)-6-(3-phenyldibenzothiophen-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-phenyl-4-(9-phenyldibenzofuran-4-yl)-6-(3-phenyldibenzothiophen-1-yl)-1,3,5-triazine
PubChem CID176831328
Molecular FormulaC45H27N3OS
Molecular Weight657.80 g/mol
Exact Mass657.19
IUPAC Name2-phenyl-4-(9-phenyldibenzofuran-4-yl)-6-(3-phenyldibenzothiophen-1-yl)-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4cccc5c4oc4cccc(-c6ccccc6)c45)n3)c3c(c2)sc2ccccc23)cc1
InChIInChI=1S/C45H27N3OS/c1-4-14-28(15-5-1)31-26-36(41-33-20-10-11-25-38(33)50-39(41)27-31)45-47-43(30-18-8-3-9-19-30)46-44(48-45)35-23-12-22-34-40-32(29-16-6-2-7-17-29)21-13-24-37(40)49-42(34)35/h1-27H
InChIKeyJAYHSGYWKDXQTR-UHFFFAOYSA-N
XLogP12.47
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500657.80
LogP ≤ 512.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-diphenyl-6-[6-[3-(3-phenylphenyl)dibenzothiophen-1-yl]dibenzofuran-1-yl]-1,3,5-triazine
CID 170201772
2-dibenzofuran-3-yl-4-phenyl-6-[9-(1-phenyldibenzothiophen-3-yl)dibenzofuran-4-yl]-1,3,5-triazine
CID 170378841
2-dibenzofuran-4-yl-4-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-3-yl]-6-phenyl-1,3,5-triazine
CID 153289611
2,4-diphenyl-6-[7-(1-phenyldibenzothiophen-3-yl)dibenzofuran-4-yl]-1,3,5-triazine
CID 170204172
2-dibenzothiophen-3-yl-4-[3-(9-phenyldibenzofuran-4-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 168850189
2-phenyl-4-[6-(3-phenyldibenzothiophen-1-yl)dibenzofuran-4-yl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 170206847
2,4-diphenyl-6-[9-(4-phenyldibenzothiophen-1-yl)dibenzofuran-4-yl]-1,3,5-triazine
CID 170198434
2-phenyl-4-[9-(2-phenyldibenzothiophen-4-yl)dibenzofuran-4-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 170199717
2-dibenzothiophen-1-yl-4-phenyl-6-(4-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-1,3,5-triazine
CID 176853629
2,4-diphenyl-6-[9-(3-phenyldibenzothiophen-1-yl)dibenzofuran-3-yl]-1,3,5-triazine
CID 170198709
2-(2,3,4,5,6-pentadeuteriophenyl)-4-[9-(3-phenyldibenzothiophen-1-yl)dibenzofuran-4-yl]-6-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine
CID 170514697
2-dibenzothiophen-4-yl-4-(6,8-diphenyldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 153355157

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(9-phenyldibenzofuran-4-yl)-6-(3-phenyldibenzothiophen-1-yl)-1,3,5-triazine?
The IUPAC name of 2-phenyl-4-(9-phenyldibenzofuran-4-yl)-6-(3-phenyldibenzothiophen-1-yl)-1,3,5-triazine (CID 176831328) is 2-phenyl-4-(9-phenyldibenzofuran-4-yl)-6-(3-phenyldibenzothiophen-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2-phenyl-4-(9-phenyldibenzofuran-4-yl)-6-(3-phenyldibenzothiophen-1-yl)-1,3,5-triazine?
The canonical SMILES for 2-phenyl-4-(9-phenyldibenzofuran-4-yl)-6-(3-phenyldibenzothiophen-1-yl)-1,3,5-triazine is c1ccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4cccc5c4oc4cccc(-c6ccccc6)c45)n3)c3c(c2)sc2ccccc23)cc1.
What is the InChIKey of 2-phenyl-4-(9-phenyldibenzofuran-4-yl)-6-(3-phenyldibenzothiophen-1-yl)-1,3,5-triazine?
The InChIKey is JAYHSGYWKDXQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H27N3OS/c1-4-14-28(15-5-1)31-26-36(41-33-20-10-11-25-38(33)50-39(41)27-31)45-47-43(30-18-8-3-9-19-30)46-44(48-45)35-23-12-22-34-40-32(29-16-6-2-7-17-29)21-13-24-37(40)49-42(34)35/h1-27H.
What are the key properties of 2-phenyl-4-(9-phenyldibenzofuran-4-yl)-6-(3-phenyldibenzothiophen-1-yl)-1,3,5-triazine?
2-phenyl-4-(9-phenyldibenzofuran-4-yl)-6-(3-phenyldibenzothiophen-1-yl)-1,3,5-triazine has a molecular weight of 657.80 g/mol, XLogP of 12.47, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-(9-phenyldibenzofuran-4-yl)-6-(3-phenyldibenzothiophen-1-yl)-1,3,5-triazine is sourced from PubChem (CID 176831328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).